data_1qlk_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 1qlk _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 ' 1' ' ' SER . . . . . . . . . . . . . 29.2 t . . . . . 0 N--CA 1.49 1.539 0 CA-C-O 121.531 0.682 . . . . 0.0 109.759 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 13.6 tm-20 -60.03 -36.15 76.65 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.604 -0.685 . . . . 0.0 109.932 -179.72 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . 0.501 ' CD2' ' N ' ' A' ' 3' ' ' LEU . 3.2 mm? -59.11 -39.07 81.12 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.319 -0.863 . . . . 0.0 109.799 -179.02 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 70.8 mm-40 -60.0 -40.41 89.13 Favored 'General case' 0 C--N 1.301 -1.543 0 O-C-N 120.799 -1.188 . . . . 0.0 109.359 -179.739 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 38.6 ttpt -69.97 -40.03 75.62 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 120.987 -1.07 . . . . 0.0 109.984 179.37 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -69.59 -40.49 76.67 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.3 -0.875 . . . . 0.0 110.097 -179.14 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 6.7 mmt -61.47 -40.44 94.55 Favored 'General case' 0 N--CA 1.486 1.363 0 O-C-N 121.044 -1.035 . . . . 0.0 108.766 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 79.3 t -69.92 -41.98 79.64 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.442 0 O-C-N 121.423 -0.798 . . . . 0.0 109.536 179.44 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -66.42 -42.42 87.79 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.309 -0.869 . . . . 0.0 110.33 -179.333 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 63.4 tp -60.0 -50.04 75.31 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.043 -1.036 . . . . 0.0 109.256 -179.935 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 93.4 mt -70.3 -40.84 78.35 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.593 0 O-C-N 121.268 -0.895 . . . . 0.0 110.551 179.865 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 62.2 t0 -60.05 -47.57 85.32 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.347 -0.845 . . . . 0.0 110.73 -178.584 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 54.3 t -60.2 -42.52 90.57 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.523 0 O-C-N 121.091 -1.006 . . . . 0.0 110.049 -178.812 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 64.9 t80 -59.95 -44.86 94.14 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.141 -0.974 . . . . 0.0 110.665 -179.545 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 11.0 t-80 -63.85 -52.12 61.54 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.022 -1.049 . . . . 0.0 110.544 -178.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 28.5 mt-30 -69.96 -40.05 75.64 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.379 -0.825 . . . . 0.0 111.301 -178.859 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 24.0 t80 -69.92 -43.44 71.65 Favored 'General case' 0 N--CA 1.495 1.793 0 O-C-N 121.007 -1.058 . . . . 0.0 110.586 -178.468 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 54.3 p -75.02 -19.92 59.84 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.274 -0.891 . . . . 0.0 110.235 -179.415 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -77.29 -2.3 78.56 Favored Glycine 0 N--CA 1.493 2.468 0 C-N-CA 120.111 -1.043 . . . . 0.0 110.841 -178.752 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . 0.543 ' NH2' ' OE1' ' A' ' 34' ' ' GLU . 38.9 ttp180 -60.01 -41.75 92.83 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 120.825 -1.397 . . . . 0.0 109.636 -179.673 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . 0.452 ' OE1' ' N ' ' A' ' 21' ' ' GLU . 3.1 mp0 -100.97 164.98 11.56 Favored 'General case' 0 N--CA 1.495 1.803 0 O-C-N 121.31 -0.869 . . . . 0.0 109.497 -179.499 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -55.76 -16.6 12.32 Favored Glycine 0 N--CA 1.491 2.312 0 N-CA-C 109.628 -1.389 . . . . 0.0 109.628 179.895 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 74.1 m-20 -85.15 104.54 15.13 Favored 'General case' 0 N--CA 1.494 1.757 0 O-C-N 121.184 -1.186 . . . . 0.0 108.716 179.822 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 8.9 ptpp? -107.81 -16.78 14.24 Favored 'General case' 0 N--CA 1.497 1.91 0 O-C-N 121.48 -0.762 . . . . 0.0 110.369 -179.574 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 2.4 t60 -99.96 -7.15 25.5 Favored 'General case' 0 N--CA 1.499 1.979 0 O-C-N 121.148 -0.97 . . . . 0.0 111.436 -178.481 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 40.8 pttt -149.35 160.0 43.79 Favored 'General case' 0 N--CA 1.5 2.034 0 O-C-N 120.654 -1.279 . . . . 0.0 110.55 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 1.5 tp -106.06 135.38 47.63 Favored 'General case' 0 N--CA 1.499 1.996 0 N-CA-C 108.996 -0.742 . . . . 0.0 108.996 -179.477 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 37.4 mmtm -94.84 166.42 11.99 Favored 'General case' 0 N--CA 1.499 2.0 0 O-C-N 121.229 -0.919 . . . . 0.0 110.8 -179.324 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 34.6 mttp -60.99 -41.16 95.95 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.805 -0.56 . . . . 0.0 110.922 -178.671 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 71.7 p -67.17 -40.44 86.6 Favored 'General case' 0 N--CA 1.495 1.799 0 O-C-N 121.052 -1.03 . . . . 0.0 110.462 -178.43 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 39.6 tt0 -61.76 -36.54 81.34 Favored 'General case' 0 C--N 1.3 -1.565 0 O-C-N 121.107 -0.996 . . . . 0.0 109.455 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 56.2 tp -59.92 -43.62 94.81 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.231 -0.918 . . . . 0.0 109.809 -179.343 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 24.4 ttpp -60.18 -41.89 93.85 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 120.926 -1.109 . . . . 0.0 109.276 179.597 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . 0.543 ' OE1' ' NH2' ' A' ' 20' ' ' ARG . 98.8 mt-10 -62.25 -40.09 95.02 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.38 -0.825 . . . . 0.0 110.402 -179.722 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 42.1 tp -59.92 -48.71 80.58 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.172 -0.955 . . . . 0.0 109.179 -178.521 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 88.4 mt -65.38 -39.98 86.95 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.554 0 O-C-N 121.196 -0.94 . . . . 0.0 109.386 179.714 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -69.27 -23.21 63.81 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.439 -0.788 . . . . 0.0 110.758 -179.324 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 1.1 t30 -48.93 -75.76 0.03 OUTLIER 'General case' 0 N--CA 1.494 1.765 0 O-C-N 120.888 -1.133 . . . . 0.0 110.006 -178.937 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 25.0 tp10 -163.04 19.7 0.08 Allowed 'General case' 0 N--CA 1.493 1.686 0 O-C-N 120.877 -1.139 . . . . 0.0 109.367 179.821 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 85.0 mt -91.91 8.12 38.91 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.116 -0.99 . . . . 0.0 108.832 -179.729 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' SER . . . . . 0.412 ' O ' ' O ' ' A' ' 44' ' ' LEU . 83.8 p -60.31 -13.64 13.98 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.615 -0.678 . . . . 0.0 110.036 -179.642 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 38.4 t-80 -59.95 -47.7 84.73 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.031 -1.043 . . . . 0.0 109.641 -179.67 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 85.7 m-85 -70.04 -39.97 75.43 Favored 'General case' 0 N--CA 1.488 1.457 0 O-C-N 121.22 -0.925 . . . . 0.0 109.583 179.899 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.412 ' O ' ' O ' ' A' ' 41' ' ' SER . 66.6 mt -123.78 130.08 52.07 Favored 'General case' 0 N--CA 1.502 2.16 0 O-C-N 121.564 -0.71 . . . . 0.0 109.557 -179.471 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 57.0 tt0 -130.36 26.8 5.09 Favored 'General case' 0 N--CA 1.503 2.181 0 O-C-N 121.139 -0.975 . . . . 0.0 109.049 179.599 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 6.2 tp10 -101.69 12.91 36.33 Favored 'General case' 0 N--CA 1.501 2.084 0 O-C-N 121.3 -0.875 . . . . 0.0 110.649 -179.043 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 40.3 mm -73.75 127.8 35.83 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.797 0 O-C-N 120.621 -1.299 . . . . 0.0 109.66 -179.416 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . 0.591 ' HZ1' ' CB ' ' A' ' 48' ' ' LYS . 0.0 OUTLIER -159.0 -61.07 0.07 Allowed 'General case' 0 N--CA 1.496 1.869 0 N-CA-C 108.764 -0.828 . . . . 0.0 108.764 179.504 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -100.71 153.87 19.08 Favored 'General case' 0 N--CA 1.495 1.78 0 O-C-N 121.324 -0.86 . . . . 0.0 108.741 179.303 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 59.4 mt-30 -60.07 -28.05 67.48 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.317 -0.865 . . . . 0.0 110.504 -179.559 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 1.6 pp20? -59.99 -33.08 71.47 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.017 -1.052 . . . . 0.0 110.156 -179.024 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 54.4 t -59.98 -46.76 93.71 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.651 0 O-C-N 121.023 -1.048 . . . . 0.0 109.172 -179.762 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 54.6 t -60.12 -45.53 95.65 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.497 0 O-C-N 121.274 -0.891 . . . . 0.0 109.066 179.764 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 63.0 t0 -61.38 -46.72 89.0 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.39 -0.819 . . . . 0.0 109.974 -179.714 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 34.9 tttm -60.14 -43.21 95.89 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.129 -0.982 . . . . 0.0 108.895 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 52.1 t -69.6 -39.98 78.97 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.568 0 O-C-N 121.659 -0.651 . . . . 0.0 110.115 179.765 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 27.3 ttt -59.96 -40.08 87.84 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.249 -0.907 . . . . 0.0 109.888 -178.601 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 86.1 tt0 -63.03 -35.07 79.01 Favored 'General case' 0 C--N 1.298 -1.636 0 O-C-N 121.024 -1.047 . . . . 0.0 109.851 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 59.9 m -60.03 -45.23 93.48 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.318 -0.864 . . . . 0.0 111.376 -177.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -81.71 -8.52 59.71 Favored 'General case' 0 N--CA 1.502 2.166 0 O-C-N 120.583 -1.323 . . . . 0.0 110.266 -179.212 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 79.8 m-20 -76.42 118.17 18.83 Favored 'General case' 0 N--CA 1.495 1.792 0 O-C-N 120.978 -1.076 . . . . 0.0 109.626 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 67.2 mm-40 -94.92 -42.79 8.49 Favored 'General case' 0 N--CA 1.496 1.87 0 O-C-N 121.263 -0.898 . . . . 0.0 109.945 -179.812 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 43.4 p-10 -101.88 0.97 36.39 Favored 'General case' 0 N--CA 1.497 1.908 0 O-C-N 121.339 -0.85 . . . . 0.0 110.062 -179.441 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 49.71 51.48 28.25 Favored Glycine 0 N--CA 1.492 2.393 0 N-CA-C 109.337 -1.505 . . . . 0.0 109.337 179.829 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 38.5 p-10 -84.76 -6.98 59.37 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.242 -1.152 . . . . 0.0 110.219 -179.335 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 88.9 -7.27 82.52 Favored Glycine 0 N--CA 1.494 2.564 0 N-CA-C 109.845 -1.302 . . . . 0.0 109.845 179.618 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 21.4 pt-20 -139.77 159.09 42.96 Favored 'General case' 0 N--CA 1.495 1.79 0 O-C-N 121.148 -1.207 . . . . 0.0 108.775 -179.847 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -112.69 112.99 24.89 Favored 'General case' 0 N--CA 1.499 1.995 0 O-C-N 121.421 -0.799 . . . . 0.0 109.722 -179.298 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 90.1 m-20 -90.54 -177.36 5.02 Favored 'General case' 0 N--CA 1.495 1.782 0 O-C-N 121.513 -0.742 . . . . 0.0 109.436 179.548 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 66.9 t80 -59.99 -40.28 88.66 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.41 -0.806 . . . . 0.0 110.712 -179.642 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 1.5 tm0? -59.96 -43.84 94.8 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.005 -1.059 . . . . 0.0 109.793 -179.716 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 69.6 mt-10 -64.86 -35.31 80.71 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.088 -1.007 . . . . 0.0 110.104 -179.813 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 50.2 t80 -58.48 -40.01 81.56 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.171 -0.956 . . . . 0.0 109.261 -179.685 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 91.2 mmm -59.98 -38.31 82.17 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.11 -0.994 . . . . 0.0 109.125 179.306 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . 0.405 ' O ' ' OG ' ' A' ' 78' ' ' SER . . . -58.34 -40.1 81.24 Favored 'General case' 0 N--CA 1.488 1.453 0 O-C-N 121.293 -0.879 . . . . 0.0 109.576 -179.322 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 70.8 t80 -60.04 -40.01 87.9 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.045 -1.035 . . . . 0.0 109.971 179.514 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 61.1 t -59.99 -42.44 89.58 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.506 0 O-C-N 121.121 -0.987 . . . . 0.0 108.845 -179.892 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' SER . . . . . 0.405 ' OG ' ' O ' ' A' ' 75' ' ' ALA . 81.1 p -61.14 -39.28 89.45 Favored 'General case' 0 N--CA 1.488 1.439 0 O-C-N 121.36 -0.838 . . . . 0.0 108.936 179.036 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 49.3 ttm -60.03 -40.24 88.67 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.65 -0.656 . . . . 0.0 110.498 -179.429 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 64.6 t -67.41 -41.27 86.03 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.666 0 O-C-N 120.936 -1.103 . . . . 0.0 110.278 -179.21 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 81.8 p -69.14 -41.71 76.96 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.061 -1.024 . . . . 0.0 110.772 -178.734 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 82.6 p -71.22 -40.06 71.33 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.087 -1.008 . . . . 0.0 109.74 -179.899 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -69.94 -40.04 75.71 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.327 -0.858 . . . . 0.0 110.68 -179.653 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 15.5 p -67.71 146.61 53.62 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.153 -0.967 . . . . 0.0 110.317 -178.872 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 76.6 m80 -82.22 162.58 22.31 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.469 -0.769 . . . . 0.0 109.824 179.703 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . 0.574 ' C ' ' H ' ' A' ' 88' ' ' PHE . 99.2 mt-10 -89.43 -0.08 57.23 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.38 -0.825 . . . . 0.0 109.229 179.746 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 34.4 t80 -67.47 17.44 0.03 OUTLIER 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.318 -0.864 . . . . 0.0 110.052 -179.492 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . 0.574 ' H ' ' C ' ' A' ' 86' ' ' GLU . 7.6 m-85 . . . . . 0 N--CA 1.492 1.656 0 O-C-N 121.067 -1.021 . . . . 0.0 109.006 179.49 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 31.2 t . . . . . 0 N--CA 1.489 1.484 0 CA-C-O 121.572 0.701 . . . . 0.0 109.596 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 13.6 tm-20 -60.0 -36.45 77.23 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.517 -0.739 . . . . 0.0 109.867 -179.735 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 3' ' ' LEU . . . . . 0.484 ' N ' ' CD2' ' B' ' 3' ' ' LEU . 3.3 mm? -58.71 -39.25 80.28 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.455 -0.778 . . . . 0.0 109.915 -178.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 70.3 mm-40 -59.99 -40.57 89.62 Favored 'General case' 0 C--N 1.3 -1.549 0 O-C-N 120.755 -1.216 . . . . 0.0 109.346 -179.867 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 38.8 ttpt -69.98 -39.97 75.62 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 120.875 -1.141 . . . . 0.0 109.903 179.501 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -69.63 -40.14 76.74 Favored 'General case' 0 N--CA 1.494 1.736 0 O-C-N 121.193 -0.942 . . . . 0.0 110.13 -179.241 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 7' ' ' MET . . . . . . . . . . . . . 6.8 mmt -61.87 -40.22 94.62 Favored 'General case' 0 C--N 1.303 -1.418 0 O-C-N 121.126 -0.983 . . . . 0.0 108.749 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 53.1 t -70.14 -42.05 79.09 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.392 0 O-C-N 121.537 -0.727 . . . . 0.0 109.489 179.419 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -66.69 -42.27 86.76 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.205 -0.934 . . . . 0.0 110.256 -179.34 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 61.9 tp -59.98 -50.07 75.21 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.047 -1.033 . . . . 0.0 109.268 -179.926 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 93.2 mt -70.01 -41.09 79.23 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.681 0 O-C-N 121.299 -0.876 . . . . 0.0 110.549 179.683 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 62.1 t0 -59.99 -47.35 86.19 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.181 -0.95 . . . . 0.0 110.835 -178.641 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 58.7 t -60.31 -42.51 90.92 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.526 0 O-C-N 121.179 -0.951 . . . . 0.0 110.055 -178.861 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 14' ' ' PHE . . . . . . . . . . . . . 63.9 t80 -60.07 -44.56 94.66 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.03 -1.044 . . . . 0.0 110.591 -179.536 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 11.0 t-80 -64.04 -52.21 60.49 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.07 -1.019 . . . . 0.0 110.475 -178.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 28.5 mt-30 -69.98 -39.95 75.65 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.275 -0.891 . . . . 0.0 111.292 -178.829 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 24.3 t80 -69.59 -43.68 72.31 Favored 'General case' 0 N--CA 1.495 1.78 0 O-C-N 121.04 -1.038 . . . . 0.0 110.572 -178.594 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 53.6 p -74.97 -20.0 59.85 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.213 -0.929 . . . . 0.0 110.292 -179.174 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -77.51 -2.07 78.74 Favored Glycine 0 N--CA 1.49 2.265 0 C-N-CA 120.086 -1.054 . . . . 0.0 110.937 -178.867 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 20' ' ' ARG . . . . . 0.539 ' NH2' ' OE1' ' B' ' 34' ' ' GLU . 38.9 ttp180 -60.05 -41.8 93.11 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 120.735 -1.45 . . . . 0.0 109.627 -179.826 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 21' ' ' GLU . . . . . 0.429 ' OE1' ' N ' ' B' ' 21' ' ' GLU . 3.2 mp0 -100.42 165.64 11.35 Favored 'General case' 0 N--CA 1.496 1.862 0 O-C-N 121.327 -0.858 . . . . 0.0 109.486 -179.489 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . -56.34 -16.76 16.0 Favored Glycine 0 N--CA 1.489 2.2 0 N-CA-C 109.556 -1.418 . . . . 0.0 109.556 179.755 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 74.6 m-20 -85.12 104.97 15.49 Favored 'General case' 0 N--CA 1.494 1.756 0 O-C-N 121.076 -1.249 . . . . 0.0 108.77 179.772 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 8.8 ptpp? -108.37 -16.36 14.25 Favored 'General case' 0 N--CA 1.498 1.926 0 O-C-N 121.611 -0.681 . . . . 0.0 110.237 -179.616 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 25' ' ' HIS . . . . . . . . . . . . . 2.5 t60 -99.93 -7.43 25.22 Favored 'General case' 0 N--CA 1.501 2.098 0 O-C-N 121.218 -0.926 . . . . 0.0 111.45 -178.617 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 40.8 pttt -149.33 160.02 43.77 Favored 'General case' 0 N--CA 1.499 1.983 0 O-C-N 120.533 -1.354 . . . . 0.0 110.526 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 1.3 tp -106.36 135.39 47.93 Favored 'General case' 0 N--CA 1.497 1.908 0 N-CA-C 108.818 -0.808 . . . . 0.0 108.818 -179.29 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 37.5 mmtm -94.64 167.17 11.63 Favored 'General case' 0 N--CA 1.499 2.012 0 O-C-N 121.212 -0.93 . . . . 0.0 110.798 -179.179 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 35.7 mttp -61.52 -41.22 97.0 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.86 -0.525 . . . . 0.0 110.93 -178.655 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 63.2 p -67.23 -40.49 86.36 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 121.145 -0.972 . . . . 0.0 110.49 -178.476 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 41.3 tt0 -61.91 -36.47 81.41 Favored 'General case' 0 C--N 1.302 -1.459 0 O-C-N 121.092 -1.005 . . . . 0.0 109.368 -179.868 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 57.8 tp -60.01 -43.28 95.32 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.179 -0.951 . . . . 0.0 109.871 -179.432 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 24.4 ttpp -59.96 -42.14 93.42 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 120.965 -1.084 . . . . 0.0 109.224 179.528 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 34' ' ' GLU . . . . . 0.539 ' OE1' ' NH2' ' B' ' 20' ' ' ARG . 97.6 mt-10 -62.22 -39.99 94.64 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.454 -0.779 . . . . 0.0 110.624 -179.704 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 36.1 tp -60.05 -48.84 80.06 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.152 -0.967 . . . . 0.0 109.135 -178.8 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 91.5 mt -65.03 -39.9 87.22 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.549 0 O-C-N 121.169 -0.957 . . . . 0.0 109.443 179.864 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -69.73 -22.89 63.34 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.409 -0.807 . . . . 0.0 110.774 -179.293 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 1.1 t30 -49.07 -75.6 0.03 OUTLIER 'General case' 0 N--CA 1.493 1.714 0 O-C-N 120.81 -1.181 . . . . 0.0 109.887 -179.048 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 24.7 tp10 -163.38 19.95 0.08 Allowed 'General case' 0 N--CA 1.493 1.702 0 O-C-N 120.989 -1.069 . . . . 0.0 109.365 179.845 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 87.5 mt -91.87 7.98 39.45 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.016 -1.052 . . . . 0.0 108.808 -179.895 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 41' ' ' SER . . . . . 0.429 ' O ' ' O ' ' B' ' 44' ' ' LEU . 81.8 p -60.15 -13.6 12.95 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.644 -0.66 . . . . 0.0 109.998 -179.498 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 42' ' ' HIS . . . . . . . . . . . . . 38.0 t-80 -60.0 -47.57 85.28 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.083 -1.01 . . . . 0.0 109.652 -179.693 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 86.1 m-85 -70.07 -39.93 75.34 Favored 'General case' 0 C--N 1.302 -1.464 0 O-C-N 121.285 -0.885 . . . . 0.0 109.573 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 44' ' ' LEU . . . . . 0.429 ' O ' ' O ' ' B' ' 41' ' ' SER . 53.2 mt -124.16 130.36 52.4 Favored 'General case' 0 N--CA 1.502 2.13 0 O-C-N 121.55 -0.719 . . . . 0.0 109.488 -179.748 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 56.7 tt0 -129.98 26.34 5.22 Favored 'General case' 0 N--CA 1.502 2.141 0 O-C-N 121.233 -0.917 . . . . 0.0 108.941 179.674 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 6.4 tp10 -101.46 13.04 36.21 Favored 'General case' 0 N--CA 1.5 2.068 0 O-C-N 121.245 -0.909 . . . . 0.0 110.778 -178.916 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 40.3 mm -73.88 127.96 36.01 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.815 0 O-C-N 120.628 -1.295 . . . . 0.0 109.652 -179.288 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 48' ' ' LYS . . . . . 0.577 ' CB ' ' HZ1' ' B' ' 48' ' ' LYS . 0.0 OUTLIER -159.01 -60.66 0.07 Allowed 'General case' 0 N--CA 1.496 1.832 0 O-C-N 121.346 -0.846 . . . . 0.0 108.95 179.418 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' B' B ' 49' ' ' GLU . . . . . 0.402 ' H ' ' HG3' ' B' ' 48' ' ' LYS . 44.2 mt-10 -101.3 154.36 18.85 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.162 -0.961 . . . . 0.0 108.477 179.471 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 58.7 mt-30 -60.16 -28.67 68.11 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.163 -0.96 . . . . 0.0 110.479 -179.491 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 1.6 pp20? -59.33 -33.3 70.97 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.117 -0.989 . . . . 0.0 110.263 -179.142 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 54.5 t -60.0 -46.9 93.58 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.615 0 O-C-N 120.918 -1.113 . . . . 0.0 109.106 -179.652 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 53.9 t -60.19 -45.02 96.56 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.445 0 O-C-N 121.246 -0.909 . . . . 0.0 109.311 179.827 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 62.8 t0 -61.6 -46.69 88.76 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.276 -0.89 . . . . 0.0 109.965 -179.731 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 32.0 tttm -60.19 -43.0 96.26 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.207 -0.933 . . . . 0.0 108.928 179.821 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 54.6 t -69.74 -39.89 78.51 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.59 0 O-C-N 121.656 -0.652 . . . . 0.0 109.911 179.788 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 57' ' ' MET . . . . . . . . . . . . . 27.2 ttt -60.1 -39.99 88.07 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.161 -0.962 . . . . 0.0 110.102 -178.54 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 87.3 tt0 -63.36 -34.84 78.59 Favored 'General case' 0 C--N 1.296 -1.726 0 O-C-N 121.183 -0.948 . . . . 0.0 109.725 -179.931 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 62.5 m -60.0 -45.31 93.17 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.177 -0.952 . . . . 0.0 111.291 -178.138 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -81.59 -8.8 59.76 Favored 'General case' 0 N--CA 1.501 2.084 0 O-C-N 120.466 -1.396 . . . . 0.0 110.339 -179.167 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 79.1 m-20 -76.38 118.43 19.06 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 120.856 -1.153 . . . . 0.0 109.574 -179.915 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 67.4 mm-40 -95.09 -42.24 8.7 Favored 'General case' 0 N--CA 1.495 1.778 0 O-C-N 121.293 -0.879 . . . . 0.0 110.016 -179.688 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 43.6 p-10 -102.43 1.55 35.44 Favored 'General case' 0 N--CA 1.496 1.859 0 O-C-N 121.342 -0.849 . . . . 0.0 110.171 -179.658 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 48.86 52.39 21.33 Favored Glycine 0 N--CA 1.492 2.384 0 N-CA-C 109.463 -1.455 . . . . 0.0 109.463 179.867 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 38.0 p-10 -85.46 -6.77 59.17 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.273 -1.134 . . . . 0.0 110.149 -179.236 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 88.92 -7.67 81.56 Favored Glycine 0 N--CA 1.494 2.548 0 N-CA-C 109.72 -1.352 . . . . 0.0 109.72 179.696 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 21.5 pt-20 -139.61 159.58 41.84 Favored 'General case' 0 N--CA 1.495 1.819 0 O-C-N 121.227 -1.161 . . . . 0.0 109.004 -179.871 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 68' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -113.12 112.78 24.4 Favored 'General case' 0 N--CA 1.5 2.036 0 O-C-N 121.498 -0.751 . . . . 0.0 109.799 -179.273 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 90.1 m-20 -90.03 -177.48 5.19 Favored 'General case' 0 N--CA 1.494 1.725 0 O-C-N 121.529 -0.732 . . . . 0.0 109.505 179.489 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 69.7 t80 -59.98 -40.34 88.8 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.397 -0.814 . . . . 0.0 110.58 -179.653 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 1.5 tm0? -60.04 -43.4 95.36 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 120.956 -1.09 . . . . 0.0 109.787 -179.635 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 71.8 mt-10 -65.45 -35.12 79.96 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.103 -0.998 . . . . 0.0 109.991 -179.632 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 73' ' ' PHE . . . . . . . . . . . . . 49.3 t80 -58.54 -40.01 81.78 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.062 -1.024 . . . . 0.0 109.257 -179.869 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 74' ' ' MET . . . . . . . . . . . . . 92.2 mmm -60.06 -37.91 81.27 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.154 -0.966 . . . . 0.0 108.941 179.225 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 75' ' ' ALA . . . . . 0.402 ' O ' ' OG ' ' B' ' 78' ' ' SER . . . -58.51 -39.99 81.64 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.27 -0.894 . . . . 0.0 109.66 -179.513 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 69.9 t80 -60.04 -40.09 88.17 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.014 -1.054 . . . . 0.0 109.962 179.421 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 77' ' ' VAL . . . . . . . . . . . . . 57.8 t -60.02 -42.1 88.54 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.461 0 O-C-N 121.229 -0.919 . . . . 0.0 108.971 -179.667 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 78' ' ' SER . . . . . 0.608 ' HG ' ' N ' ' B' ' 79' ' ' MET . 80.6 p -61.81 -39.0 90.22 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.398 -0.814 . . . . 0.0 108.945 179.048 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 79' ' ' MET . . . . . 0.608 ' N ' ' HG ' ' B' ' 78' ' ' SER . 50.5 ttm -59.96 -40.19 88.19 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.612 -0.68 . . . . 0.0 110.393 -179.647 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 58.6 t -67.37 -41.95 86.9 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.696 0 O-C-N 121.066 -1.021 . . . . 0.0 110.324 -179.006 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 82.3 p -68.68 -42.16 78.23 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.131 -0.981 . . . . 0.0 110.63 -178.724 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 82.6 p -71.07 -40.02 71.84 Favored 'General case' 0 N--CA 1.489 1.475 0 O-C-N 121.077 -1.014 . . . . 0.0 109.814 -179.614 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -69.93 -39.99 75.8 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.38 -0.825 . . . . 0.0 110.481 -179.66 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 84' ' ' CYS . . . . . . . . . . . . . 14.9 p -67.76 146.34 53.84 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.046 -1.033 . . . . 0.0 110.489 -178.92 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 85' ' ' HIS . . . . . . . . . . . . . 76.2 m80 -81.95 162.27 22.76 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.508 -0.745 . . . . 0.0 109.91 179.855 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 86' ' ' GLU . . . . . 0.573 ' C ' ' H ' ' B' ' 88' ' ' PHE . 98.7 mt-10 -89.23 -0.24 57.3 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 121.321 -0.862 . . . . 0.0 109.248 179.689 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 87' ' ' PHE . . . . . . . . . . . . . 34.5 t80 -67.19 16.94 0.03 OUTLIER 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.303 -0.873 . . . . 0.0 110.09 -179.499 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 88' ' ' PHE . . . . . 0.573 ' H ' ' C ' ' B' ' 86' ' ' GLU . 7.3 m-85 . . . . . 0 N--CA 1.492 1.63 0 O-C-N 121.026 -1.046 . . . . 0.0 108.994 179.664 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 34.0 t . . . . . 0 N--CA 1.498 1.962 0 N-CA-C 109.437 -0.579 . . . . 0.0 109.437 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -60.07 -40.04 88.11 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.276 -0.89 . . . . 0.0 110.183 -179.891 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 27.7 mt -61.16 -42.29 98.3 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.021 -1.049 . . . . 0.0 109.318 179.826 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -60.08 -46.33 89.92 Favored 'General case' 0 C--N 1.303 -1.441 0 O-C-N 121.328 -0.857 . . . . 0.0 109.414 -179.432 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 64.2 tttm -64.03 -40.06 95.48 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.236 -0.915 . . . . 0.0 109.37 179.7 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -60.07 -40.99 91.44 Favored 'General case' 0 N--CA 1.488 1.459 0 O-C-N 121.233 -0.917 . . . . 0.0 110.064 -179.459 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 98.8 mtp -61.09 -40.54 94.09 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.021 -1.049 . . . . 0.0 109.022 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 53.2 t -62.66 -40.02 86.88 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.68 0 O-C-N 121.53 -0.731 . . . . 0.0 110.41 179.838 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.0 -45.84 91.43 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.058 -1.026 . . . . 0.0 110.88 -178.347 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . 0.408 ' CD2' ' N ' ' A' ' 10' ' ' LEU . 2.8 mm? -60.03 -44.16 94.81 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 120.682 -1.261 . . . . 0.0 109.599 -179.571 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 96.6 mt -69.94 -43.67 79.25 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.55 0 O-C-N 121.077 -1.014 . . . . 0.0 110.433 -179.503 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 95.6 m-20 -69.99 -39.94 75.6 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.041 -1.037 . . . . 0.0 110.425 -179.819 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 53.2 t -65.49 -40.34 87.89 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.411 0 O-C-N 121.001 -1.062 . . . . 0.0 109.953 -179.066 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 67.5 t80 -60.06 -48.46 81.61 Favored 'General case' 0 N--CA 1.495 1.81 0 O-C-N 120.854 -1.154 . . . . 0.0 110.625 -179.564 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 5.5 m80 -69.85 -33.1 71.83 Favored 'General case' 0 N--CA 1.497 1.888 0 O-C-N 120.9 -1.125 . . . . 0.0 109.974 -179.769 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 32.0 tt0 -59.92 -49.97 75.58 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 120.976 -1.077 . . . . 0.0 110.261 -178.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 36.0 m-85 -72.48 -41.47 65.97 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.146 -0.971 . . . . 0.0 110.272 -179.836 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' SER . . . . . 0.644 ' HG ' ' N ' ' A' ' 19' ' ' GLY . 25.8 p -62.82 -40.2 96.66 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.073 -1.017 . . . . 0.0 110.424 -178.857 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . 0.644 ' N ' ' HG ' ' A' ' 18' ' ' SER . . . -79.02 -3.69 88.33 Favored Glycine 0 N--CA 1.489 2.19 0 N-CA-C 109.404 -1.478 . . . . 0.0 109.404 -179.366 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . 0.554 ' CG ' HH11 ' A' ' 20' ' ' ARG . 0.6 OUTLIER -60.07 -40.23 88.78 Favored 'General case' 0 C--N 1.303 -1.423 0 O-C-N 121.403 -1.057 . . . . 0.0 109.4 -179.839 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . 0.426 ' O ' ' O ' ' A' ' 22' ' ' GLY . 49.1 tp10 -147.56 87.57 1.65 Allowed 'General case' 0 N--CA 1.495 1.804 0 O-C-N 121.133 -0.98 . . . . 0.0 109.409 179.505 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . 0.426 ' O ' ' O ' ' A' ' 21' ' ' GLU . . . 44.71 -168.17 0.02 OUTLIER Glycine 0 N--CA 1.493 2.48 0 N-CA-C 109.916 -1.274 . . . . 0.0 109.916 179.665 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . 0.485 ' O ' ' O ' ' A' ' 26' ' ' LYS . 79.6 m-20 50.0 42.22 24.3 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.099 -1.236 . . . . 0.0 108.815 179.859 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 22.5 pttp -65.23 -32.88 74.78 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.164 -0.96 . . . . 0.0 110.376 -179.183 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 16.3 t60 -90.3 -6.33 55.25 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.013 -1.054 . . . . 0.0 110.744 -179.168 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . 0.485 ' O ' ' O ' ' A' ' 23' ' ' ASP . 42.6 mttm -142.52 159.03 43.03 Favored 'General case' 0 N--CA 1.503 2.205 0 O-C-N 120.783 -1.198 . . . . 0.0 109.74 -179.526 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 83.5 mt -114.21 133.5 55.57 Favored 'General case' 0 N--CA 1.502 2.148 0 N-CA-C 108.013 -1.106 . . . . 0.0 108.013 178.525 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.461 ' HG2' ' H ' ' A' ' 29' ' ' LYS . 1.4 ttmp? -92.27 179.53 5.53 Favored 'General case' 0 N--CA 1.498 1.96 0 O-C-N 121.227 -0.92 . . . . 0.0 109.77 -178.94 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.461 ' H ' ' HG2' ' A' ' 28' ' ' LYS . 0.3 OUTLIER -59.95 -45.32 93.01 Favored 'General case' 0 N--CA 1.494 1.751 0 O-C-N 121.394 -0.817 . . . . 0.0 110.507 -178.696 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 56.0 m -60.05 -41.42 92.28 Favored 'General case' 0 N--CA 1.495 1.795 0 O-C-N 120.753 -1.217 . . . . 0.0 110.716 -178.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -69.94 -39.33 76.14 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.153 -0.967 . . . . 0.0 110.182 -179.579 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 53.3 tp -60.06 -49.93 75.7 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.078 -1.014 . . . . 0.0 109.862 -179.228 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 64.6 tttm -63.67 -41.23 98.21 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 120.933 -1.105 . . . . 0.0 110.308 -179.806 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 61.9 tt0 -60.81 -40.12 91.48 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.157 -0.965 . . . . 0.0 110.343 -179.051 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -59.94 -44.52 94.33 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.277 -0.89 . . . . 0.0 109.588 -178.887 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.461 ' O ' ' O ' ' A' ' 40' ' ' LEU . 3.1 mp -75.68 -31.33 22.74 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.916 0 O-C-N 120.731 -1.231 . . . . 0.0 109.858 179.409 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 20.5 t-20 -58.16 -72.3 0.09 Allowed 'General case' 0 N--CA 1.494 1.764 0 O-C-N 120.814 -1.179 . . . . 0.0 112.393 -177.768 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 4.0 p-10 -81.07 -19.76 43.02 Favored 'General case' 0 N--CA 1.498 1.948 0 O-C-N 121.315 -0.866 . . . . 0.0 113.054 -177.064 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 1.5 tm-20 -89.91 -77.36 0.4 Allowed 'General case' 0 N--CA 1.502 2.175 0 O-C-N 120.47 -1.393 . . . . 0.0 110.613 -178.022 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.461 ' O ' ' O ' ' A' ' 36' ' ' ILE . 0.7 OUTLIER -90.4 111.75 23.1 Favored 'General case' 0 N--CA 1.497 1.877 0 O-C-N 120.899 -1.126 . . . . 0.0 108.805 -179.517 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 80.8 p -145.24 18.02 1.55 Allowed 'General case' 0 N--CA 1.495 1.78 0 O-C-N 121.049 -1.032 . . . . 0.0 110.032 -179.668 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 41.8 t-80 -126.87 -19.48 4.45 Favored 'General case' 0 N--CA 1.501 2.11 0 O-C-N 121.435 -0.791 . . . . 0.0 110.652 -179.137 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 57.3 m-85 -78.5 -62.36 1.71 Allowed 'General case' 0 N--CA 1.495 1.779 0 O-C-N 120.834 -1.166 . . . . 0.0 110.903 -178.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -89.99 -75.34 0.46 Allowed 'General case' 0 N--CA 1.501 2.085 0 O-C-N 121.118 -0.989 . . . . 0.0 110.223 -178.843 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 52.4 tt0 64.94 20.83 12.21 Favored 'General case' 0 N--CA 1.494 1.747 0 O-C-N 121.56 -0.713 . . . . 0.0 109.209 -179.068 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 15.3 pt-20 -94.4 0.01 55.14 Favored 'General case' 0 N--CA 1.496 1.861 0 O-C-N 121.247 -0.908 . . . . 0.0 110.12 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 85.8 mt -79.47 114.21 19.94 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.763 0 O-C-N 120.939 -1.101 . . . . 0.0 109.486 -179.464 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 4.7 mmmm -106.33 -51.02 3.03 Favored 'General case' 0 N--CA 1.499 1.978 0 O-C-N 121.575 -0.703 . . . . 0.0 110.615 -179.679 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 80.4 mm-40 -111.03 156.86 20.66 Favored 'General case' 0 N--CA 1.501 2.098 0 O-C-N 121.354 -0.842 . . . . 0.0 110.582 -178.693 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 51.9 tt0 -59.97 -37.02 78.4 Favored 'General case' 0 N--CA 1.493 1.684 0 CA-C-O 121.438 0.637 . . . . 0.0 109.295 179.154 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 77.0 mm-40 -53.08 -33.75 53.5 Favored 'General case' 0 C--N 1.301 -1.543 0 O-C-N 121.456 -0.777 . . . . 0.0 109.491 -179.281 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 79.2 t -60.06 -40.02 82.03 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.518 0 O-C-N 121.103 -0.998 . . . . 0.0 109.527 -179.886 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 54.5 t -60.16 -42.21 89.37 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.66 0 O-C-N 121.063 -1.023 . . . . 0.0 109.445 179.417 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 50.1 t0 -60.12 -46.96 87.86 Favored 'General case' 0 N--CA 1.494 1.769 0 O-C-N 121.144 -0.972 . . . . 0.0 109.725 -179.748 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 2.5 ttmp? -59.97 -41.17 91.4 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.277 -0.889 . . . . 0.0 109.174 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 65.4 t -66.53 -40.37 86.22 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.475 0 O-C-N 121.304 -0.872 . . . . 0.0 109.125 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 8.9 ttt -60.31 -41.9 94.43 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.328 -0.858 . . . . 0.0 110.214 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -63.91 -39.91 95.27 Favored 'General case' 0 C--N 1.302 -1.46 0 O-C-N 121.339 -0.85 . . . . 0.0 109.719 -179.316 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 86.1 m -67.12 -46.66 73.5 Favored 'General case' 0 N--CA 1.488 1.428 0 N-CA-C 108.556 -0.905 . . . . 0.0 108.556 179.209 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 42.9 tp -61.03 -50.09 74.76 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.162 -0.961 . . . . 0.0 110.023 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . 0.446 ' OD1' ' N ' ' A' ' 64' ' ' GLY . 12.5 t70 -81.87 69.18 8.5 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.023 -1.048 . . . . 0.0 110.574 -179.181 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 7.1 tm-20 -70.16 -32.23 70.1 Favored 'General case' 0 N--CA 1.49 1.568 0 N-CA-C 108.434 -0.95 . . . . 0.0 108.434 178.57 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 5.0 p-10 -60.05 -37.5 80.01 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.826 -0.546 . . . . 0.0 110.315 -179.434 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . 0.446 ' N ' ' OD1' ' A' ' 61' ' ' ASP . . . 99.11 30.37 6.71 Favored Glycine 0 N--CA 1.502 3.06 0 N-CA-C 110.466 -1.053 . . . . 0.0 110.466 179.533 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . 0.451 ' OD1' ' O ' ' A' ' 65' ' ' ASP . 65.7 t0 -86.61 -19.41 29.38 Favored 'General case' 0 N--CA 1.496 1.834 0 O-C-N 120.897 -1.355 . . . . 0.0 108.951 179.277 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 71.36 -0.93 30.22 Favored Glycine 0 N--CA 1.492 2.377 0 N-CA-C 109.25 -1.54 . . . . 0.0 109.25 179.894 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 49.0 mt-10 -135.82 156.05 49.39 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 121.493 -1.004 . . . . 0.0 108.597 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 44.6 m -89.74 116.25 27.71 Favored 'General case' 0 N--CA 1.494 1.736 0 O-C-N 120.934 -1.104 . . . . 0.0 109.387 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . 0.536 ' OD1' ' N ' ' A' ' 70' ' ' PHE . 18.9 t0 -88.85 171.09 10.18 Favored 'General case' 0 N--CA 1.491 1.581 0 N-CA-C 108.722 -0.844 . . . . 0.0 108.722 179.869 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' PHE . . . . . 0.536 ' N ' ' OD1' ' A' ' 69' ' ' ASP . 41.6 t80 -60.1 -42.35 94.49 Favored 'General case' 0 C--N 1.3 -1.55 0 O-C-N 121.075 -1.016 . . . . 0.0 108.648 -179.86 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 88.7 mt-30 -60.99 -41.43 96.48 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.381 -0.825 . . . . 0.0 109.706 179.767 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 36.8 mt-10 -64.22 -38.84 92.48 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.31 -0.869 . . . . 0.0 109.287 -179.878 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 53.9 t80 -60.06 -43.98 95.03 Favored 'General case' 0 C--N 1.3 -1.578 0 O-C-N 121.506 -0.746 . . . . 0.0 109.279 -179.697 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 95.9 mmm -67.84 -39.98 83.76 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.256 -0.902 . . . . 0.0 109.886 179.901 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -59.88 -44.61 94.11 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.137 -0.977 . . . . 0.0 109.591 -179.073 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 58.6 t80 -59.87 -49.37 77.95 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.147 -0.971 . . . . 0.0 109.262 179.569 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 66.4 t -61.27 -44.43 98.39 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.476 0 O-C-N 121.245 -0.909 . . . . 0.0 109.195 -179.818 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 25.8 t -60.49 -43.42 97.01 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.299 -0.876 . . . . 0.0 109.684 -179.763 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 63.0 ttp -60.24 -40.04 88.85 Favored 'General case' 0 C--N 1.303 -1.436 0 O-C-N 121.151 -0.968 . . . . 0.0 109.917 -179.439 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 57.9 t -69.12 -44.26 81.07 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.562 0 O-C-N 121.138 -0.976 . . . . 0.0 109.872 -179.66 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' THR . . . . . 0.526 ' O ' ' SG ' ' A' ' 84' ' ' CYS . 27.9 m -61.32 -40.78 95.48 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.104 -0.997 . . . . 0.0 109.691 -179.608 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 35.5 p -68.3 -39.01 82.2 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.102 -0.999 . . . . 0.0 109.279 179.773 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -73.41 -22.96 60.1 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.461 -0.774 . . . . 0.0 110.716 -179.402 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 84' ' ' CYS . . . . . 0.539 ' O ' ' SG ' ' A' ' 84' ' ' CYS . 14.8 p -43.96 116.14 0.94 Allowed 'General case' 0 N--CA 1.496 1.868 0 O-C-N 121.127 -0.983 . . . . 0.0 110.598 -178.774 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 71.8 t60 -98.22 -42.19 7.54 Favored 'General case' 0 N--CA 1.497 1.89 0 O-C-N 120.996 -1.065 . . . . 0.0 109.374 179.73 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . 0.58 ' H ' ' CD ' ' A' ' 86' ' ' GLU . 0.8 OUTLIER -71.04 140.52 50.77 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 121.425 -0.797 . . . . 0.0 110.126 -179.67 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 96.5 m-85 -113.12 141.1 47.3 Favored 'General case' 0 N--CA 1.5 2.035 0 O-C-N 121.532 -0.73 . . . . 0.0 110.1 -179.445 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 63.8 m-85 . . . . . 0 N--CA 1.498 1.942 0 O-C-N 121.179 -0.951 . . . . 0.0 109.031 179.112 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 30.2 t . . . . . 0 N--CA 1.497 1.904 0 N-CA-C 109.393 -0.595 . . . . 0.0 109.393 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -59.94 -40.21 88.2 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.147 -0.971 . . . . 0.0 110.036 -179.8 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 35.9 mt -60.65 -42.72 97.55 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 120.971 -1.081 . . . . 0.0 109.352 179.739 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 88.7 tt0 -60.02 -45.81 91.57 Favored 'General case' 0 C--N 1.303 -1.449 0 O-C-N 121.357 -0.84 . . . . 0.0 109.376 -179.43 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 63.6 tttm -64.49 -40.04 94.92 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.25 -0.906 . . . . 0.0 109.247 179.702 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -60.03 -41.4 92.15 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.432 -0.793 . . . . 0.0 109.999 -179.295 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 7' ' ' MET . . . . . . . . . . . . . 97.8 mtp -61.15 -40.47 93.96 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 120.941 -1.099 . . . . 0.0 109.006 179.829 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 47.0 t -62.76 -40.01 87.01 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.71 0 O-C-N 121.572 -0.705 . . . . 0.0 110.355 179.923 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.05 -45.38 93.04 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 121.009 -1.057 . . . . 0.0 110.773 -178.198 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 10' ' ' LEU . . . . . 0.4 ' N ' ' CD2' ' B' ' 10' ' ' LEU . 2.9 mm? -59.99 -44.4 94.53 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 120.883 -1.136 . . . . 0.0 109.8 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 96.6 mt -69.96 -43.58 79.28 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.581 0 O-C-N 121.103 -0.998 . . . . 0.0 110.343 -179.519 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 95.9 m-20 -70.04 -39.95 75.44 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.079 -1.013 . . . . 0.0 110.432 -179.73 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 54.3 t -65.47 -40.58 88.69 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.523 0 O-C-N 121.106 -0.996 . . . . 0.0 109.998 -179.032 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 14' ' ' PHE . . . . . . . . . . . . . 68.1 t80 -59.94 -48.53 81.33 Favored 'General case' 0 N--CA 1.495 1.807 0 O-C-N 120.95 -1.094 . . . . 0.0 110.602 -179.361 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 5.7 m80 -69.87 -32.94 71.57 Favored 'General case' 0 N--CA 1.496 1.872 0 O-C-N 120.959 -1.088 . . . . 0.0 110.063 -179.898 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 32.4 tt0 -59.98 -49.65 76.82 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.034 -1.041 . . . . 0.0 110.215 -178.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 36.7 m-85 -73.05 -41.34 64.27 Favored 'General case' 0 N--CA 1.494 1.748 0 O-C-N 121.191 -0.943 . . . . 0.0 110.274 -179.782 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 26.6 p -62.22 -40.67 96.91 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.216 -0.927 . . . . 0.0 110.176 -179.119 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -78.53 -4.14 87.16 Favored Glycine 0 N--CA 1.49 2.289 0 N-CA-C 109.473 -1.451 . . . . 0.0 109.473 -179.342 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 20' ' ' ARG . . . . . 0.526 ' CG ' HH11 ' B' ' 20' ' ' ARG . 0.9 OUTLIER -60.03 -40.26 88.73 Favored 'General case' 0 C--N 1.302 -1.478 0 O-C-N 121.347 -1.09 . . . . 0.0 109.496 -179.808 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' B' B ' 21' ' ' GLU . . . . . 0.422 ' O ' ' O ' ' B' ' 22' ' ' GLY . 49.2 tp10 -147.87 87.32 1.61 Allowed 'General case' 0 N--CA 1.495 1.803 0 O-C-N 121.151 -0.968 . . . . 0.0 109.459 179.703 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 22' ' ' GLY . . . . . 0.422 ' O ' ' O ' ' B' ' 21' ' ' GLU . . . 45.31 -168.49 0.03 OUTLIER Glycine 0 N--CA 1.492 2.429 0 N-CA-C 109.863 -1.295 . . . . 0.0 109.863 179.588 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 23' ' ' ASP . . . . . 0.484 ' O ' ' O ' ' B' ' 26' ' ' LYS . 80.3 m-20 50.17 42.43 25.25 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.095 -1.238 . . . . 0.0 108.866 179.812 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 22.3 pttp -65.2 -33.17 75.36 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.081 -1.012 . . . . 0.0 110.382 -179.202 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 25' ' ' HIS . . . . . . . . . . . . . 16.7 t60 -90.23 -5.96 55.77 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.153 -0.967 . . . . 0.0 110.81 -179.122 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 26' ' ' LYS . . . . . 0.484 ' O ' ' O ' ' B' ' 23' ' ' ASP . 41.8 mttm -142.75 159.13 42.84 Favored 'General case' 0 N--CA 1.502 2.137 0 O-C-N 120.735 -1.228 . . . . 0.0 109.804 -179.538 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 81.5 mt -114.49 133.67 55.59 Favored 'General case' 0 N--CA 1.502 2.134 0 N-CA-C 107.895 -1.15 . . . . 0.0 107.895 178.508 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 28' ' ' LYS . . . . . 0.486 ' HG2' ' H ' ' B' ' 29' ' ' LYS . 1.5 ttmp? -92.71 179.36 5.51 Favored 'General case' 0 N--CA 1.495 1.822 0 O-C-N 121.157 -0.965 . . . . 0.0 109.803 -179.044 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 29' ' ' LYS . . . . . 0.486 ' H ' ' HG2' ' B' ' 28' ' ' LYS . 0.3 OUTLIER -59.8 -45.75 91.34 Favored 'General case' 0 N--CA 1.495 1.78 0 O-C-N 121.49 -0.756 . . . . 0.0 110.642 -178.676 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 57.9 m -60.14 -41.08 91.94 Favored 'General case' 0 N--CA 1.495 1.794 0 O-C-N 120.652 -1.28 . . . . 0.0 110.564 -178.866 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -69.87 -39.45 76.32 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.123 -0.986 . . . . 0.0 109.996 -179.416 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 43.2 tp -60.02 -49.88 75.94 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.171 -0.956 . . . . 0.0 110.024 -179.157 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 65.8 tttm -63.9 -40.45 96.54 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.008 -1.057 . . . . 0.0 110.239 -179.624 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 62.0 tt0 -61.41 -39.92 92.53 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.149 -0.969 . . . . 0.0 110.323 -179.176 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -60.05 -43.96 95.02 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.277 -0.89 . . . . 0.0 109.549 -178.94 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 36' ' ' ILE . . . . . 0.463 ' O ' ' O ' ' B' ' 40' ' ' LEU . 3.5 mp -76.32 -30.87 20.23 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.866 0 O-C-N 120.807 -1.183 . . . . 0.0 109.944 179.439 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 21.5 t-20 -58.62 -72.05 0.1 Allowed 'General case' 0 N--CA 1.493 1.698 0 O-C-N 120.888 -1.132 . . . . 0.0 112.172 -177.837 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 3.9 p-10 -81.31 -19.75 42.24 Favored 'General case' 0 N--CA 1.498 1.958 0 O-C-N 121.301 -0.874 . . . . 0.0 113.18 -176.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 1.5 tm-20 -89.69 -77.39 0.39 Allowed 'General case' 0 N--CA 1.502 2.173 0 O-C-N 120.401 -1.437 . . . . 0.0 110.487 -178.093 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 40' ' ' LEU . . . . . 0.463 ' O ' ' O ' ' B' ' 36' ' ' ILE . 0.7 OUTLIER -90.14 112.45 23.94 Favored 'General case' 0 N--CA 1.498 1.944 0 O-C-N 120.875 -1.141 . . . . 0.0 108.714 -179.758 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 87.9 p -145.78 17.82 1.45 Allowed 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.071 -1.018 . . . . 0.0 109.946 -179.823 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 42' ' ' HIS . . . . . . . . . . . . . 43.3 t-80 -126.9 -19.66 4.39 Favored 'General case' 0 N--CA 1.5 2.052 0 O-C-N 121.388 -0.82 . . . . 0.0 110.643 -179.173 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 57.3 m-85 -78.16 -62.46 1.67 Allowed 'General case' 0 N--CA 1.496 1.872 0 O-C-N 120.897 -1.127 . . . . 0.0 110.969 -178.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -90.31 -74.61 0.48 Allowed 'General case' 0 N--CA 1.498 1.949 0 O-C-N 120.942 -1.099 . . . . 0.0 110.245 -178.774 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 51.9 tt0 64.81 20.4 12.11 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.535 -0.728 . . . . 0.0 109.273 -179.196 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 15.4 pt-20 -93.59 -0.23 56.29 Favored 'General case' 0 N--CA 1.497 1.89 0 O-C-N 121.147 -0.971 . . . . 0.0 110.268 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 87.6 mt -78.89 114.11 19.15 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.802 0 O-C-N 120.968 -1.082 . . . . 0.0 109.561 -179.334 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 4.7 mmmm -106.08 -51.57 2.95 Favored 'General case' 0 N--CA 1.498 1.973 0 O-C-N 121.414 -0.804 . . . . 0.0 110.478 -179.739 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 79.2 mm-40 -110.71 156.77 20.55 Favored 'General case' 0 N--CA 1.5 2.071 0 O-C-N 121.39 -0.819 . . . . 0.0 110.807 -178.573 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 53.0 tt0 -60.06 -36.91 78.37 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.657 -0.652 . . . . 0.0 109.413 179.138 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 76.5 mm-40 -53.24 -33.53 53.37 Favored 'General case' 0 C--N 1.301 -1.507 0 O-C-N 121.338 -0.851 . . . . 0.0 109.244 -179.342 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 72.7 t -60.05 -40.01 81.99 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.475 0 O-C-N 121.083 -1.011 . . . . 0.0 109.376 -179.833 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 45.6 t -60.11 -42.25 89.36 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.744 0 O-C-N 121.063 -1.023 . . . . 0.0 109.46 179.435 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 50.7 t0 -60.06 -47.21 86.82 Favored 'General case' 0 N--CA 1.495 1.786 0 O-C-N 121.097 -1.002 . . . . 0.0 109.705 -179.809 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 2.5 ttmp? -59.97 -41.11 91.22 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.19 -0.944 . . . . 0.0 109.132 -179.683 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 53.8 t -66.57 -40.12 85.54 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.447 0 O-C-N 121.374 -0.829 . . . . 0.0 108.954 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 57' ' ' MET . . . . . . . . . . . . . 8.2 ttt -60.98 -41.62 96.77 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.261 -0.899 . . . . 0.0 110.261 -179.881 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -64.02 -40.18 95.75 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.206 -0.934 . . . . 0.0 109.567 -179.515 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 93.8 m -66.32 -47.3 74.0 Favored 'General case' 0 N--CA 1.488 1.43 0 O-C-N 121.217 -0.927 . . . . 0.0 108.57 178.888 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 53.6 tp -60.68 -50.04 75.09 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.196 -0.94 . . . . 0.0 110.107 -179.838 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 61' ' ' ASP . . . . . 0.433 ' OD1' ' N ' ' B' ' 64' ' ' GLY . 12.8 t70 -81.86 68.98 8.45 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.121 -0.987 . . . . 0.0 110.625 -179.022 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 7.0 tm-20 -70.17 -32.18 70.02 Favored 'General case' 0 N--CA 1.488 1.464 0 N-CA-C 108.357 -0.979 . . . . 0.0 108.357 178.49 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 5.2 p-10 -59.93 -37.61 79.99 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.908 -0.495 . . . . 0.0 110.396 -179.453 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 64' ' ' GLY . . . . . 0.433 ' N ' ' OD1' ' B' ' 61' ' ' ASP . . . 99.74 28.84 7.23 Favored Glycine 0 N--CA 1.501 2.982 0 O-C-N 121.087 -1.008 . . . . 0.0 110.714 179.466 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 65' ' ' ASP . . . . . 0.46 ' O ' ' OD1' ' B' ' 65' ' ' ASP . 65.6 t0 -85.59 -19.93 30.3 Favored 'General case' 0 N--CA 1.496 1.845 0 O-C-N 120.888 -1.36 . . . . 0.0 109.216 179.38 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 72.02 -1.01 34.93 Favored Glycine 0 N--CA 1.492 2.427 0 N-CA-C 109.25 -1.54 . . . . 0.0 109.25 179.765 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 49.5 mt-10 -135.9 155.91 49.57 Favored 'General case' 0 N--CA 1.495 1.783 0 O-C-N 121.607 -0.937 . . . . 0.0 108.619 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 68' ' ' CYS . . . . . . . . . . . . . 36.2 m -89.7 116.62 27.96 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 120.86 -1.15 . . . . 0.0 109.316 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 69' ' ' ASP . . . . . 0.547 ' OD1' ' N ' ' B' ' 70' ' ' PHE . 18.7 t0 -89.05 171.03 10.14 Favored 'General case' 0 N--CA 1.494 1.727 0 N-CA-C 108.63 -0.878 . . . . 0.0 108.63 179.893 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 70' ' ' PHE . . . . . 0.547 ' N ' ' OD1' ' B' ' 69' ' ' ASP . 41.7 t80 -60.02 -42.15 93.7 Favored 'General case' 0 C--N 1.3 -1.558 0 O-C-N 121.083 -1.01 . . . . 0.0 108.633 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 87.9 mt-30 -61.49 -41.21 96.93 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.393 -0.817 . . . . 0.0 109.661 179.886 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 35.8 mt-10 -63.96 -38.83 92.5 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.348 -0.845 . . . . 0.0 109.298 179.926 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 73' ' ' PHE . . . . . . . . . . . . . 58.0 t80 -60.02 -44.11 94.82 Favored 'General case' 0 C--N 1.301 -1.526 0 O-C-N 121.536 -0.728 . . . . 0.0 109.211 -179.652 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 74' ' ' MET . . . . . . . . . . . . . 94.2 mmm -67.77 -39.92 84.07 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.305 -0.872 . . . . 0.0 109.952 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -59.96 -44.85 94.17 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.132 -0.98 . . . . 0.0 109.699 -179.082 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 58.8 t80 -60.07 -48.52 81.36 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.157 -0.964 . . . . 0.0 109.259 179.83 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 77' ' ' VAL . . . . . . . . . . . . . 53.2 t -61.61 -44.71 99.1 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.491 0 O-C-N 121.293 -0.88 . . . . 0.0 109.104 179.928 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 78' ' ' SER . . . . . . . . . . . . . 22.8 t -60.36 -43.5 96.45 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.33 -0.856 . . . . 0.0 109.753 -179.827 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 79' ' ' MET . . . . . . . . . . . . . 63.3 ttp -60.05 -40.21 88.66 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.235 -0.916 . . . . 0.0 109.963 -179.567 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 76.7 t -69.04 -44.24 81.31 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.567 0 O-C-N 121.146 -0.971 . . . . 0.0 109.771 -179.577 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 81' ' ' THR . . . . . 0.515 ' O ' ' SG ' ' B' ' 84' ' ' CYS . 29.0 m -61.4 -41.05 96.52 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.1 -1.0 . . . . 0.0 109.486 -179.299 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 33.4 p -67.72 -39.74 84.29 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 121.043 -1.036 . . . . 0.0 109.354 179.828 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -73.16 -22.41 60.5 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.451 -0.781 . . . . 0.0 110.803 -179.338 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 84' ' ' CYS . . . . . 0.538 ' O ' ' SG ' ' B' ' 84' ' ' CYS . 14.3 p -44.17 115.91 0.92 Allowed 'General case' 0 N--CA 1.494 1.732 0 O-C-N 121.113 -0.992 . . . . 0.0 110.487 -178.904 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 85' ' ' HIS . . . . . . . . . . . . . 72.9 t60 -98.3 -41.92 7.63 Favored 'General case' 0 N--CA 1.498 1.927 0 O-C-N 120.924 -1.11 . . . . 0.0 109.433 179.819 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 86' ' ' GLU . . . . . 0.58 ' H ' ' CD ' ' B' ' 86' ' ' GLU . 0.8 OUTLIER -71.45 140.1 49.9 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 121.31 -0.869 . . . . 0.0 110.168 -179.542 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' B' B ' 87' ' ' PHE . . . . . . . . . . . . . 96.8 m-85 -112.56 142.05 45.59 Favored 'General case' 0 N--CA 1.5 2.055 0 O-C-N 121.451 -0.781 . . . . 0.0 110.18 -179.516 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 61.7 m-85 . . . . . 0 N--CA 1.496 1.872 0 O-C-N 121.241 -0.912 . . . . 0.0 108.955 179.113 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 42.8 t . . . . . 0 N--CA 1.49 1.526 0 CA-C-O 121.587 0.708 . . . . 0.0 109.427 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 99.7 mt-10 -70.01 -31.65 69.42 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.27 -0.894 . . . . 0.0 110.254 -179.818 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 9.1 tt -59.9 -49.32 78.17 Favored 'General case' 0 N--CA 1.494 1.725 0 O-C-N 121.114 -0.992 . . . . 0.0 110.587 -178.309 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 1.1 pp20? -61.18 -39.94 92.05 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 120.617 -1.302 . . . . 0.0 109.903 -179.466 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 86.8 tttt -66.33 -40.42 89.86 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 120.92 -1.113 . . . . 0.0 108.831 179.558 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -61.69 -40.38 94.78 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.623 -0.673 . . . . 0.0 110.104 -179.62 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 27.1 ttt -60.06 -40.0 87.94 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.182 -0.949 . . . . 0.0 109.448 -179.61 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 67.5 t -60.48 -39.77 82.21 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.572 0 O-C-N 121.462 -0.774 . . . . 0.0 109.597 179.712 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.89 -40.73 89.73 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.226 -0.921 . . . . 0.0 110.932 -178.179 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . 0.4 ' N ' ' CD2' ' A' ' 10' ' ' LEU . 4.0 mm? -60.07 -49.98 75.51 Favored 'General case' 0 N--CA 1.495 1.784 0 O-C-N 120.68 -1.263 . . . . 0.0 109.758 -179.83 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 98.2 mt -60.16 -47.79 90.64 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.578 0 O-C-N 121.016 -1.053 . . . . 0.0 109.694 -179.647 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 10.3 t70 -61.83 -47.72 83.83 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.19 -0.944 . . . . 0.0 110.266 -179.481 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 54.2 t -67.42 -43.64 87.48 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.678 0 O-C-N 121.077 -1.015 . . . . 0.0 109.964 -179.27 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 64.3 t80 -60.0 -45.58 92.29 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.036 -1.04 . . . . 0.0 110.037 -179.443 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 4.1 t-80 -61.36 -40.06 92.9 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.249 -0.907 . . . . 0.0 110.627 -178.874 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 65.6 mt-30 -63.7 -58.47 6.79 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 120.942 -1.099 . . . . 0.0 110.601 -178.907 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 50.0 m-85 -64.7 -39.98 94.58 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.085 -1.009 . . . . 0.0 110.281 -179.506 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 57.6 p -66.06 -33.58 76.12 Favored 'General case' 0 C--N 1.297 -1.693 0 O-C-N 121.052 -1.03 . . . . 0.0 109.061 179.835 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -80.57 -15.33 78.29 Favored Glycine 0 N--CA 1.494 2.504 0 C-N-CA 120.121 -1.038 . . . . 0.0 110.541 -179.921 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 23.5 mmt180 -60.01 -40.03 87.86 Favored 'General case' 0 N--CA 1.496 1.874 0 O-C-N 120.883 -1.363 . . . . 0.0 110.557 -179.761 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 13.4 pt-20 -154.46 167.95 28.33 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 120.923 -1.111 . . . . 0.0 110.369 -179.1 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 100.92 175.81 29.3 Favored Glycine 0 N--CA 1.495 2.576 0 N-CA-C 108.867 -1.693 . . . . 0.0 108.867 -179.666 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 57.0 t0 -58.29 -58.06 10.17 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.023 -1.281 . . . . 0.0 109.01 -179.74 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 42.2 mtpt -153.47 -37.94 0.1 Allowed 'General case' 0 N--CA 1.493 1.718 0 O-C-N 121.315 -0.866 . . . . 0.0 110.014 178.789 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -159.8 75.4 0.62 Allowed 'General case' 0 N--CA 1.488 1.426 0 O-C-N 120.715 -1.24 . . . . 0.0 111.935 -178.677 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 57.9 pttt -144.36 158.67 43.62 Favored 'General case' 0 N--CA 1.498 1.956 0 O-C-N 121.107 -0.996 . . . . 0.0 108.406 177.712 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 89.3 mt -107.97 127.74 54.03 Favored 'General case' 0 N--CA 1.5 2.044 0 O-C-N 121.305 -0.872 . . . . 0.0 110.596 -178.796 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 54.6 tttp -105.23 165.54 11.04 Favored 'General case' 0 N--CA 1.496 1.826 0 N-CA-C 108.165 -1.05 . . . . 0.0 108.165 179.267 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 7.9 ttpm? -60.06 -43.33 95.47 Favored 'General case' 0 N--CA 1.495 1.797 0 O-C-N 120.836 -1.165 . . . . 0.0 110.571 -178.56 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' SER . . . . . 0.429 ' O ' ' OE1' ' A' ' 34' ' ' GLU . 88.6 p -60.59 -40.39 91.6 Favored 'General case' 0 N--CA 1.495 1.82 0 O-C-N 120.922 -1.111 . . . . 0.0 109.865 -179.742 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 86.4 tt0 -59.99 -37.64 80.25 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.394 -0.816 . . . . 0.0 109.996 -179.897 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 96.0 mt -60.0 -39.94 87.5 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.28 -0.888 . . . . 0.0 111.055 -178.242 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 7.3 ttpm? -60.06 -49.64 76.85 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 120.531 -1.355 . . . . 0.0 110.046 -178.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . 0.481 ' N ' ' OE1' ' A' ' 34' ' ' GLU . 21.7 mp0 -69.93 -40.27 75.62 Favored 'General case' 0 N--CA 1.495 1.803 0 O-C-N 120.945 -1.097 . . . . 0.0 110.11 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.455 ' O ' ' OD1' ' A' ' 38' ' ' ASN . 7.4 tt -61.72 -41.05 97.11 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.34 -0.85 . . . . 0.0 110.145 -179.628 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 86.4 mt -69.55 -39.98 79.08 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.57 0 O-C-N 121.033 -1.042 . . . . 0.0 110.658 -178.782 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 25.7 m-20 -60.06 -40.03 88.05 Favored 'General case' 0 N--CA 1.495 1.8 0 O-C-N 121.008 -1.057 . . . . 0.0 112.191 -178.158 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . 0.455 ' OD1' ' O ' ' A' ' 35' ' ' LEU . 7.6 p-10 -71.22 -40.07 71.33 Favored 'General case' 0 N--CA 1.496 1.847 0 O-C-N 120.447 -1.408 . . . . 0.0 111.878 -178.126 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -91.91 -79.69 0.37 Allowed 'General case' 0 N--CA 1.505 2.286 0 O-C-N 120.599 -1.313 . . . . 0.0 110.924 -178.899 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 11.1 mp -72.53 138.58 47.03 Favored 'General case' 0 N--CA 1.496 1.87 0 O-C-N 120.969 -1.082 . . . . 0.0 110.466 -178.515 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 24.6 p -148.2 -54.16 0.2 Allowed 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.579 -0.701 . . . . 0.0 109.535 179.564 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 39.3 m80 -90.62 -12.88 35.6 Favored 'General case' 0 N--CA 1.497 1.909 0 O-C-N 121.109 -0.995 . . . . 0.0 110.445 -179.734 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 59.3 m-85 -59.96 -40.01 87.61 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 120.751 -1.218 . . . . 0.0 108.886 -179.556 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.572 ' N ' ' CD1' ' A' ' 44' ' ' LEU . 0.0 OUTLIER -108.17 163.95 12.73 Favored 'General case' 0 N--CA 1.5 2.046 0 N-CA-C 107.452 -1.314 . . . . 0.0 107.452 177.764 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . 0.484 ' OE1' ' N ' ' A' ' 45' ' ' GLU . 56.5 mp0 -55.22 -61.83 2.07 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 120.447 -1.408 . . . . 0.0 109.466 -178.496 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 81.4 tt0 -179.31 142.7 0.19 Allowed 'General case' 0 N--CA 1.496 1.836 0 N-CA-C 109.088 -0.708 . . . . 0.0 109.088 179.235 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 42.2 mm -84.54 120.09 34.61 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.769 0 O-C-N 121.101 -0.999 . . . . 0.0 108.84 179.562 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 31.1 tttm -161.53 -23.22 0.05 Allowed 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.12 -0.988 . . . . 0.0 109.919 179.763 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . 0.526 ' N ' ' OE1' ' A' ' 49' ' ' GLU . 56.6 mp0 -101.83 139.98 36.74 Favored 'General case' 0 N--CA 1.497 1.903 0 O-C-N 121.25 -0.906 . . . . 0.0 109.255 179.852 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 26.5 mm100 -68.64 -33.6 74.29 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.413 -0.805 . . . . 0.0 109.568 -179.828 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . 0.41 ' OE1' ' N ' ' A' ' 51' ' ' GLU . 59.4 mp0 -60.03 -39.92 87.57 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.31 -0.869 . . . . 0.0 110.335 -179.145 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 71.7 t -60.04 -40.68 83.9 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.616 0 O-C-N 121.085 -1.009 . . . . 0.0 109.634 -178.872 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 54.6 t -69.78 -41.9 79.97 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.505 0 O-C-N 121.109 -0.994 . . . . 0.0 109.546 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 55.5 t0 -59.92 -44.46 94.29 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.289 -0.882 . . . . 0.0 109.637 -179.66 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 63.0 tttp -60.01 -47.49 85.63 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.438 -0.789 . . . . 0.0 110.229 -179.468 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 56.1 t -68.31 -40.52 82.63 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.617 0 O-C-N 121.169 -0.957 . . . . 0.0 109.578 -179.354 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' MET . . . . . 0.458 ' SD ' ' O ' ' A' ' 57' ' ' MET . 0.0 OUTLIER -66.74 -45.06 79.83 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.368 -0.832 . . . . 0.0 110.007 -179.277 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 7.0 tm-20 -66.77 -45.18 79.35 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.317 -0.864 . . . . 0.0 110.788 -179.04 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 94.2 m -65.62 -40.01 92.13 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.043 -1.036 . . . . 0.0 110.215 -179.123 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 4.5 tt -64.35 -47.74 78.18 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.175 -0.953 . . . . 0.0 109.46 -179.534 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . 0.529 ' OD2' ' N ' ' A' ' 65' ' ' ASP . 32.1 t0 -76.88 95.79 4.17 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.023 -1.048 . . . . 0.0 109.005 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 90.6 mt-10 -68.73 -39.99 80.11 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.336 -0.853 . . . . 0.0 110.366 -179.112 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . 0.451 ' OD2' ' OD2' ' A' ' 65' ' ' ASP . 31.6 p30 -93.48 1.17 56.89 Favored 'General case' 0 N--CA 1.494 1.768 0 O-C-N 121.106 -0.996 . . . . 0.0 110.25 -179.379 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 61.3 45.77 95.8 Favored Glycine 0 N--CA 1.492 2.387 0 N-CA-C 109.971 -1.252 . . . . 0.0 109.971 179.385 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . 0.529 ' N ' ' OD2' ' A' ' 61' ' ' ASP . 95.2 m-20 -69.82 -18.82 63.48 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.109 -1.23 . . . . 0.0 109.34 179.776 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 88.01 -9.92 72.71 Favored Glycine 0 N--CA 1.491 2.32 0 N-CA-C 108.421 -1.872 . . . . 0.0 108.421 -179.544 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 13.7 pt-20 -144.52 154.26 42.71 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.63 -0.923 . . . . 0.0 109.324 -179.809 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -112.57 129.35 56.4 Favored 'General case' 0 N--CA 1.502 2.148 0 N-CA-C 108.886 -0.783 . . . . 0.0 108.886 179.794 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . 0.517 ' CG ' ' H ' ' A' ' 70' ' ' PHE . 16.3 t70 -90.8 -177.77 5.06 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.296 -0.877 . . . . 0.0 110.056 -179.723 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' PHE . . . . . 0.517 ' H ' ' CG ' ' A' ' 69' ' ' ASP . 27.3 t80 -60.0 -41.37 91.96 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.369 -0.832 . . . . 0.0 109.386 -179.702 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 67.9 tp60 -59.91 -43.24 94.97 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.227 -0.92 . . . . 0.0 109.328 -179.728 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 79.3 mt-10 -69.99 -29.73 66.9 Favored 'General case' 0 C--N 1.303 -1.422 0 O-C-N 121.256 -0.903 . . . . 0.0 109.506 179.896 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 77.2 t80 -59.98 -43.69 94.96 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 120.781 -1.199 . . . . 0.0 109.142 179.225 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 97.3 mmm -60.33 -36.28 77.58 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.262 -0.898 . . . . 0.0 108.909 179.26 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -60.04 -36.39 77.19 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.251 -0.906 . . . . 0.0 109.872 -179.813 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -58.59 -50.92 72.06 Favored 'General case' 0 N--CA 1.491 1.621 0 N-CA-C 108.178 -1.045 . . . . 0.0 108.178 -179.817 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 60.9 t -66.58 -42.61 90.2 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.574 0 O-C-N 121.312 -0.868 . . . . 0.0 110.416 -179.572 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 60.6 p -60.83 -46.19 91.5 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.089 -1.007 . . . . 0.0 110.613 -178.882 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 8.9 ttm -60.21 -49.99 75.43 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 120.984 -1.072 . . . . 0.0 109.99 -179.783 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 79.6 t -67.68 -39.77 82.76 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.49 0 O-C-N 121.573 -0.704 . . . . 0.0 109.801 -179.323 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' THR . . . . . 0.5 ' O ' ' SG ' ' A' ' 84' ' ' CYS . 94.4 m -60.13 -40.3 89.28 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.069 -1.02 . . . . 0.0 110.111 -178.363 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 25.5 p -69.72 -38.79 77.03 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 120.869 -1.144 . . . . 0.0 109.286 179.65 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -79.29 -10.65 59.86 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.39 -0.819 . . . . 0.0 109.948 -179.829 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 84' ' ' CYS . . . . . 0.502 ' O ' ' SG ' ' A' ' 84' ' ' CYS . 12.0 p -55.21 125.97 22.88 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.04 -1.037 . . . . 0.0 109.524 -179.558 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 85' ' ' HIS . . . . . 0.454 ' O ' ' CE1' ' A' ' 87' ' ' PHE . 0.6 OUTLIER -106.87 19.86 19.86 Favored 'General case' 0 N--CA 1.498 1.97 0 O-C-N 121.519 -0.738 . . . . 0.0 109.674 -179.802 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 63.7 mm-40 -56.8 134.5 55.18 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.073 -1.017 . . . . 0.0 109.766 -179.386 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 87' ' ' PHE . . . . . 0.454 ' CE1' ' O ' ' A' ' 85' ' ' HIS . 1.9 m-85 -100.9 108.37 20.12 Favored 'General case' 0 N--CA 1.496 1.855 0 O-C-N 121.408 -0.808 . . . . 0.0 109.596 -179.853 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 23.2 m-85 . . . . . 0 N--CA 1.498 1.958 0 N-CA-C 108.152 -1.055 . . . . 0.0 108.152 179.036 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 45.2 t . . . . . 0 N--CA 1.49 1.572 0 CA-C-O 121.571 0.701 . . . . 0.0 109.261 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 99.6 mt-10 -70.0 -31.85 69.73 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.302 -0.874 . . . . 0.0 110.225 -179.846 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 9.3 tt -59.96 -49.36 77.98 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.208 -0.932 . . . . 0.0 110.584 -178.252 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 1.1 pp20? -61.09 -40.0 92.06 Favored 'General case' 0 N--CA 1.494 1.755 0 O-C-N 120.647 -1.283 . . . . 0.0 109.871 -179.408 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 87.2 tttt -66.3 -40.34 89.93 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 120.978 -1.077 . . . . 0.0 108.963 179.639 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -61.69 -40.7 95.92 Favored 'General case' 0 N--CA 1.488 1.438 0 O-C-N 121.515 -0.74 . . . . 0.0 110.114 -179.637 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 7' ' ' MET . . . . . . . . . . . . . 27.9 ttt -60.01 -39.99 87.71 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.239 -0.913 . . . . 0.0 109.502 -179.54 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 64.6 t -60.23 -39.89 82.05 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.583 0 O-C-N 121.361 -0.837 . . . . 0.0 109.594 179.459 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.59 -40.88 88.92 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.248 -0.908 . . . . 0.0 111.007 -178.227 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 10' ' ' LEU . . . . . 0.403 ' N ' ' CD2' ' B' ' 10' ' ' LEU . 4.1 mm? -60.04 -50.0 75.44 Favored 'General case' 0 N--CA 1.495 1.813 0 O-C-N 120.676 -1.265 . . . . 0.0 109.714 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 96.8 mt -60.12 -47.94 89.99 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.533 0 O-C-N 120.97 -1.081 . . . . 0.0 109.782 -179.647 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 10.6 t70 -61.5 -48.34 81.51 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.182 -0.949 . . . . 0.0 110.178 -179.643 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 54.6 t -66.87 -43.77 89.33 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.65 0 O-C-N 120.957 -1.089 . . . . 0.0 110.038 -179.356 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 14' ' ' PHE . . . . . . . . . . . . . 65.0 t80 -59.98 -45.68 91.91 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.048 -1.032 . . . . 0.0 110.033 -179.343 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 3.9 t-80 -61.19 -39.93 92.02 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.203 -0.936 . . . . 0.0 110.722 -178.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 65.9 mt-30 -63.87 -58.9 5.37 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 120.917 -1.114 . . . . 0.0 110.576 -178.908 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 49.6 m-85 -64.24 -40.0 95.12 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.02 -1.05 . . . . 0.0 110.263 -179.603 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 18' ' ' SER . . . . . 0.527 ' HG ' ' N ' ' B' ' 19' ' ' GLY . 60.7 p -65.67 -34.15 77.55 Favored 'General case' 0 C--N 1.298 -1.64 0 O-C-N 121.021 -1.049 . . . . 0.0 109.138 179.845 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 19' ' ' GLY . . . . . 0.527 ' N ' ' HG ' ' B' ' 18' ' ' SER . . . -80.7 -14.82 79.16 Favored Glycine 0 N--CA 1.494 2.508 0 C-N-CA 120.096 -1.049 . . . . 0.0 110.535 -179.75 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 23.5 mmt180 -60.08 -39.9 87.7 Favored 'General case' 0 N--CA 1.497 1.888 0 O-C-N 120.836 -1.39 . . . . 0.0 110.486 -179.827 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 13.9 pt-20 -154.35 168.17 27.53 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 120.991 -1.068 . . . . 0.0 110.172 -179.168 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . 101.18 176.19 28.98 Favored Glycine 0 N--CA 1.496 2.677 0 N-CA-C 108.862 -1.695 . . . . 0.0 108.862 -179.683 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 58.0 t0 -59.68 -56.36 22.78 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 120.995 -1.297 . . . . 0.0 108.989 -179.62 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 41.7 mtpt -154.24 -38.82 0.09 Allowed 'General case' 0 N--CA 1.494 1.766 0 O-C-N 121.199 -0.938 . . . . 0.0 110.019 178.734 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 25' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -159.41 75.65 0.66 Allowed 'General case' 0 N--CA 1.489 1.49 0 O-C-N 120.671 -1.268 . . . . 0.0 111.811 -178.744 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 56.6 pttt -144.62 158.81 43.61 Favored 'General case' 0 N--CA 1.497 1.921 0 O-C-N 121.096 -1.003 . . . . 0.0 108.423 177.737 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 89.0 mt -108.38 128.11 54.47 Favored 'General case' 0 N--CA 1.501 2.085 0 O-C-N 121.271 -0.893 . . . . 0.0 110.372 -178.516 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 55.7 tttp -105.45 165.45 11.13 Favored 'General case' 0 N--CA 1.494 1.73 0 N-CA-C 108.201 -1.037 . . . . 0.0 108.201 179.234 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 8.0 ttpm? -60.02 -43.16 95.46 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 120.79 -1.194 . . . . 0.0 110.551 -178.588 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 30' ' ' SER . . . . . 0.427 ' O ' ' OE1' ' B' ' 34' ' ' GLU . 94.7 p -60.61 -40.3 91.36 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 120.895 -1.128 . . . . 0.0 109.922 -179.576 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 85.5 tt0 -60.09 -37.74 80.83 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.383 -0.823 . . . . 0.0 110.072 179.893 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 96.0 mt -60.01 -40.05 87.89 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.196 -0.94 . . . . 0.0 111.017 -178.222 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 7.7 ttpm? -59.97 -49.58 77.13 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 120.415 -1.428 . . . . 0.0 110.116 -178.911 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 34' ' ' GLU . . . . . 0.488 ' OE1' ' N ' ' B' ' 34' ' ' GLU . 22.7 mp0 -69.86 -40.0 76.04 Favored 'General case' 0 N--CA 1.496 1.838 0 O-C-N 120.931 -1.106 . . . . 0.0 110.121 179.774 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 35' ' ' LEU . . . . . 0.462 ' O ' ' OD1' ' B' ' 38' ' ' ASN . 7.7 tt -62.15 -40.75 97.03 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.3 -0.875 . . . . 0.0 110.05 -179.41 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 89.1 mt -69.55 -39.96 79.04 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.597 0 O-C-N 121.156 -0.965 . . . . 0.0 110.722 -178.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 28.0 m-20 -60.03 -39.98 87.75 Favored 'General case' 0 N--CA 1.495 1.776 0 O-C-N 121.109 -0.994 . . . . 0.0 112.306 -178.194 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 38' ' ' ASN . . . . . 0.462 ' OD1' ' O ' ' B' ' 35' ' ' LEU . 7.5 p-10 -71.23 -40.02 71.34 Favored 'General case' 0 N--CA 1.495 1.785 0 O-C-N 120.449 -1.407 . . . . 0.0 111.942 -178.086 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -91.79 -79.75 0.37 Allowed 'General case' 0 N--CA 1.504 2.249 0 O-C-N 120.555 -1.341 . . . . 0.0 110.906 -178.92 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 11.1 mp -72.69 138.5 46.65 Favored 'General case' 0 N--CA 1.497 1.905 0 O-C-N 120.897 -1.127 . . . . 0.0 110.645 -178.494 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 40.5 p -147.99 -53.63 0.2 Allowed 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.61 -0.682 . . . . 0.0 109.524 179.479 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 42' ' ' HIS . . . . . . . . . . . . . 38.0 m80 -91.0 -12.82 34.68 Favored 'General case' 0 N--CA 1.498 1.933 0 O-C-N 121.125 -0.985 . . . . 0.0 110.296 -179.622 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 57.9 m-85 -60.01 -39.94 87.54 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 120.782 -1.199 . . . . 0.0 108.881 -179.613 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 44' ' ' LEU . . . . . 0.579 ' CD1' ' N ' ' B' ' 44' ' ' LEU . 0.0 OUTLIER -108.72 163.44 13.26 Favored 'General case' 0 N--CA 1.499 2.013 0 N-CA-C 107.397 -1.335 . . . . 0.0 107.397 177.909 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' B' B ' 45' ' ' GLU . . . . . 0.491 ' OE1' ' N ' ' B' ' 45' ' ' GLU . 56.6 mp0 -54.57 -62.21 1.8 Allowed 'General case' 0 N--CA 1.491 1.594 0 O-C-N 120.579 -1.326 . . . . 0.0 109.468 -178.358 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 81.1 tt0 -179.09 142.77 0.2 Allowed 'General case' 0 N--CA 1.497 1.888 0 N-CA-C 109.042 -0.725 . . . . 0.0 109.042 179.22 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 39.9 mm -84.67 120.25 34.96 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.767 0 O-C-N 120.909 -1.119 . . . . 0.0 108.806 179.519 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 32.0 tttm -161.22 -23.45 0.05 Allowed 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.09 -1.006 . . . . 0.0 109.995 179.812 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 49' ' ' GLU . . . . . 0.511 ' OE1' ' N ' ' B' ' 49' ' ' GLU . 57.7 mp0 -101.93 139.97 36.85 Favored 'General case' 0 N--CA 1.496 1.871 0 O-C-N 121.17 -0.956 . . . . 0.0 109.324 179.884 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 26.3 mm100 -68.37 -33.57 74.5 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.425 -0.797 . . . . 0.0 109.593 -179.867 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 59.7 mp0 -60.03 -39.97 87.73 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.348 -0.845 . . . . 0.0 110.249 -179.044 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 74.5 t -59.99 -40.58 83.48 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.626 0 O-C-N 121.062 -1.024 . . . . 0.0 109.725 -178.825 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 54.5 t -69.96 -41.44 79.42 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.601 0 O-C-N 121.128 -0.983 . . . . 0.0 109.589 179.823 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 56.8 t0 -60.21 -44.48 95.12 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.175 -0.953 . . . . 0.0 109.489 -179.6 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 62.7 tttp -60.12 -47.89 84.02 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.326 -0.858 . . . . 0.0 110.204 -179.534 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 54.6 t -67.66 -41.08 85.14 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.581 0 O-C-N 121.185 -0.947 . . . . 0.0 109.61 -179.211 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 57' ' ' MET . . . . . 0.464 ' O ' ' SD ' ' B' ' 57' ' ' MET . 0.0 OUTLIER -66.29 -45.07 81.69 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.411 -0.806 . . . . 0.0 110.09 -179.261 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 7.4 tm-20 -67.44 -44.4 78.78 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.344 -0.847 . . . . 0.0 110.81 -178.904 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 94.0 m -65.76 -40.06 91.68 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.037 -1.039 . . . . 0.0 110.129 -179.228 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 4.1 tt -64.23 -48.01 77.48 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.22 -0.925 . . . . 0.0 109.484 -179.662 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 61' ' ' ASP . . . . . 0.523 ' OD2' ' N ' ' B' ' 65' ' ' ASP . 31.4 t0 -76.51 95.62 3.92 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.07 -1.019 . . . . 0.0 109.036 -179.929 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 88.1 mt-10 -68.55 -39.98 80.87 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.361 -0.837 . . . . 0.0 110.462 -179.274 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 63' ' ' ASP . . . . . 0.455 ' OD2' ' OD2' ' B' ' 65' ' ' ASP . 29.7 p30 -93.6 1.48 56.66 Favored 'General case' 0 N--CA 1.498 1.947 0 O-C-N 121.156 -0.965 . . . . 0.0 110.146 -179.374 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 61.03 45.78 95.9 Favored Glycine 0 N--CA 1.491 2.347 0 N-CA-C 110.055 -1.218 . . . . 0.0 110.055 179.478 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 65' ' ' ASP . . . . . 0.523 ' N ' ' OD2' ' B' ' 61' ' ' ASP . 95.4 m-20 -69.64 -19.04 63.63 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.127 -1.22 . . . . 0.0 109.456 179.735 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 87.94 -9.8 73.0 Favored Glycine 0 N--CA 1.491 2.329 0 N-CA-C 108.447 -1.861 . . . . 0.0 108.447 -179.439 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 13.6 pt-20 -144.65 154.29 42.64 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.655 -0.909 . . . . 0.0 109.306 -179.752 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 68' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -112.97 129.45 56.48 Favored 'General case' 0 N--CA 1.502 2.13 0 N-CA-C 108.948 -0.76 . . . . 0.0 108.948 179.91 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 69' ' ' ASP . . . . . 0.515 ' CG ' ' H ' ' B' ' 70' ' ' PHE . 16.3 t70 -90.52 -177.71 5.12 Favored 'General case' 0 N--CA 1.494 1.743 0 O-C-N 121.436 -0.79 . . . . 0.0 110.007 -179.67 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 70' ' ' PHE . . . . . 0.515 ' H ' ' CG ' ' B' ' 69' ' ' ASP . 28.6 t80 -60.0 -41.31 91.83 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.497 -0.752 . . . . 0.0 109.419 -179.859 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 66.2 tp60 -60.02 -43.41 95.27 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.311 -0.868 . . . . 0.0 109.368 -179.793 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 79.8 mt-10 -69.45 -29.97 67.78 Favored 'General case' 0 C--N 1.303 -1.44 0 O-C-N 121.19 -0.944 . . . . 0.0 109.611 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 73' ' ' PHE . . . . . . . . . . . . . 76.2 t80 -60.11 -43.79 95.33 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.002 -1.061 . . . . 0.0 109.136 179.411 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 74' ' ' MET . . . . . . . . . . . . . 97.6 mmm -60.13 -35.54 75.5 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.333 -0.854 . . . . 0.0 108.746 179.159 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -60.08 -37.76 80.86 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.515 -0.74 . . . . 0.0 109.73 -179.83 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -57.89 -51.09 71.04 Favored 'General case' 0 N--CA 1.493 1.715 0 N-CA-C 108.356 -0.979 . . . . 0.0 108.356 -179.792 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 77' ' ' VAL . . . . . . . . . . . . . 60.0 t -66.47 -42.48 90.32 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.529 0 O-C-N 121.379 -0.826 . . . . 0.0 110.367 -179.474 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 78' ' ' SER . . . . . . . . . . . . . 59.7 p -60.59 -46.73 89.13 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.157 -0.964 . . . . 0.0 110.6 -178.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 79' ' ' MET . . . . . . . . . . . . . 9.7 ttm -60.0 -50.05 75.25 Favored 'General case' 0 N--CA 1.494 1.745 0 O-C-N 121.026 -1.046 . . . . 0.0 109.963 -179.596 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 64.0 t -67.83 -39.85 82.6 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.482 0 O-C-N 121.474 -0.766 . . . . 0.0 109.89 -179.093 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 81' ' ' THR . . . . . 0.496 ' O ' ' SG ' ' B' ' 84' ' ' CYS . 87.7 m -59.97 -40.18 88.17 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.226 -0.921 . . . . 0.0 110.127 -178.385 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 29.3 p -69.98 -38.27 75.98 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 120.952 -1.092 . . . . 0.0 109.369 179.607 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -79.47 -11.09 59.91 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.318 -0.864 . . . . 0.0 109.786 -179.874 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 84' ' ' CYS . . . . . 0.5 ' O ' ' SG ' ' B' ' 84' ' ' CYS . 11.4 p -54.88 126.13 23.08 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.169 -0.957 . . . . 0.0 109.758 -179.645 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 85' ' ' HIS . . . . . 0.481 ' O ' ' CE1' ' B' ' 87' ' ' PHE . 0.6 OUTLIER -107.3 19.98 19.58 Favored 'General case' 0 N--CA 1.499 1.995 0 O-C-N 121.499 -0.75 . . . . 0.0 109.588 -179.719 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 63.7 mm-40 -56.86 134.43 55.29 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.189 -0.944 . . . . 0.0 109.549 -179.437 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 87' ' ' PHE . . . . . 0.481 ' CE1' ' O ' ' B' ' 85' ' ' HIS . 2.0 m-85 -100.78 108.56 20.41 Favored 'General case' 0 N--CA 1.494 1.764 0 O-C-N 121.493 -0.755 . . . . 0.0 109.613 -179.841 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 22.8 m-85 . . . . . 0 N--CA 1.498 1.972 0 N-CA-C 108.205 -1.035 . . . . 0.0 108.205 179.099 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 28.2 t . . . . . 0 N--CA 1.489 1.516 0 CA-C-O 121.466 0.651 . . . . 0.0 109.585 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 63.4 mm-40 -59.94 -36.59 77.38 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.487 -0.758 . . . . 0.0 109.319 179.874 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -59.24 -48.28 82.22 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.337 -0.852 . . . . 0.0 109.298 -179.334 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . 0.483 ' OE1' ' CE1' ' B' ' 43' ' ' PHE . 43.0 mm-40 -60.84 -42.15 97.22 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 120.894 -1.129 . . . . 0.0 109.593 -179.938 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 54.3 mttp -68.76 -38.4 80.07 Favored 'General case' 0 N--CA 1.495 1.797 0 O-C-N 121.425 -0.797 . . . . 0.0 110.622 -179.903 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -59.23 -39.93 84.31 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.086 -1.009 . . . . 0.0 109.359 -179.022 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 36.3 tpp -60.04 -44.49 94.63 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.218 -0.927 . . . . 0.0 108.886 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 76.7 t -69.94 -40.01 78.19 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.716 0 O-C-N 121.301 -0.874 . . . . 0.0 110.06 179.709 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -47.55 -50.84 22.76 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.277 -0.889 . . . . 0.0 110.632 -178.265 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 10.0 mp -60.08 -43.12 95.72 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 120.816 -1.178 . . . . 0.0 109.94 -179.45 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 96.7 mt -69.99 -40.04 78.13 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.66 0 O-C-N 121.21 -0.932 . . . . 0.0 111.002 -179.082 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 37.2 t0 -65.23 -49.95 67.71 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.111 -0.993 . . . . 0.0 110.651 -178.698 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 53.9 t -67.2 -46.99 82.94 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.563 0 O-C-N 121.113 -0.992 . . . . 0.0 110.161 -178.933 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 62.5 t80 -60.05 -49.53 77.29 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.121 -0.987 . . . . 0.0 110.321 -179.203 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 86.3 t60 -60.0 -47.57 85.3 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.191 -0.943 . . . . 0.0 110.968 -178.902 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 45.9 mt-30 -64.99 -53.9 38.88 Favored 'General case' 0 C--N 1.3 -1.571 0 O-C-N 121.172 -0.955 . . . . 0.0 111.408 -178.496 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 63.4 t80 -69.74 -40.93 75.87 Favored 'General case' 0 N--CA 1.495 1.78 0 O-C-N 120.995 -1.066 . . . . 0.0 111.239 -178.422 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 23.3 t -64.3 -40.17 95.4 Favored 'General case' 0 N--CA 1.494 1.736 0 O-C-N 121.123 -0.986 . . . . 0.0 111.408 -178.487 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -69.6 -14.7 70.05 Favored Glycine 0 N--CA 1.495 2.611 0 C-N-CA 119.856 -1.164 . . . . 0.0 110.999 -178.287 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 19.7 mmt180 -63.1 -40.02 96.4 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 120.917 -1.343 . . . . 0.0 109.971 -179.709 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 77.6 mm-40 -113.56 129.81 56.48 Favored 'General case' 0 N--CA 1.5 2.039 0 O-C-N 121.456 -0.777 . . . . 0.0 109.763 -179.428 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 84.22 -13.54 49.76 Favored Glycine 0 N--CA 1.495 2.6 0 N-CA-C 110.007 -1.237 . . . . 0.0 110.007 179.518 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 45.3 t0 50.07 40.01 20.49 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.215 -1.168 . . . . 0.0 109.612 -179.917 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 28.5 ttmt -160.11 -125.49 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.092 -1.005 . . . . 0.0 108.893 179.681 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 97.6 m-70 -146.38 75.86 1.42 Allowed 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.029 -1.044 . . . . 0.0 109.358 179.815 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -145.78 147.5 31.94 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.41 -0.806 . . . . 0.0 109.399 179.568 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 41.3 mt -128.95 126.93 40.7 Favored 'General case' 0 N--CA 1.496 1.84 0 N-CA-C 108.503 -0.925 . . . . 0.0 108.503 179.627 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.42 ' NZ ' ' CB ' ' A' ' 28' ' ' LYS . 0.1 OUTLIER -100.77 -176.62 3.23 Favored 'General case' 0 N--CA 1.498 1.928 0 O-C-N 121.335 -0.853 . . . . 0.0 109.11 179.722 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 1.6 mppt? -60.06 -49.52 77.34 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.195 -0.94 . . . . 0.0 110.608 -178.828 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 62.7 m -63.03 -43.2 99.36 Favored 'General case' 0 N--CA 1.495 1.781 0 O-C-N 121.136 -0.977 . . . . 0.0 110.864 -179.047 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 84.7 tt0 -64.64 -39.96 94.63 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.299 -0.876 . . . . 0.0 110.532 -179.025 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 55.5 tp -59.97 -49.38 77.92 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.187 -0.946 . . . . 0.0 109.327 -178.738 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 9.6 mtpm? -60.73 -40.17 91.37 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.093 -1.004 . . . . 0.0 109.833 179.911 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 72.7 mm-40 -65.73 -39.98 91.7 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.311 -0.868 . . . . 0.0 110.074 -179.722 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 3.1 tt -60.67 -46.13 91.51 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.173 -0.955 . . . . 0.0 109.061 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 89.1 mt -60.02 -42.47 89.78 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.653 0 O-C-N 121.195 -0.941 . . . . 0.0 109.805 -179.754 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 82.5 m-20 -72.04 -15.73 62.04 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.344 -0.847 . . . . 0.0 110.239 -179.514 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . 0.429 ' OD1' ' OE1' ' A' ' 39' ' ' GLU . 41.4 t-20 -59.89 -50.11 75.05 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.093 -1.004 . . . . 0.0 110.677 -178.259 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . 0.429 ' OE1' ' OD1' ' A' ' 38' ' ' ASN . 0.6 OUTLIER -154.58 -14.85 0.12 Allowed 'General case' 0 N--CA 1.501 2.078 0 O-C-N 120.542 -1.349 . . . . 0.0 110.21 179.099 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 11.1 mp -85.47 7.86 21.21 Favored 'General case' 0 N--CA 1.495 1.78 0 O-C-N 120.887 -1.133 . . . . 0.0 109.049 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 38.9 p -59.99 -39.94 87.46 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.291 -0.88 . . . . 0.0 109.53 179.905 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 46.7 t-80 -63.49 -42.14 98.55 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.227 -0.921 . . . . 0.0 110.085 -179.553 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . 0.502 ' CE1' ' OE1' ' B' ' 4' ' ' GLU . 4.4 m-85 -69.26 -46.89 66.17 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.161 -0.962 . . . . 0.0 110.245 -179.516 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 66.2 mt -116.63 130.06 56.52 Favored 'General case' 0 N--CA 1.499 1.993 0 O-C-N 121.488 -0.758 . . . . 0.0 109.68 -179.217 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . 0.4 ' O ' ' CD ' ' A' ' 45' ' ' GLU . 11.4 tm-20 -150.91 10.55 0.62 Allowed 'General case' 0 N--CA 1.491 1.607 0 N-CA-C 108.777 -0.823 . . . . 0.0 108.777 -179.812 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -78.25 -10.03 59.48 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.084 -1.01 . . . . 0.0 109.526 -179.887 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . 0.433 HG22 HD11 ' A' ' 47' ' ' ILE . 94.5 mt -73.85 127.6 35.78 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.393 0 C-N-CA 119.482 -0.887 . . . . 0.0 109.466 -179.728 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 41.2 tttp -136.35 -53.49 0.73 Allowed 'General case' 0 N--CA 1.494 1.764 0 O-C-N 121.547 -0.721 . . . . 0.0 109.194 -179.813 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 27.1 mp0 -93.29 148.52 21.97 Favored 'General case' 0 N--CA 1.497 1.924 0 O-C-N 121.066 -1.021 . . . . 0.0 109.619 179.423 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 3.1 mp0 -60.0 -32.01 70.46 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.373 -0.83 . . . . 0.0 109.641 -179.933 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -59.82 -37.46 79.26 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.336 -0.853 . . . . 0.0 109.505 -179.223 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 53.5 t -59.98 -40.32 82.72 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.515 0 O-C-N 121.156 -0.965 . . . . 0.0 109.186 -179.629 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 54.4 t -64.97 -41.22 91.54 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.606 0 O-C-N 121.024 -1.048 . . . . 0.0 109.226 179.277 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 8.4 t70 -60.41 -43.25 96.89 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.224 -0.923 . . . . 0.0 109.529 179.901 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 32.9 ttmt -59.95 -43.5 94.97 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.456 -0.778 . . . . 0.0 109.949 -179.757 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 53.8 t -66.01 -40.16 86.53 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.499 0 O-C-N 121.228 -0.92 . . . . 0.0 109.649 -179.419 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 3.7 ttt -63.6 -44.92 92.58 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.154 -0.966 . . . . 0.0 110.333 -179.675 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 38.4 mm-40 -61.81 -40.22 94.47 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 120.946 -1.096 . . . . 0.0 109.638 -179.835 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 94.4 m -70.07 -43.33 71.4 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.396 -0.815 . . . . 0.0 109.72 179.612 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 34.3 tp -62.52 -46.91 86.25 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.45 -0.781 . . . . 0.0 110.563 -179.391 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 95.8 m-20 -80.22 111.32 16.48 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.079 -1.013 . . . . 0.0 109.522 -179.297 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 26.0 mp0 -70.0 -39.79 75.68 Favored 'General case' 0 C--N 1.303 -1.445 0 O-C-N 121.565 -0.71 . . . . 0.0 109.902 -179.788 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . 0.402 ' OD1' ' N ' ' A' ' 63' ' ' ASP . 36.7 p-10 -86.99 -6.77 58.65 Favored 'General case' 0 N--CA 1.495 1.822 0 O-C-N 121.183 -0.948 . . . . 0.0 110.351 -179.306 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 56.89 43.15 92.66 Favored Glycine 0 N--CA 1.49 2.297 0 N-CA-C 109.797 -1.321 . . . . 0.0 109.797 179.619 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 33.3 p-10 -68.44 -20.33 64.63 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 120.962 -1.316 . . . . 0.0 109.385 -179.792 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 102.34 -11.84 56.91 Favored Glycine 0 N--CA 1.499 2.889 0 N-CA-C 110.422 -1.071 . . . . 0.0 110.422 179.391 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 20.8 pt-20 -141.44 155.44 45.86 Favored 'General case' 0 N--CA 1.497 1.891 0 O-C-N 120.979 -1.306 . . . . 0.0 109.358 179.715 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 98.1 m -102.15 123.85 46.72 Favored 'General case' 0 N--CA 1.499 2.007 0 O-C-N 121.322 -0.861 . . . . 0.0 109.942 -179.458 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 71.9 m-20 -96.68 175.82 6.24 Favored 'General case' 0 N--CA 1.496 1.837 0 O-C-N 121.476 -0.765 . . . . 0.0 109.663 -179.855 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 73.8 t80 -60.07 -41.45 92.44 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.313 -0.867 . . . . 0.0 110.365 -179.596 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 93.0 mt-30 -60.0 -42.02 93.33 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 120.753 -1.217 . . . . 0.0 109.788 179.805 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 76.9 mt-10 -68.8 -38.32 79.85 Favored 'General case' 0 C--N 1.302 -1.482 0 O-C-N 121.446 -0.784 . . . . 0.0 110.021 -179.601 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 64.4 t80 -60.0 -40.45 89.23 Favored 'General case' 0 N--CA 1.494 1.733 0 O-C-N 121.175 -0.953 . . . . 0.0 110.604 -179.474 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' MET . . . . . 0.523 ' SD ' ' O ' ' A' ' 74' ' ' MET . 0.0 OUTLIER -60.11 -40.6 90.24 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 120.833 -1.167 . . . . 0.0 108.524 -179.748 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -60.78 -38.6 85.84 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.429 -0.794 . . . . 0.0 109.985 179.29 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 66.0 t80 -60.01 -44.11 94.8 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.259 -0.901 . . . . 0.0 110.231 -179.168 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 61.4 t -60.01 -44.27 94.38 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.474 0 O-C-N 120.973 -1.079 . . . . 0.0 109.035 179.837 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' SER . . . . . 0.477 ' OG ' ' SD ' ' B' ' 74' ' ' MET . 57.2 m -60.1 -39.96 87.98 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.366 -0.833 . . . . 0.0 110.395 -179.534 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 95.5 mtp -64.57 -40.01 94.79 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.203 -0.936 . . . . 0.0 109.92 -179.49 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 83.4 t -69.37 -41.77 80.96 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.499 0 O-C-N 121.214 -0.929 . . . . 0.0 109.408 -179.68 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' THR . . . . . 0.505 ' O ' ' SG ' ' A' ' 84' ' ' CYS . 94.4 m -64.6 -42.74 95.37 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.243 -0.911 . . . . 0.0 109.474 -179.705 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 28.7 p -70.54 -38.75 74.23 Favored 'General case' 0 C--N 1.302 -1.484 0 O-C-N 121.214 -0.929 . . . . 0.0 109.385 179.541 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -68.04 -40.09 82.92 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.323 -0.86 . . . . 0.0 110.145 -179.814 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 84' ' ' CYS . . . . . 0.505 ' SG ' ' O ' ' A' ' 81' ' ' THR . 14.5 p -61.98 150.39 38.02 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.099 -1.001 . . . . 0.0 109.477 -179.773 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 16.3 m-70 -72.6 149.65 43.78 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.215 -0.928 . . . . 0.0 109.674 -179.606 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 92.1 mt-10 -67.58 -39.98 84.86 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.223 -0.923 . . . . 0.0 109.702 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 8.6 m-85 -92.65 100.47 12.97 Favored 'General case' 0 N--CA 1.496 1.844 0 O-C-N 121.206 -0.933 . . . . 0.0 110.57 -178.89 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 15.9 t80 . . . . . 0 N--CA 1.496 1.863 0 N-CA-C 108.17 -1.048 . . . . 0.0 108.17 178.543 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 32.6 t . . . . . 0 N--CA 1.489 1.511 0 CA-C-O 121.435 0.636 . . . . 0.0 109.515 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 62.4 mm-40 -60.04 -36.41 77.25 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.46 -0.775 . . . . 0.0 109.425 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -59.62 -47.92 83.68 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.276 -0.89 . . . . 0.0 109.276 -179.267 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 4' ' ' GLU . . . . . 0.502 ' OE1' ' CE1' ' A' ' 43' ' ' PHE . 42.9 mm-40 -60.62 -42.35 96.69 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 120.858 -1.151 . . . . 0.0 109.673 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 55.6 mttp -68.93 -37.76 79.1 Favored 'General case' 0 N--CA 1.496 1.837 0 O-C-N 121.415 -0.803 . . . . 0.0 110.658 -179.83 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -59.37 -40.05 85.27 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.167 -0.958 . . . . 0.0 109.183 -179.132 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 7' ' ' MET . . . . . . . . . . . . . 36.5 tpp -59.97 -44.61 94.35 Favored 'General case' 0 C--N 1.301 -1.535 0 O-C-N 121.273 -0.892 . . . . 0.0 108.902 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 73.8 t -69.98 -39.92 78.01 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.667 0 O-C-N 121.463 -0.773 . . . . 0.0 110.099 179.899 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -47.87 -50.87 25.12 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.302 -0.874 . . . . 0.0 110.669 -178.237 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 9.5 mp -60.15 -43.12 96.02 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 120.979 -1.076 . . . . 0.0 109.838 -179.483 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 96.9 mt -69.95 -39.96 78.12 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.641 0 O-C-N 121.081 -1.012 . . . . 0.0 110.974 -179.027 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 37.9 t0 -65.18 -49.98 67.71 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 120.899 -1.126 . . . . 0.0 110.604 -178.766 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 67.5 t -67.16 -46.96 83.1 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.597 0 O-C-N 121.182 -0.949 . . . . 0.0 110.129 -178.804 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 14' ' ' PHE . . . . . . . . . . . . . 62.1 t80 -59.93 -49.63 76.94 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 120.995 -1.066 . . . . 0.0 110.338 -179.23 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 86.4 t60 -60.02 -47.81 84.31 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.226 -0.921 . . . . 0.0 110.849 -178.811 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 46.3 mt-30 -64.84 -53.9 39.51 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.027 -1.046 . . . . 0.0 111.381 -178.459 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 62.9 t80 -69.74 -40.93 75.88 Favored 'General case' 0 N--CA 1.496 1.84 0 O-C-N 120.961 -1.087 . . . . 0.0 111.275 -178.395 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 23.2 t -64.5 -39.93 94.71 Favored 'General case' 0 N--CA 1.495 1.775 0 O-C-N 121.039 -1.038 . . . . 0.0 111.573 -178.463 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -70.04 -14.24 70.66 Favored Glycine 0 N--CA 1.495 2.6 0 C-N-CA 119.833 -1.175 . . . . 0.0 110.828 -178.214 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 19.9 mmt180 -63.18 -39.98 96.2 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 120.795 -1.415 . . . . 0.0 110.046 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 77.3 mm-40 -113.72 129.29 56.6 Favored 'General case' 0 N--CA 1.5 2.029 0 O-C-N 121.514 -0.741 . . . . 0.0 109.823 -179.441 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . 84.8 -13.39 53.54 Favored Glycine 0 N--CA 1.494 2.531 0 N-CA-C 109.944 -1.262 . . . . 0.0 109.944 179.464 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 43.9 t0 50.01 40.04 20.32 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.235 -1.156 . . . . 0.0 109.79 -179.884 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 29.2 ttmt -160.18 -125.19 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.216 -0.927 . . . . 0.0 108.952 179.761 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 25' ' ' HIS . . . . . . . . . . . . . 97.9 m-70 -146.77 75.38 1.39 Allowed 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.042 -1.036 . . . . 0.0 109.307 179.927 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -145.31 147.65 32.56 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 121.47 -0.768 . . . . 0.0 109.377 179.46 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 46.8 mt -128.73 127.07 41.35 Favored 'General case' 0 N--CA 1.495 1.811 0 N-CA-C 108.515 -0.92 . . . . 0.0 108.515 179.573 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 28' ' ' LYS . . . . . 0.435 ' CB ' ' NZ ' ' B' ' 28' ' ' LYS . 0.1 OUTLIER -100.86 -176.71 3.25 Favored 'General case' 0 N--CA 1.498 1.938 0 O-C-N 121.327 -0.858 . . . . 0.0 109.078 179.582 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 1.8 mppt? -59.95 -49.73 76.55 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.284 -0.885 . . . . 0.0 110.553 -179.003 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 68.1 m -62.86 -43.57 98.46 Favored 'General case' 0 N--CA 1.495 1.808 0 O-C-N 121.097 -1.002 . . . . 0.0 110.852 -179.029 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 31' ' ' GLU . . . . . 0.402 ' H ' ' HG3' ' B' ' 28' ' ' LYS . 85.6 tt0 -64.41 -39.96 94.85 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.303 -0.873 . . . . 0.0 110.55 -179.018 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 63.5 tp -59.95 -49.43 77.7 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.2 -0.938 . . . . 0.0 109.362 -178.768 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 9.8 mtpm? -60.55 -40.36 91.31 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.097 -1.002 . . . . 0.0 109.835 179.804 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 72.7 mm-40 -65.56 -40.04 92.35 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.344 -0.847 . . . . 0.0 110.052 -179.69 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 2.8 tt -60.61 -46.16 91.3 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.052 -1.03 . . . . 0.0 109.096 -179.94 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 36' ' ' ILE . . . . . 0.408 HD11 HG22 ' B' ' 36' ' ' ILE . 89.3 mt -60.03 -42.54 90.06 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.643 0 O-C-N 121.179 -0.951 . . . . 0.0 109.797 -179.746 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 82.6 m-20 -72.07 -15.47 62.02 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.359 -0.838 . . . . 0.0 110.281 -179.588 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 38' ' ' ASN . . . . . 0.415 ' OD1' ' OE1' ' B' ' 39' ' ' GLU . 41.2 t-20 -60.03 -50.03 75.32 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.204 -0.935 . . . . 0.0 110.696 -178.357 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 39' ' ' GLU . . . . . 0.415 ' OE1' ' OD1' ' B' ' 38' ' ' ASN . 0.7 OUTLIER -154.71 -14.97 0.12 Allowed 'General case' 0 N--CA 1.499 2.017 0 O-C-N 120.497 -1.377 . . . . 0.0 110.263 179.095 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 11.0 mp -85.31 7.66 21.47 Favored 'General case' 0 N--CA 1.495 1.795 0 O-C-N 120.911 -1.118 . . . . 0.0 109.053 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 28.0 p -59.94 -39.96 87.32 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.355 -0.841 . . . . 0.0 109.634 179.844 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 42' ' ' HIS . . . . . . . . . . . . . 47.0 t-80 -63.38 -42.53 98.84 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.245 -0.909 . . . . 0.0 110.037 -179.525 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 43' ' ' PHE . . . . . 0.483 ' CE1' ' OE1' ' A' ' 4' ' ' GLU . 4.4 m-85 -69.09 -46.67 67.17 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.199 -0.938 . . . . 0.0 110.14 -179.473 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 69.3 mt -116.62 129.89 56.42 Favored 'General case' 0 N--CA 1.499 1.982 0 O-C-N 121.487 -0.758 . . . . 0.0 109.717 -179.086 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 45' ' ' GLU . . . . . 0.4 ' O ' ' CD ' ' B' ' 45' ' ' GLU . 11.3 tm-20 -150.95 10.78 0.63 Allowed 'General case' 0 N--CA 1.492 1.65 0 N-CA-C 108.839 -0.8 . . . . 0.0 108.839 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -78.52 -10.04 59.57 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.021 -1.049 . . . . 0.0 109.594 -179.871 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 90.3 mt -73.54 127.36 35.39 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.459 0 O-C-N 121.165 -0.96 . . . . 0.0 109.331 -179.876 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 43.0 tttp -135.89 -53.7 0.76 Allowed 'General case' 0 N--CA 1.493 1.724 0 N-CA-C 109.041 -0.725 . . . . 0.0 109.041 -179.788 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 27.2 mp0 -93.45 148.93 21.63 Favored 'General case' 0 N--CA 1.498 1.971 0 O-C-N 121.237 -0.914 . . . . 0.0 109.718 179.564 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 3.2 mp0 -60.01 -32.17 70.62 Favored 'General case' 0 N--CA 1.494 1.768 0 O-C-N 121.393 -0.817 . . . . 0.0 109.631 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -60.06 -37.09 78.83 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.296 -0.878 . . . . 0.0 109.521 -179.337 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 58.1 t -60.03 -40.86 84.4 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.493 0 O-C-N 121.219 -0.925 . . . . 0.0 109.242 -179.889 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 54.4 t -64.83 -41.39 92.05 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.587 0 O-C-N 121.004 -1.06 . . . . 0.0 109.046 179.756 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 8.4 t70 -60.18 -42.75 95.68 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.22 -0.925 . . . . 0.0 109.594 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 33.2 ttmt -60.68 -42.92 98.08 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.3 -0.875 . . . . 0.0 109.821 -179.79 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 77.5 t -66.3 -40.11 85.94 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.479 0 O-C-N 121.23 -0.918 . . . . 0.0 109.62 -179.537 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 57' ' ' MET . . . . . . . . . . . . . 3.8 ttt -63.71 -44.54 93.3 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.146 -0.971 . . . . 0.0 110.344 -179.43 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 38.2 mm-40 -62.2 -40.18 95.22 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 120.994 -1.066 . . . . 0.0 109.603 -179.882 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 94.2 m -70.01 -43.33 71.59 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.31 -0.869 . . . . 0.0 109.753 179.625 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 35.7 tp -62.46 -47.08 85.6 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.51 -0.744 . . . . 0.0 110.595 -179.454 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 95.5 m-20 -80.07 111.22 16.21 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.096 -1.002 . . . . 0.0 109.598 -179.348 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 25.9 mp0 -69.97 -39.96 75.66 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.566 -0.709 . . . . 0.0 109.86 -179.694 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 37.3 p-10 -86.71 -7.04 58.64 Favored 'General case' 0 N--CA 1.495 1.792 0 O-C-N 121.278 -0.889 . . . . 0.0 110.341 -179.483 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 57.01 42.96 93.24 Favored Glycine 0 N--CA 1.49 2.282 0 N-CA-C 109.872 -1.291 . . . . 0.0 109.872 179.623 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 33.7 p-10 -68.38 -20.33 64.68 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.0 -1.294 . . . . 0.0 109.295 -179.762 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 102.3 -11.39 56.91 Favored Glycine 0 N--CA 1.498 2.827 0 N-CA-C 110.507 -1.037 . . . . 0.0 110.507 179.281 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 20.7 pt-20 -141.59 155.05 45.78 Favored 'General case' 0 N--CA 1.497 1.891 0 O-C-N 121.081 -1.247 . . . . 0.0 109.266 179.663 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 68' ' ' CYS . . . . . . . . . . . . . 83.5 m -101.83 124.06 46.83 Favored 'General case' 0 N--CA 1.5 2.043 0 O-C-N 121.31 -0.869 . . . . 0.0 109.934 -179.509 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 73.0 m-20 -96.71 175.64 6.3 Favored 'General case' 0 N--CA 1.495 1.802 0 O-C-N 121.551 -0.718 . . . . 0.0 109.607 -179.891 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 71.3 t80 -60.03 -41.09 91.5 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.362 -0.836 . . . . 0.0 110.3 -179.571 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 90.1 mt-30 -60.02 -42.5 94.47 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 120.941 -1.099 . . . . 0.0 109.724 179.904 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 76.1 mt-10 -68.7 -38.02 79.98 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.311 -0.868 . . . . 0.0 109.99 -179.671 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 73' ' ' PHE . . . . . . . . . . . . . 64.7 t80 -60.03 -40.38 89.13 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.097 -1.002 . . . . 0.0 110.639 -179.358 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 74' ' ' MET . . . . . 0.515 ' SD ' ' O ' ' B' ' 74' ' ' MET . 0.0 OUTLIER -60.04 -40.69 90.25 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 120.923 -1.11 . . . . 0.0 108.501 -179.823 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -60.85 -38.8 86.75 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.485 -0.759 . . . . 0.0 110.015 179.415 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 64.7 t80 -59.97 -43.88 94.82 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.294 -0.878 . . . . 0.0 110.237 -179.168 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 77' ' ' VAL . . . . . . . . . . . . . 53.4 t -60.07 -44.57 95.21 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.511 0 O-C-N 121.033 -1.042 . . . . 0.0 109.043 179.746 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 78' ' ' SER . . . . . 0.513 ' OG ' ' SD ' ' A' ' 74' ' ' MET . 52.3 m -59.97 -40.07 87.82 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.481 -0.762 . . . . 0.0 110.371 -179.449 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 79' ' ' MET . . . . . . . . . . . . . 96.6 mtp -64.28 -40.05 95.17 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.094 -1.004 . . . . 0.0 109.932 -179.395 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 73.8 t -69.43 -41.68 80.78 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.413 0 O-C-N 121.229 -0.92 . . . . 0.0 109.482 -179.773 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 81' ' ' THR . . . . . 0.499 ' O ' ' SG ' ' B' ' 84' ' ' CYS . 94.7 m -64.48 -42.9 95.61 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.229 -0.92 . . . . 0.0 109.6 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 20.2 p -70.38 -39.11 74.75 Favored 'General case' 0 C--N 1.302 -1.49 0 O-C-N 121.176 -0.953 . . . . 0.0 109.363 179.432 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -67.72 -39.98 84.27 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.415 -0.803 . . . . 0.0 110.259 -179.605 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 84' ' ' CYS . . . . . 0.499 ' SG ' ' O ' ' B' ' 81' ' ' THR . 14.7 p -62.24 150.33 39.37 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 120.943 -1.098 . . . . 0.0 109.431 -179.904 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 85' ' ' HIS . . . . . . . . . . . . . 16.3 m-70 -72.36 149.98 43.87 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.209 -0.932 . . . . 0.0 109.622 -179.648 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 92.2 mt-10 -67.92 -40.05 83.42 Favored 'General case' 0 N--CA 1.488 1.454 0 O-C-N 121.305 -0.872 . . . . 0.0 109.698 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 87' ' ' PHE . . . . . . . . . . . . . 7.9 m-85 -92.6 100.53 13.03 Favored 'General case' 0 N--CA 1.496 1.853 0 O-C-N 121.199 -0.938 . . . . 0.0 110.468 -178.874 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 15.9 t80 . . . . . 0 N--CA 1.496 1.848 0 N-CA-C 108.167 -1.049 . . . . 0.0 108.167 178.535 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 1.9 t . . . . . 0 N--CA 1.489 1.482 0 N-CA-C 109.159 -0.682 . . . . 0.0 109.159 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 95.4 mt-10 -60.08 -31.2 69.79 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.206 -0.934 . . . . 0.0 109.144 179.835 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 65.1 tp -60.0 -48.61 81.0 Favored 'General case' 0 N--CA 1.488 1.455 0 O-C-N 121.205 -0.934 . . . . 0.0 109.074 -179.674 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 85.6 tt0 -60.12 -40.42 89.67 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.153 -0.967 . . . . 0.0 109.091 179.664 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 17.2 mtpp -67.07 -36.25 81.6 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.556 -0.715 . . . . 0.0 109.725 -179.935 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -59.97 -43.33 95.14 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.386 -0.821 . . . . 0.0 109.981 -178.745 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 57.1 mtt -60.06 -42.95 95.62 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 120.827 -1.171 . . . . 0.0 108.962 179.503 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 53.9 t -69.95 -40.09 78.26 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.45 0 O-C-N 121.353 -0.842 . . . . 0.0 109.131 179.335 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.01 -43.78 94.99 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.475 -0.766 . . . . 0.0 110.631 -179.301 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 1.2 mt -60.02 -49.73 76.5 Favored 'General case' 0 N--CA 1.494 1.746 0 O-C-N 121.053 -1.029 . . . . 0.0 109.46 -179.52 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . 0.421 HG22 HD11 ' A' ' 11' ' ' ILE . 96.7 mt -60.58 -45.63 96.9 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.486 0 O-C-N 121.131 -0.981 . . . . 0.0 109.958 -179.907 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 95.9 m-20 -61.28 -41.38 96.85 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.363 -0.836 . . . . 0.0 110.709 -178.538 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 53.8 t -70.02 -46.21 73.82 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.736 0 O-C-N 120.871 -1.143 . . . . 0.0 110.128 -179.115 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . 0.505 ' CE1' ' OG ' ' A' ' 18' ' ' SER . 65.3 t80 -60.03 -41.24 91.79 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.144 -0.972 . . . . 0.0 110.173 -179.481 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 52.4 t-80 -60.75 -46.35 90.79 Favored 'General case' 0 C--N 1.3 -1.552 0 O-C-N 121.353 -0.842 . . . . 0.0 110.956 -179.278 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 74.1 mt-30 -60.93 -50.76 72.1 Favored 'General case' 0 N--CA 1.495 1.818 0 O-C-N 120.987 -1.071 . . . . 0.0 111.143 -178.639 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 63.8 m-85 -71.0 -37.59 72.68 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 121.006 -1.059 . . . . 0.0 110.309 -179.721 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' SER . . . . . 0.505 ' OG ' ' CE1' ' A' ' 14' ' ' PHE . 72.0 m -60.08 -41.19 91.93 Favored 'General case' 0 C--N 1.299 -1.6 0 O-C-N 121.122 -0.986 . . . . 0.0 110.142 -178.962 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -75.47 19.73 2.37 Favored Glycine 0 N--CA 1.493 2.474 0 C-N-CA 120.085 -1.055 . . . . 0.0 110.602 -179.386 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . 0.43 ' NH1' ' OE1' ' A' ' 34' ' ' GLU . 66.9 ttt180 -59.99 -44.96 94.17 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.11 -1.23 . . . . 0.0 110.412 -179.676 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . 0.433 ' O ' ' C ' ' A' ' 22' ' ' GLY . 82.0 tt0 -164.97 114.4 1.09 Allowed 'General case' 0 N--CA 1.493 1.71 0 O-C-N 120.682 -1.261 . . . . 0.0 111.241 -179.551 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . 0.433 ' C ' ' O ' ' A' ' 21' ' ' GLU . . . 32.64 41.54 0.11 Allowed Glycine 0 N--CA 1.502 3.066 0 N-CA-C 111.872 -0.491 . . . . 0.0 111.872 178.291 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . 0.493 ' O ' ' O ' ' A' ' 18' ' ' SER . 34.0 m-20 -144.45 84.16 1.74 Allowed 'General case' 0 N--CA 1.5 2.05 0 O-C-N 121.004 -1.291 . . . . 0.0 109.498 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 2.9 mmmm -92.54 -41.53 10.19 Favored 'General case' 0 N--CA 1.497 1.899 0 O-C-N 120.798 -1.189 . . . . 0.0 110.708 -179.068 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 8.8 p80 -111.94 17.07 20.03 Favored 'General case' 0 N--CA 1.503 2.206 0 O-C-N 121.229 -0.919 . . . . 0.0 111.162 -178.26 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 63.0 mttm -140.51 144.94 36.26 Favored 'General case' 0 N--CA 1.498 1.93 0 O-C-N 121.025 -1.047 . . . . 0.0 109.006 178.546 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 2.3 tp -124.89 129.37 50.26 Favored 'General case' 0 N--CA 1.498 1.936 0 N-CA-C 108.272 -1.01 . . . . 0.0 108.272 -179.936 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 46.4 pttt -110.52 -177.22 3.18 Favored 'General case' 0 N--CA 1.5 2.038 0 CA-C-O 121.82 0.819 . . . . 0.0 111.131 -178.476 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 34.0 mtmt -60.01 -40.04 87.89 Favored 'General case' 0 N--CA 1.496 1.846 0 N-CA-C 112.707 0.632 . . . . 0.0 112.707 -178.115 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 73.1 m -60.06 -42.16 93.89 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 120.7 -1.25 . . . . 0.0 110.525 -177.693 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 -72.58 -39.81 67.09 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.127 -0.983 . . . . 0.0 110.745 179.738 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 53.4 tp -59.97 -41.07 91.17 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.2 -0.938 . . . . 0.0 109.164 -179.134 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 78.8 tttt -61.91 -40.73 96.46 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.678 -0.639 . . . . 0.0 110.958 -179.803 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . 0.43 ' OE1' ' NH1' ' A' ' 20' ' ' ARG . 81.5 tt0 -66.11 -39.98 90.36 Favored 'General case' 0 N--CA 1.495 1.787 0 O-C-N 120.884 -1.135 . . . . 0.0 111.233 -178.544 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 16.0 mt -66.72 -39.97 88.22 Favored 'General case' 0 N--CA 1.495 1.822 0 O-C-N 120.909 -1.12 . . . . 0.0 110.839 -179.154 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 89.1 mt -66.27 -39.88 85.39 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.643 0 O-C-N 120.912 -1.118 . . . . 0.0 110.755 -178.764 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 10.0 t-20 -79.05 -19.57 51.03 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.099 -1.001 . . . . 0.0 110.7 -179.351 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 48.5 t-20 -65.94 -59.85 3.42 Favored 'General case' 0 N--CA 1.494 1.745 0 O-C-N 120.994 -1.066 . . . . 0.0 111.538 -178.186 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 1.5 pm0 -149.54 22.57 0.91 Allowed 'General case' 0 N--CA 1.502 2.166 0 O-C-N 120.514 -1.366 . . . . 0.0 111.327 -179.323 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 5.1 mt -127.74 16.26 6.93 Favored 'General case' 0 N--CA 1.505 2.287 0 O-C-N 121.097 -1.002 . . . . 0.0 109.732 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 84.1 p -69.97 -36.15 75.0 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.041 -1.037 . . . . 0.0 110.109 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 16.8 m170 -61.36 -40.06 92.93 Favored 'General case' 0 N--CA 1.495 1.79 0 O-C-N 121.05 -1.031 . . . . 0.0 111.189 -178.885 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 41.8 m-85 -61.62 -47.12 86.87 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 120.847 -1.158 . . . . 0.0 110.426 -178.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.429 ' C ' ' H ' ' A' ' 46' ' ' GLU . 92.8 mt -93.86 -71.85 0.64 Allowed 'General case' 0 N--CA 1.495 1.819 0 O-C-N 121.043 -1.036 . . . . 0.0 109.817 -179.743 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 1.4 tm-20 63.74 3.78 1.67 Allowed 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.243 -0.911 . . . . 0.0 109.127 -179.668 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . 0.429 ' H ' ' C ' ' A' ' 44' ' ' LEU . 2.6 tm-20 -94.25 -1.45 53.98 Favored 'General case' 0 N--CA 1.495 1.823 0 O-C-N 121.303 -0.873 . . . . 0.0 109.046 179.865 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 7.7 mm -79.4 129.61 37.32 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.536 0 O-C-N 121.07 -1.019 . . . . 0.0 109.702 -179.544 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 4.7 tmtm? -153.56 -39.57 0.1 Allowed 'General case' 0 N--CA 1.49 1.566 0 N-CA-C 108.543 -0.91 . . . . 0.0 108.543 179.737 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -108.16 144.86 35.01 Favored 'General case' 0 N--CA 1.497 1.922 0 O-C-N 121.477 -0.764 . . . . 0.0 110.02 -179.645 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 96.1 mm-40 -67.96 -28.91 67.86 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 121.397 -0.814 . . . . 0.0 110.091 -179.794 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 41.0 tt0 -60.01 -39.98 87.66 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.169 -0.957 . . . . 0.0 109.72 -179.194 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 53.7 t -59.95 -41.47 86.14 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.652 0 O-C-N 121.242 -0.911 . . . . 0.0 110.118 -179.085 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 53.1 t -60.91 -40.84 86.66 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.722 0 O-C-N 120.852 -1.155 . . . . 0.0 109.542 -179.754 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 79.2 m-20 -62.28 -41.6 98.62 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.318 -0.864 . . . . 0.0 110.27 -179.176 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 76.9 tttt -63.42 -40.08 96.23 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.417 -0.802 . . . . 0.0 110.47 -179.302 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 69.5 t -61.65 -40.76 87.82 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.606 0 O-C-N 121.201 -0.937 . . . . 0.0 110.245 -179.157 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' MET . . . . . 0.464 ' SD ' ' SG ' ' A' ' 68' ' ' CYS . 90.2 mmm -63.2 -40.09 96.49 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.278 -0.889 . . . . 0.0 110.897 -178.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 4.5 tm-20 -67.37 -39.96 85.72 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.102 -0.998 . . . . 0.0 110.437 -178.877 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 96.1 m -68.35 -39.95 81.68 Favored 'General case' 0 N--CA 1.495 1.81 0 O-C-N 121.172 -0.955 . . . . 0.0 110.956 -179.504 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 15.8 tp -67.53 -20.22 65.39 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.183 -0.948 . . . . 0.0 109.542 -178.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . 0.433 ' CG ' ' H ' ' A' ' 66' ' ' GLY . 36.7 t70 -73.99 81.58 1.7 Allowed 'General case' 0 N--CA 1.494 1.732 0 O-C-N 121.165 -0.959 . . . . 0.0 111.39 -178.801 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 85.5 mt-10 -87.69 -23.03 24.31 Favored 'General case' 0 N--CA 1.496 1.861 0 O-C-N 121.167 -0.958 . . . . 0.0 109.056 178.272 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . 0.457 ' N ' ' OD1' ' A' ' 63' ' ' ASP . 28.6 p-10 -82.32 -2.84 54.02 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.214 -0.929 . . . . 0.0 110.122 -179.323 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 69.65 31.13 70.51 Favored Glycine 0 N--CA 1.493 2.496 0 N-CA-C 110.196 -1.162 . . . . 0.0 110.196 179.071 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 9.7 t70 -94.44 -36.72 11.77 Favored 'General case' 0 N--CA 1.495 1.803 0 O-C-N 121.125 -1.22 . . . . 0.0 110.18 -179.506 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . 0.433 ' H ' ' CG ' ' A' ' 61' ' ' ASP . . . 90.27 -2.74 81.57 Favored Glycine 0 N--CA 1.499 2.888 0 O-C-N 120.972 -1.08 . . . . 0.0 110.916 179.298 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 61.9 mm-40 -134.1 157.72 45.45 Favored 'General case' 0 N--CA 1.5 2.066 0 O-C-N 121.086 -1.244 . . . . 0.0 108.413 179.489 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' CYS . . . . . 0.464 ' SG ' ' SD ' ' A' ' 57' ' ' MET . 55.8 m -92.06 107.38 19.17 Favored 'General case' 0 N--CA 1.496 1.833 0 O-C-N 120.911 -1.118 . . . . 0.0 109.821 -179.53 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 95.2 m-20 -89.32 168.34 12.33 Favored 'General case' 0 N--CA 1.495 1.823 0 O-C-N 121.036 -1.04 . . . . 0.0 109.382 179.657 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 70.3 t80 -59.96 -40.0 87.53 Favored 'General case' 0 C--N 1.301 -1.506 0 O-C-N 121.412 -0.805 . . . . 0.0 109.505 -179.793 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 51.9 tt0 -60.02 -49.69 76.69 Favored 'General case' 0 N--CA 1.494 1.751 0 O-C-N 121.247 -0.908 . . . . 0.0 110.87 -178.906 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -69.98 -26.81 64.26 Favored 'General case' 0 N--CA 1.498 1.946 0 O-C-N 120.811 -1.181 . . . . 0.0 109.026 -179.823 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 47.1 t80 -60.04 -46.9 88.01 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.376 -0.827 . . . . 0.0 109.703 -179.006 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 97.1 mmm -59.99 -39.19 84.9 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.177 -0.952 . . . . 0.0 108.918 179.759 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -59.66 -36.31 76.16 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.416 -0.802 . . . . 0.0 109.685 -179.686 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 84.0 t80 -60.07 -41.63 92.8 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 120.941 -1.1 . . . . 0.0 109.329 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 54.2 t -60.0 -40.98 84.66 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.545 0 O-C-N 121.055 -1.028 . . . . 0.0 108.693 179.29 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 37.5 t -63.63 -46.16 86.94 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.401 -0.812 . . . . 0.0 110.009 -179.902 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 95.7 mtp -60.23 -40.28 89.67 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.118 -0.989 . . . . 0.0 109.756 -179.504 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . 0.44 ' O ' ' SG ' ' A' ' 84' ' ' CYS . 54.7 t -69.25 -39.99 79.8 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.472 0 O-C-N 121.258 -0.901 . . . . 0.0 109.173 179.852 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 15.8 m -65.12 -43.94 90.35 Favored 'General case' 0 C--N 1.303 -1.44 0 O-C-N 121.312 -0.867 . . . . 0.0 109.587 -179.562 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 63.4 p -70.48 -39.98 73.9 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.199 -0.938 . . . . 0.0 109.992 -179.932 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -59.98 -47.66 84.9 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.134 -0.979 . . . . 0.0 109.501 -179.709 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 84' ' ' CYS . . . . . 0.444 ' O ' ' SG ' ' A' ' 84' ' ' CYS . 26.3 p -80.79 110.88 16.72 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.272 -0.893 . . . . 0.0 109.439 179.924 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 85' ' ' HIS . . . . . 0.441 ' ND1' ' N ' ' A' ' 85' ' ' HIS . 11.7 p-80 -121.52 28.43 7.72 Favored 'General case' 0 N--CA 1.498 1.928 0 O-C-N 121.645 -0.66 . . . . 0.0 109.364 -179.942 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . 0.572 ' O ' ' CD1' ' A' ' 87' ' ' PHE . 86.2 tt0 -70.01 -26.12 63.91 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.36 -0.838 . . . . 0.0 109.962 -179.8 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 87' ' ' PHE . . . . . 0.602 ' CD2' ' O ' ' A' ' 87' ' ' PHE . 28.2 p90 45.26 104.73 0.0 OUTLIER 'General case' 0 N--CA 1.499 2.007 0 CA-C-O 121.979 0.895 . . . . 0.0 110.286 -178.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 96.0 m-85 . . . . . 0 N--CA 1.491 1.622 0 O-C-N 120.785 -1.197 . . . . 0.0 108.725 179.908 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 1.5 t . . . . . 0 N--CA 1.489 1.488 0 N-CA-C 109.278 -0.638 . . . . 0.0 109.278 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 95.3 mt-10 -59.95 -31.36 69.8 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.332 -0.855 . . . . 0.0 109.086 179.622 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 67.4 tp -59.91 -48.68 80.71 Favored 'General case' 0 N--CA 1.488 1.445 0 O-C-N 121.386 -0.821 . . . . 0.0 109.108 -179.657 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 85.4 tt0 -60.05 -40.24 88.74 Favored 'General case' 0 C--N 1.302 -1.457 0 O-C-N 121.168 -0.958 . . . . 0.0 109.2 179.514 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 16.8 mtpp -67.28 -36.16 80.98 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.483 -0.76 . . . . 0.0 109.721 -179.936 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -60.0 -43.42 95.2 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.286 -0.884 . . . . 0.0 109.982 -178.813 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 7' ' ' MET . . . . . . . . . . . . . 57.8 mtt -59.97 -43.03 95.33 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 120.822 -1.174 . . . . 0.0 108.897 179.56 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 54.2 t -69.98 -40.05 78.16 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.46 0 O-C-N 121.306 -0.871 . . . . 0.0 109.06 179.457 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.06 -43.87 95.12 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.494 -0.754 . . . . 0.0 110.693 -179.212 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 1.5 mt -60.07 -49.72 76.56 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.0 -1.063 . . . . 0.0 109.505 -179.606 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 11' ' ' ILE . . . . . 0.419 HD11 HG22 ' B' ' 11' ' ' ILE . 96.9 mt -60.45 -45.8 96.25 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.509 0 O-C-N 121.098 -1.001 . . . . 0.0 109.866 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 95.9 m-20 -61.33 -41.13 96.51 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.297 -0.877 . . . . 0.0 110.751 -178.568 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 54.1 t -70.04 -46.44 72.92 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.733 0 O-C-N 120.995 -1.065 . . . . 0.0 110.16 -179.209 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 14' ' ' PHE . . . . . 0.499 ' CE1' ' OG ' ' B' ' 18' ' ' SER . 64.7 t80 -59.98 -41.07 91.21 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.256 -0.902 . . . . 0.0 110.165 -179.619 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 52.5 t-80 -60.75 -46.81 89.01 Favored 'General case' 0 C--N 1.301 -1.533 0 O-C-N 121.309 -0.869 . . . . 0.0 110.838 -179.227 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 74.3 mt-30 -60.32 -51.11 70.94 Favored 'General case' 0 N--CA 1.494 1.74 0 O-C-N 120.867 -1.146 . . . . 0.0 111.257 -178.724 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 65.0 m-85 -70.81 -37.57 73.26 Favored 'General case' 0 N--CA 1.494 1.743 0 O-C-N 120.942 -1.099 . . . . 0.0 110.432 -179.797 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 18' ' ' SER . . . . . 0.499 ' OG ' ' CE1' ' B' ' 14' ' ' PHE . 75.0 m -60.03 -41.43 92.22 Favored 'General case' 0 C--N 1.301 -1.508 0 O-C-N 121.153 -0.967 . . . . 0.0 110.082 -178.772 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -75.23 19.55 2.27 Favored Glycine 0 N--CA 1.494 2.526 0 O-C-N 120.997 -1.064 . . . . 0.0 110.647 -179.404 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 20' ' ' ARG . . . . . 0.444 ' NH1' ' OE1' ' B' ' 34' ' ' GLU . 66.7 ttt180 -59.96 -45.2 93.45 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.074 -1.25 . . . . 0.0 110.268 -179.723 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 21' ' ' GLU . . . . . 0.427 ' O ' ' C ' ' B' ' 22' ' ' GLY . 80.6 tt0 -164.58 114.44 1.17 Allowed 'General case' 0 N--CA 1.494 1.761 0 O-C-N 120.631 -1.293 . . . . 0.0 111.379 -179.628 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 22' ' ' GLY . . . . . 0.427 ' C ' ' O ' ' B' ' 21' ' ' GLU . . . 32.85 40.98 0.1 OUTLIER Glycine 0 N--CA 1.501 3.016 0 N-CA-C 111.886 -0.485 . . . . 0.0 111.886 178.247 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 23' ' ' ASP . . . . . 0.497 ' O ' ' O ' ' B' ' 18' ' ' SER . 35.4 m-20 -144.07 85.38 1.8 Allowed 'General case' 0 N--CA 1.499 1.993 0 O-C-N 120.892 -1.357 . . . . 0.0 109.265 179.875 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 4.2 mmmm -93.15 -41.58 9.85 Favored 'General case' 0 N--CA 1.495 1.801 0 O-C-N 120.864 -1.147 . . . . 0.0 110.462 -179.02 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 25' ' ' HIS . . . . . . . . . . . . . 9.1 p80 -111.69 16.34 20.6 Favored 'General case' 0 N--CA 1.502 2.148 0 O-C-N 121.342 -0.849 . . . . 0.0 111.399 -178.062 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 61.1 mttm -139.98 144.89 37.23 Favored 'General case' 0 N--CA 1.498 1.951 0 O-C-N 121.164 -0.96 . . . . 0.0 109.038 178.521 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 2.0 tp -124.51 129.62 50.95 Favored 'General case' 0 N--CA 1.498 1.963 0 N-CA-C 108.216 -1.031 . . . . 0.0 108.216 179.898 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 43.8 pttt -110.4 -177.37 3.22 Favored 'General case' 0 N--CA 1.501 2.124 0 CA-C-O 121.97 0.891 . . . . 0.0 111.065 -178.747 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 37.3 mtmt -59.95 -40.07 87.73 Favored 'General case' 0 N--CA 1.496 1.873 0 N-CA-C 112.695 0.628 . . . . 0.0 112.695 -178.173 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 70.3 m -60.02 -41.53 92.4 Favored 'General case' 0 N--CA 1.496 1.83 0 O-C-N 120.662 -1.274 . . . . 0.0 110.558 -177.686 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 40.9 mt-10 -72.93 -39.99 65.81 Favored 'General case' 0 C--N 1.299 -1.611 0 O-C-N 121.094 -1.003 . . . . 0.0 110.68 179.925 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 54.2 tp -60.06 -40.74 90.5 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.264 -0.897 . . . . 0.0 109.211 -179.279 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 77.7 tttt -62.14 -40.96 97.7 Favored 'General case' 0 C--N 1.298 -1.654 0 O-C-N 121.569 -0.707 . . . . 0.0 110.844 -179.61 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 34' ' ' GLU . . . . . 0.444 ' OE1' ' NH1' ' B' ' 20' ' ' ARG . 80.9 tt0 -65.85 -40.01 91.3 Favored 'General case' 0 N--CA 1.496 1.863 0 O-C-N 121.089 -1.007 . . . . 0.0 111.285 -178.474 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 16.7 mt -66.73 -40.01 88.21 Favored 'General case' 0 N--CA 1.496 1.868 0 O-C-N 120.899 -1.126 . . . . 0.0 110.749 -179.126 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 91.7 mt -66.14 -39.94 85.73 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.679 0 O-C-N 120.885 -1.134 . . . . 0.0 110.757 -178.762 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 9.9 t-20 -79.07 -19.6 50.91 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.037 -1.039 . . . . 0.0 110.695 -179.284 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 48.3 t-20 -65.91 -60.01 3.28 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 120.983 -1.073 . . . . 0.0 111.56 -178.207 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 1.5 pm0 -149.26 22.65 0.94 Allowed 'General case' 0 N--CA 1.502 2.15 0 O-C-N 120.51 -1.369 . . . . 0.0 111.297 -179.416 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 5.1 mt -127.77 16.3 6.91 Favored 'General case' 0 N--CA 1.506 2.343 0 O-C-N 121.032 -1.042 . . . . 0.0 109.676 -179.929 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 80.5 p -70.03 -36.13 74.82 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 120.961 -1.087 . . . . 0.0 110.175 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 42' ' ' HIS . . . . . . . . . . . . . 16.8 m170 -61.27 -40.2 93.23 Favored 'General case' 0 N--CA 1.497 1.882 0 O-C-N 121.113 -0.992 . . . . 0.0 111.144 -178.899 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 42.1 m-85 -61.64 -47.18 86.54 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 120.832 -1.168 . . . . 0.0 110.416 -178.887 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 44' ' ' LEU . . . . . 0.405 ' C ' ' H ' ' B' ' 46' ' ' GLU . 90.1 mt -93.66 -72.02 0.63 Allowed 'General case' 0 N--CA 1.495 1.819 0 O-C-N 121.005 -1.059 . . . . 0.0 109.803 -179.887 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 1.4 tm-20 63.93 3.83 1.78 Allowed 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.278 -0.889 . . . . 0.0 109.12 -179.653 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 46' ' ' GLU . . . . . 0.405 ' H ' ' C ' ' B' ' 44' ' ' LEU . 2.6 tm-20 -94.38 -1.37 53.84 Favored 'General case' 0 N--CA 1.496 1.835 0 O-C-N 121.349 -0.845 . . . . 0.0 109.07 179.907 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 7.1 mm -79.49 129.6 37.32 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.572 0 O-C-N 121.14 -0.975 . . . . 0.0 109.686 -179.507 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 4.5 tmtm? -153.57 -39.41 0.1 Allowed 'General case' 0 N--CA 1.49 1.551 0 N-CA-C 108.64 -0.874 . . . . 0.0 108.64 179.686 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -108.28 144.91 35.13 Favored 'General case' 0 N--CA 1.499 1.987 0 O-C-N 121.499 -0.75 . . . . 0.0 109.961 -179.735 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 96.6 mm-40 -67.99 -28.93 67.85 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.438 -0.789 . . . . 0.0 109.92 -179.73 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 41.3 tt0 -59.97 -39.98 87.53 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.19 -0.944 . . . . 0.0 109.756 -179.202 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 54.3 t -59.89 -41.61 86.46 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.613 0 O-C-N 121.234 -0.916 . . . . 0.0 110.178 -179.072 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 53.8 t -60.8 -40.88 86.52 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.728 0 O-C-N 120.901 -1.124 . . . . 0.0 109.589 -179.686 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 80.0 m-20 -62.24 -41.33 98.33 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.248 -0.908 . . . . 0.0 110.3 -179.159 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 74.4 tttt -63.66 -40.07 95.91 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.398 -0.814 . . . . 0.0 110.311 -179.24 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 76.6 t -61.64 -41.06 88.88 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.524 0 O-C-N 121.216 -0.928 . . . . 0.0 110.212 -179.042 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 57' ' ' MET . . . . . 0.481 ' SD ' ' SG ' ' B' ' 68' ' ' CYS . 88.1 mmm -62.89 -40.01 96.22 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.277 -0.889 . . . . 0.0 110.972 -179.063 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 4.5 tm-20 -67.64 -39.99 84.62 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.146 -0.971 . . . . 0.0 110.413 -178.747 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 98.9 m -68.06 -40.01 82.86 Favored 'General case' 0 N--CA 1.495 1.811 0 O-C-N 121.137 -0.977 . . . . 0.0 110.943 -179.733 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 15.3 tp -67.89 -19.78 65.04 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.184 -0.948 . . . . 0.0 109.572 -178.838 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 61' ' ' ASP . . . . . 0.413 ' CG ' ' H ' ' B' ' 66' ' ' GLY . 36.4 t70 -74.29 81.61 1.86 Allowed 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.217 -0.927 . . . . 0.0 111.341 -178.853 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 86.8 mt-10 -87.81 -23.2 24.11 Favored 'General case' 0 N--CA 1.497 1.891 0 O-C-N 121.111 -0.993 . . . . 0.0 109.002 178.323 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 63' ' ' ASP . . . . . 0.443 ' N ' ' OD1' ' B' ' 63' ' ' ASP . 29.1 p-10 -82.08 -2.24 51.22 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.278 -0.889 . . . . 0.0 110.187 -179.526 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 68.68 31.83 73.77 Favored Glycine 0 N--CA 1.494 2.559 0 C-N-CA 119.943 -1.123 . . . . 0.0 110.32 179.205 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 9.6 t70 -94.78 -36.68 11.59 Favored 'General case' 0 N--CA 1.497 1.876 0 O-C-N 121.151 -1.205 . . . . 0.0 110.04 -179.583 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 66' ' ' GLY . . . . . 0.413 ' H ' ' CG ' ' B' ' 61' ' ' ASP . . . 90.24 -2.27 80.96 Favored Glycine 0 N--CA 1.499 2.882 0 O-C-N 120.989 -1.07 . . . . 0.0 110.81 179.244 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 60.8 mm-40 -134.58 157.64 46.06 Favored 'General case' 0 N--CA 1.501 2.075 0 O-C-N 121.235 -1.156 . . . . 0.0 108.317 179.438 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 68' ' ' CYS . . . . . 0.481 ' SG ' ' SD ' ' B' ' 57' ' ' MET . 59.3 m -92.19 107.9 19.55 Favored 'General case' 0 N--CA 1.495 1.801 0 O-C-N 120.889 -1.132 . . . . 0.0 109.705 -179.487 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 94.5 m-20 -89.67 168.32 12.21 Favored 'General case' 0 N--CA 1.494 1.772 0 O-C-N 121.025 -1.047 . . . . 0.0 109.241 179.695 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 69.1 t80 -60.0 -39.92 87.44 Favored 'General case' 0 C--N 1.3 -1.547 0 O-C-N 121.363 -0.836 . . . . 0.0 109.6 -179.912 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 51.5 tt0 -60.04 -49.66 76.78 Favored 'General case' 0 N--CA 1.494 1.754 0 O-C-N 121.271 -0.893 . . . . 0.0 110.807 -178.855 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -70.05 -26.88 64.23 Favored 'General case' 0 N--CA 1.499 1.987 0 O-C-N 120.833 -1.167 . . . . 0.0 108.87 -179.787 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 73' ' ' PHE . . . . . . . . . . . . . 47.8 t80 -59.98 -46.75 88.43 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.474 -0.766 . . . . 0.0 109.84 -178.871 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 74' ' ' MET . . . . . . . . . . . . . 96.8 mmm -60.01 -39.28 85.25 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.113 -0.992 . . . . 0.0 109.03 179.619 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -59.78 -36.1 76.01 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.321 -0.862 . . . . 0.0 109.672 -179.642 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 84.8 t80 -59.97 -41.78 92.71 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 120.932 -1.105 . . . . 0.0 109.217 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 77' ' ' VAL . . . . . . . . . . . . . 54.6 t -60.04 -40.97 84.7 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.418 0 O-C-N 121.036 -1.04 . . . . 0.0 108.674 179.225 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 78' ' ' SER . . . . . . . . . . . . . 36.9 t -63.61 -46.01 87.71 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.38 -0.825 . . . . 0.0 110.043 -179.853 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 79' ' ' MET . . . . . . . . . . . . . 95.9 mtp -60.29 -40.1 89.28 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.018 -1.051 . . . . 0.0 109.814 -179.585 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 80' ' ' VAL . . . . . 0.413 ' O ' ' SG ' ' B' ' 84' ' ' CYS . 54.5 t -69.46 -40.1 79.43 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.547 0 O-C-N 121.231 -0.918 . . . . 0.0 109.265 179.764 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 15.5 m -64.86 -44.12 90.77 Favored 'General case' 0 C--N 1.302 -1.475 0 O-C-N 121.341 -0.849 . . . . 0.0 109.608 -179.662 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 62.7 p -70.36 -39.98 74.29 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.076 -1.015 . . . . 0.0 110.051 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -60.04 -47.52 85.5 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.17 -0.956 . . . . 0.0 109.534 -179.701 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 84' ' ' CYS . . . . . 0.432 ' O ' ' SG ' ' B' ' 84' ' ' CYS . 26.4 p -80.78 110.87 16.7 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.293 -0.879 . . . . 0.0 109.457 179.835 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 85' ' ' HIS . . . . . 0.441 ' N ' ' ND1' ' B' ' 85' ' ' HIS . 11.7 p-80 -121.5 28.35 7.77 Favored 'General case' 0 N--CA 1.499 1.977 0 O-C-N 121.634 -0.666 . . . . 0.0 109.354 -179.865 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 86' ' ' GLU . . . . . 0.572 ' O ' ' CD1' ' B' ' 87' ' ' PHE . 86.4 tt0 -70.05 -26.24 63.93 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.418 -0.801 . . . . 0.0 109.949 -179.777 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 87' ' ' PHE . . . . . 0.589 ' O ' ' CD2' ' B' ' 87' ' ' PHE . 28.4 p90 45.36 104.59 0.0 OUTLIER 'General case' 0 N--CA 1.499 1.98 0 CA-C-O 122.014 0.912 . . . . 0.0 110.325 -178.95 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 96.0 m-85 . . . . . 0 N--CA 1.491 1.589 0 O-C-N 120.796 -1.19 . . . . 0.0 108.711 179.854 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 33.0 p . . . . . 0 N--CA 1.489 1.484 0 CA-C-O 121.349 0.595 . . . . 0.0 109.977 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 48.1 mt-10 -60.01 -27.8 67.19 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.273 -0.892 . . . . 0.0 110.628 -179.359 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . 0.509 ' O ' ' SD ' ' A' ' 7' ' ' MET . 1.1 mp -54.29 -50.84 66.36 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 120.779 -1.2 . . . . 0.0 108.957 -179.589 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 61.6 mm-40 -60.32 -41.08 92.75 Favored 'General case' 0 N--CA 1.494 1.767 0 O-C-N 121.041 -1.037 . . . . 0.0 110.202 179.901 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 28.5 tptt -60.21 -40.03 88.68 Favored 'General case' 0 N--CA 1.488 1.463 0 O-C-N 121.231 -0.918 . . . . 0.0 109.39 -179.109 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -62.45 -50.1 72.8 Favored 'General case' 0 N--CA 1.495 1.79 0 O-C-N 121.293 -0.879 . . . . 0.0 110.869 -179.567 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' MET . . . . . 0.509 ' SD ' ' O ' ' A' ' 3' ' ' LEU . 3.6 mpp? -60.42 -40.24 90.34 Favored 'General case' 0 N--CA 1.495 1.806 0 O-C-N 120.74 -1.225 . . . . 0.0 109.828 -179.427 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 54.6 t -60.64 -40.14 83.72 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.487 0 O-C-N 121.223 -0.923 . . . . 0.0 109.739 -179.406 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -66.62 -40.16 88.66 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.139 -0.976 . . . . 0.0 110.304 -179.345 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 39.2 mt -65.22 -41.35 94.52 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.065 -1.022 . . . . 0.0 110.512 -179.445 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 96.9 mt -69.63 -47.27 72.22 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.661 0 O-C-N 121.004 -1.06 . . . . 0.0 110.222 -179.539 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 9.3 t0 -61.62 -40.24 94.15 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.177 -0.952 . . . . 0.0 110.612 -179.23 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 78.1 t -66.9 -41.11 87.15 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.683 0 O-C-N 121.039 -1.038 . . . . 0.0 110.64 -178.893 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 60.0 t80 -59.87 -46.89 87.85 Favored 'General case' 0 N--CA 1.494 1.745 0 O-C-N 120.781 -1.199 . . . . 0.0 110.172 -179.001 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 85.3 t60 -59.97 -41.27 91.59 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.297 -0.877 . . . . 0.0 111.634 -179.127 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 96.0 mt-30 -61.25 -50.58 72.48 Favored 'General case' 0 N--CA 1.494 1.766 0 O-C-N 120.85 -1.156 . . . . 0.0 111.133 -177.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 55.9 m-85 -70.1 -38.92 75.76 Favored 'General case' 0 N--CA 1.495 1.792 0 O-C-N 121.036 -1.04 . . . . 0.0 110.539 -179.703 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 77.2 p -60.02 -42.09 93.58 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 120.929 -1.107 . . . . 0.0 109.527 -179.152 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -74.04 -41.55 39.69 Favored Glycine 0 N--CA 1.49 2.238 0 N-CA-C 109.969 -1.252 . . . . 0.0 109.969 -179.872 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 2.8 tpm_? -60.09 -43.89 95.19 Favored 'General case' 0 N--CA 1.494 1.751 0 O-C-N 121.154 -1.203 . . . . 0.0 109.953 -179.263 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . 0.455 ' CD ' ' N ' ' A' ' 22' ' ' GLY . 14.9 tm-20 -168.74 147.36 4.11 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.023 -1.048 . . . . 0.0 109.786 -179.501 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . 0.455 ' N ' ' CD ' ' A' ' 21' ' ' GLU . . . 99.93 69.91 0.91 Allowed Glycine 0 N--CA 1.496 2.641 0 N-CA-C 109.434 -1.466 . . . . 0.0 109.434 179.739 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . 0.487 ' OD2' ' NZ ' ' A' ' 28' ' ' LYS . 82.0 m-20 51.38 177.36 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.455 -1.026 . . . . 0.0 110.102 179.646 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 9.2 mtmp? -95.03 -32.25 13.22 Favored 'General case' 0 N--CA 1.495 1.788 0 O-C-N 121.304 -0.873 . . . . 0.0 110.503 -179.427 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' HIS . . . . . 0.466 ' ND1' ' N ' ' A' ' 25' ' ' HIS . 13.8 p-80 -134.37 20.97 3.68 Favored 'General case' 0 N--CA 1.499 1.984 0 O-C-N 121.225 -0.922 . . . . 0.0 110.703 -178.612 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 25.5 mtpp -134.26 151.49 51.31 Favored 'General case' 0 N--CA 1.501 2.108 0 O-C-N 121.194 -0.941 . . . . 0.0 109.063 179.794 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 11.8 tp -99.55 128.63 45.67 Favored 'General case' 0 N--CA 1.498 1.966 0 O-C-N 121.292 -0.88 . . . . 0.0 109.45 -179.287 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.487 ' NZ ' ' OD2' ' A' ' 23' ' ' ASP . 30.1 mmtm -106.6 173.58 6.26 Favored 'General case' 0 N--CA 1.497 1.89 0 O-C-N 121.563 -0.71 . . . . 0.0 109.737 179.906 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 65.0 mttm -60.0 -38.88 83.9 Favored 'General case' 0 N--CA 1.494 1.737 0 O-C-N 121.652 -0.655 . . . . 0.0 110.435 -179.156 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 67.9 m -60.1 -39.97 88.03 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.319 -0.863 . . . . 0.0 110.359 -177.827 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 -67.7 -40.01 84.35 Favored 'General case' 0 N--CA 1.488 1.428 0 O-C-N 120.858 -1.151 . . . . 0.0 109.466 -179.88 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 41.6 tp -61.9 -48.98 78.05 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.269 -0.894 . . . . 0.0 109.37 179.626 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 14.3 ttmm -59.96 -44.52 94.38 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.415 -0.803 . . . . 0.0 109.99 -179.095 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . 0.463 ' O ' ' ND2' ' A' ' 38' ' ' ASN . 67.9 mm-40 -69.67 -39.74 76.84 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.152 -0.968 . . . . 0.0 109.643 179.925 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 64.3 tp -60.02 -47.45 85.8 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.099 -1.001 . . . . 0.0 109.573 -178.809 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 91.6 mt -63.54 -39.99 87.37 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.759 0 O-C-N 120.947 -1.096 . . . . 0.0 109.637 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . 0.439 ' O ' ' O ' ' A' ' 38' ' ' ASN . 14.7 t-20 -65.31 -32.64 74.4 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.365 -0.834 . . . . 0.0 110.578 -179.505 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . 0.463 ' ND2' ' O ' ' A' ' 34' ' ' GLU . 4.1 m120 -41.34 -95.89 0.0 OUTLIER 'General case' 0 N--CA 1.498 1.957 0 O-C-N 121.39 -0.819 . . . . 0.0 111.012 -178.565 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . 0.407 ' OE1' ' CG ' ' B' ' 4' ' ' GLU . 44.8 tt0 -110.27 -25.91 9.88 Favored 'General case' 0 N--CA 1.501 2.107 0 O-C-N 121.242 -0.911 . . . . 0.0 110.136 -179.24 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 82.6 mt -62.33 121.54 13.43 Favored 'General case' 0 C--N 1.302 -1.466 0 O-C-N 120.842 -1.161 . . . . 0.0 109.183 -178.897 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' SER . . . . . 0.447 ' O ' ' O ' ' A' ' 44' ' ' LEU . 80.7 p -163.18 -44.87 0.03 OUTLIER 'General case' 0 N--CA 1.488 1.437 0 O-C-N 121.591 -0.693 . . . . 0.0 109.2 -179.85 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 55.7 t-80 -60.03 -45.48 92.68 Favored 'General case' 0 N--CA 1.488 1.436 0 O-C-N 121.002 -1.061 . . . . 0.0 109.289 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 42.9 m-85 -64.68 -43.64 92.91 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.403 -0.811 . . . . 0.0 109.966 -179.831 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.447 ' O ' ' O ' ' A' ' 41' ' ' SER . 28.2 mt -131.93 141.97 49.5 Favored 'General case' 0 N--CA 1.5 2.029 0 O-C-N 121.499 -0.751 . . . . 0.0 109.042 -179.819 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -59.95 161.08 6.99 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.181 -0.95 . . . . 0.0 109.06 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -63.28 167.47 5.2 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.178 -0.951 . . . . 0.0 109.297 -179.901 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 44.1 mm -77.78 112.04 15.29 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.499 0 O-C-N 121.179 -0.951 . . . . 0.0 110.177 -178.64 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 21.3 ttpp -91.2 -76.25 0.45 Allowed 'General case' 0 N--CA 1.492 1.67 0 N-CA-C 108.921 -0.77 . . . . 0.0 108.921 179.488 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 42.5 mt-10 -101.53 148.53 25.09 Favored 'General case' 0 N--CA 1.499 2.001 0 O-C-N 121.299 -0.876 . . . . 0.0 109.667 179.691 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 37.4 tt0 -60.18 -27.85 67.47 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.356 -0.84 . . . . 0.0 109.305 179.79 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 66.0 mm-40 -54.53 -40.07 68.26 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.393 -0.817 . . . . 0.0 109.462 -179.137 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 53.0 t -59.99 -45.56 95.21 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.408 0 O-C-N 121.156 -0.965 . . . . 0.0 108.906 -179.928 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 76.3 t -61.65 -45.13 99.31 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.548 0 O-C-N 121.446 -0.784 . . . . 0.0 109.366 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 96.2 m-20 -60.61 -40.04 90.42 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.1 -1.0 . . . . 0.0 110.002 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 35.7 ttpt -65.57 -40.04 92.33 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.161 -0.962 . . . . 0.0 109.907 -179.566 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 62.0 t -67.39 -48.37 77.78 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.634 0 O-C-N 121.233 -0.917 . . . . 0.0 109.822 -179.3 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 99.7 mtp -68.68 -39.97 80.31 Favored 'General case' 0 N--CA 1.494 1.741 0 O-C-N 121.267 -0.896 . . . . 0.0 110.361 -179.135 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 54.5 tp10 -64.58 -39.95 94.66 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.345 -0.847 . . . . 0.0 110.89 -178.814 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 92.5 m -68.51 -49.98 55.6 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 120.984 -1.073 . . . . 0.0 111.08 -178.418 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 27.4 tp -78.86 -59.17 2.89 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.121 -0.987 . . . . 0.0 110.839 -178.325 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . 0.437 ' OD1' ' N ' ' A' ' 64' ' ' GLY . 16.0 t0 -81.47 89.66 6.17 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 121.217 -0.927 . . . . 0.0 110.677 -177.451 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 43.0 tt0 -69.75 -40.05 76.38 Favored 'General case' 0 C--N 1.302 -1.459 0 O-C-N 121.346 -0.847 . . . . 0.0 109.02 179.091 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 28.2 p-10 -98.39 16.46 21.58 Favored 'General case' 0 N--CA 1.494 1.764 0 O-C-N 121.337 -0.852 . . . . 0.0 109.96 -179.273 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . 0.446 ' O ' ' OD1' ' A' ' 65' ' ' ASP . . . -48.08 -27.94 5.55 Favored Glycine 0 N--CA 1.493 2.464 0 N-CA-C 110.01 -1.236 . . . . 0.0 110.01 -179.265 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . 0.446 ' OD1' ' O ' ' A' ' 64' ' ' GLY . 2.3 p-10 45.5 26.92 0.34 Allowed 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.352 -1.087 . . . . 0.0 109.971 179.773 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 83.05 -1.31 88.91 Favored Glycine 0 N--CA 1.492 2.425 0 N-CA-C 110.227 -1.149 . . . . 0.0 110.227 179.429 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . 0.406 ' OE2' ' C ' ' A' ' 68' ' ' CYS . 4.0 tm-20 -140.06 137.37 34.5 Favored 'General case' 0 N--CA 1.497 1.909 0 O-C-N 121.15 -1.206 . . . . 0.0 109.194 179.842 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' CYS . . . . . 0.406 ' C ' ' OE2' ' A' ' 67' ' ' GLU . 8.6 m -109.93 133.99 52.57 Favored 'General case' 0 N--CA 1.499 2.011 0 O-C-N 121.504 -0.748 . . . . 0.0 109.984 -179.123 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 84.4 m-20 -89.37 170.55 10.46 Favored 'General case' 0 N--CA 1.495 1.776 0 O-C-N 121.412 -0.805 . . . . 0.0 110.155 -179.864 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 9.1 t80 -57.81 -45.33 86.25 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.455 -0.778 . . . . 0.0 109.048 -179.417 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 30.4 tt0 -60.53 -41.07 93.67 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 121.127 -0.983 . . . . 0.0 108.911 179.467 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . 0.401 ' OE1' ' OD1' ' A' ' 61' ' ' ASP . 43.8 mt-10 -64.41 -40.05 95.03 Favored 'General case' 0 N--CA 1.49 1.546 0 N-CA-C 108.768 -0.827 . . . . 0.0 108.768 179.632 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 36.1 t80 -60.32 -40.02 89.11 Favored 'General case' 0 N--CA 1.488 1.473 0 N-CA-C 109.079 -0.712 . . . . 0.0 109.079 179.033 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 10.7 tpt -60.03 -39.92 87.54 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 121.268 -0.895 . . . . 0.0 109.283 -179.399 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . 0.427 ' O ' ' OG ' ' A' ' 78' ' ' SER . . . -60.08 -38.18 82.12 Favored 'General case' 0 N--CA 1.495 1.804 0 O-C-N 121.353 -0.842 . . . . 0.0 110.38 179.853 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 63.6 t80 -60.03 -39.1 84.7 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.168 -0.958 . . . . 0.0 109.221 -178.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 54.4 t -60.03 -40.04 82.05 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.527 0 O-C-N 121.304 -0.873 . . . . 0.0 109.227 -179.866 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' SER . . . . . 0.427 ' OG ' ' O ' ' A' ' 75' ' ' ALA . 86.3 p -59.93 -39.93 87.19 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.083 -1.011 . . . . 0.0 110.507 -179.081 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 48.6 ttm -60.06 -42.14 93.85 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 120.897 -1.127 . . . . 0.0 109.735 -179.912 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 54.4 t -60.6 -42.37 91.41 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.494 0 O-C-N 121.221 -0.924 . . . . 0.0 109.695 -179.489 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 94.6 m -62.97 -49.14 75.88 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.149 -0.969 . . . . 0.0 109.899 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 75.3 p -72.55 -39.38 67.51 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.167 -0.958 . . . . 0.0 109.882 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . 0.584 ' O ' ' N ' ' A' ' 85' ' ' HIS . . . -53.21 -19.94 3.55 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.318 -0.864 . . . . 0.0 110.211 -179.151 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 51.7 t -51.09 85.76 0.0 OUTLIER 'General case' 0 N--CA 1.494 1.752 0 O-C-N 121.34 -0.85 . . . . 0.0 109.722 -179.611 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 85' ' ' HIS . . . . . 0.584 ' N ' ' O ' ' A' ' 83' ' ' ALA . 85.5 t60 -69.01 -40.37 78.72 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.446 -0.784 . . . . 0.0 110.044 -179.559 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -89.75 125.73 35.4 Favored 'General case' 0 N--CA 1.496 1.829 0 O-C-N 121.332 -0.855 . . . . 0.0 110.367 -179.159 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -94.86 154.63 17.15 Favored 'General case' 0 N--CA 1.497 1.892 0 O-C-N 121.238 -0.914 . . . . 0.0 109.166 179.306 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 83.9 m-85 . . . . . 0 N--CA 1.489 1.48 0 O-C-N 121.476 -0.765 . . . . 0.0 109.014 -179.85 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 33.3 p . . . . . 0 N--CA 1.491 1.576 0 CA-C-O 121.366 0.603 . . . . 0.0 109.917 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 48.8 mt-10 -60.02 -28.37 67.67 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.288 -0.882 . . . . 0.0 110.635 -179.558 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 3' ' ' LEU . . . . . 0.502 ' O ' ' SD ' ' B' ' 7' ' ' MET . 1.4 mp -54.21 -50.6 66.73 Favored 'General case' 0 N--CA 1.494 1.752 0 O-C-N 120.648 -1.283 . . . . 0.0 108.924 -179.659 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 4' ' ' GLU . . . . . 0.407 ' CG ' ' OE1' ' A' ' 39' ' ' GLU . 61.8 mm-40 -60.03 -41.2 91.72 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 120.989 -1.069 . . . . 0.0 110.217 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 28.2 tptt -60.34 -39.95 88.93 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.241 -0.912 . . . . 0.0 109.406 -179.115 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -62.48 -50.13 72.63 Favored 'General case' 0 N--CA 1.494 1.736 0 O-C-N 121.396 -0.815 . . . . 0.0 110.794 -179.349 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 7' ' ' MET . . . . . 0.502 ' SD ' ' O ' ' B' ' 3' ' ' LEU . 3.5 mpp? -60.27 -40.29 89.86 Favored 'General case' 0 N--CA 1.496 1.844 0 O-C-N 120.858 -1.151 . . . . 0.0 109.821 -179.515 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 58.0 t -61.0 -40.05 84.27 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.464 0 O-C-N 121.224 -0.922 . . . . 0.0 109.8 -179.398 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -66.36 -40.91 90.07 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.193 -0.942 . . . . 0.0 110.292 -179.564 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 49.0 mt -64.27 -42.05 96.62 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 121.113 -0.992 . . . . 0.0 110.498 -179.407 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 96.8 mt -69.34 -47.45 73.17 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.676 0 O-C-N 121.019 -1.05 . . . . 0.0 110.319 -179.367 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 9.3 t0 -61.53 -40.07 93.31 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.131 -0.98 . . . . 0.0 110.596 -179.214 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 53.9 t -67.04 -40.91 86.52 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.678 0 O-C-N 121.028 -1.045 . . . . 0.0 110.572 -178.906 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 14' ' ' PHE . . . . . . . . . . . . . 58.7 t80 -60.08 -46.76 88.5 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 120.746 -1.221 . . . . 0.0 110.14 -178.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 86.1 t60 -59.96 -41.54 92.17 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.348 -0.845 . . . . 0.0 111.718 -179.074 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 97.6 mt-30 -61.09 -50.5 73.03 Favored 'General case' 0 N--CA 1.495 1.79 0 O-C-N 120.775 -1.203 . . . . 0.0 111.148 -178.155 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 53.5 m-85 -70.09 -39.16 75.74 Favored 'General case' 0 N--CA 1.495 1.778 0 O-C-N 120.984 -1.072 . . . . 0.0 110.571 -179.609 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 60.2 p -60.04 -41.17 91.71 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.032 -1.043 . . . . 0.0 109.722 -179.143 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -75.4 -40.87 31.99 Favored Glycine 0 N--CA 1.488 2.133 0 N-CA-C 109.994 -1.242 . . . . 0.0 109.994 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 2.7 tpm_? -59.97 -43.64 94.95 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.109 -1.23 . . . . 0.0 109.798 -179.493 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 21' ' ' GLU . . . . . 0.457 ' CD ' ' N ' ' B' ' 22' ' ' GLY . 15.2 tm-20 -169.19 147.69 3.83 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.072 -1.017 . . . . 0.0 109.774 -179.689 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 22' ' ' GLY . . . . . 0.457 ' N ' ' CD ' ' B' ' 21' ' ' GLU . . . 99.88 69.79 0.91 Allowed Glycine 0 N--CA 1.494 2.554 0 N-CA-C 109.497 -1.441 . . . . 0.0 109.497 179.778 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 23' ' ' ASP . . . . . 0.488 ' OD2' ' NZ ' ' B' ' 28' ' ' LYS . 81.3 m-20 51.15 177.95 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.39 -1.065 . . . . 0.0 109.915 179.864 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 9.2 mtmp? -95.75 -31.62 13.12 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 121.449 -0.782 . . . . 0.0 110.484 -179.309 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 25' ' ' HIS . . . . . 0.479 ' N ' ' ND1' ' B' ' 25' ' ' HIS . 12.4 p-80 -134.59 20.75 3.6 Favored 'General case' 0 N--CA 1.499 1.983 0 O-C-N 121.282 -0.886 . . . . 0.0 110.662 -178.739 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 25.1 mtpp -134.16 151.83 51.54 Favored 'General case' 0 N--CA 1.5 2.073 0 O-C-N 121.197 -0.939 . . . . 0.0 108.919 179.871 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 11.9 tp -99.84 128.34 45.94 Favored 'General case' 0 N--CA 1.498 1.953 0 O-C-N 121.154 -0.966 . . . . 0.0 109.373 -179.186 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 28' ' ' LYS . . . . . 0.488 ' NZ ' ' OD2' ' B' ' 23' ' ' ASP . 30.3 mmtm -106.24 173.91 6.11 Favored 'General case' 0 N--CA 1.498 1.954 0 O-C-N 121.427 -0.795 . . . . 0.0 109.635 179.897 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 65.7 mttm -60.05 -39.08 84.73 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.508 -0.745 . . . . 0.0 110.45 -179.193 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 55.3 m -60.04 -39.96 87.71 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.27 -0.894 . . . . 0.0 110.394 -177.812 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -67.33 -40.69 85.94 Favored 'General case' 0 C--N 1.302 -1.475 0 O-C-N 120.817 -1.177 . . . . 0.0 109.563 179.852 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 35.8 tp -61.26 -49.34 77.48 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.265 -0.897 . . . . 0.0 109.28 179.836 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 13.8 ttmm -59.96 -43.85 94.79 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.358 -0.839 . . . . 0.0 110.087 -178.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 34' ' ' GLU . . . . . 0.467 ' O ' ' ND2' ' B' ' 38' ' ' ASN . 68.1 mm-40 -70.01 -39.85 75.58 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.222 -0.923 . . . . 0.0 109.674 179.767 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 61.7 tp -60.02 -46.55 89.14 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.254 -0.904 . . . . 0.0 109.925 -179.12 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 96.2 mt -64.4 -40.01 87.58 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.624 0 O-C-N 121.024 -1.047 . . . . 0.0 109.548 179.892 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 37' ' ' ASN . . . . . 0.428 ' O ' ' O ' ' B' ' 38' ' ' ASN . 14.9 t-20 -65.27 -32.32 73.92 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.311 -0.868 . . . . 0.0 110.598 -179.586 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 38' ' ' ASN . . . . . 0.467 ' ND2' ' O ' ' B' ' 34' ' ' GLU . 4.1 m120 -41.6 -95.28 0.0 OUTLIER 'General case' 0 N--CA 1.497 1.877 0 O-C-N 121.255 -0.903 . . . . 0.0 111.078 -178.589 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 45.6 tt0 -111.06 -26.43 9.24 Favored 'General case' 0 N--CA 1.502 2.146 0 O-C-N 121.193 -0.942 . . . . 0.0 109.994 -179.375 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 77.4 mt -61.31 121.98 13.96 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 120.889 -1.132 . . . . 0.0 108.859 -179.201 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 41' ' ' SER . . . . . 0.464 ' O ' ' O ' ' B' ' 44' ' ' LEU . 53.1 p -164.56 -44.87 0.03 OUTLIER 'General case' 0 C--N 1.304 -1.408 0 O-C-N 121.526 -0.733 . . . . 0.0 109.226 -179.567 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 42' ' ' HIS . . . . . . . . . . . . . 55.0 t-80 -60.1 -45.45 92.9 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 120.925 -1.11 . . . . 0.0 109.193 179.778 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 44.0 m-85 -64.68 -43.41 93.63 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.326 -0.859 . . . . 0.0 109.993 -179.862 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 44' ' ' LEU . . . . . 0.464 ' O ' ' O ' ' B' ' 41' ' ' SER . 33.5 mt -131.99 141.69 49.36 Favored 'General case' 0 N--CA 1.499 1.984 0 O-C-N 121.442 -0.786 . . . . 0.0 109.215 -179.656 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -60.01 160.59 7.75 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.241 -0.912 . . . . 0.0 109.027 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -63.03 167.49 4.8 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.178 -0.952 . . . . 0.0 109.283 -179.885 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 42.3 mm -77.85 112.21 15.56 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.573 0 O-C-N 121.27 -0.894 . . . . 0.0 110.161 -178.502 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 21.2 ttpp -91.36 -76.16 0.45 Allowed 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.465 -0.772 . . . . 0.0 108.966 179.515 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -101.62 148.64 24.99 Favored 'General case' 0 N--CA 1.5 2.056 0 O-C-N 121.288 -0.883 . . . . 0.0 109.795 179.573 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 37.6 tt0 -60.02 -28.19 67.54 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.27 -0.894 . . . . 0.0 109.363 179.787 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 66.1 mm-40 -54.35 -40.0 67.66 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.265 -0.897 . . . . 0.0 109.425 -179.112 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 54.0 t -59.98 -45.78 94.91 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.469 0 O-C-N 121.142 -0.974 . . . . 0.0 108.887 -179.855 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 76.5 t -61.66 -44.78 99.24 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.422 0 O-C-N 121.413 -0.804 . . . . 0.0 109.481 -179.898 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 96.1 m-20 -61.16 -40.15 92.81 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.164 -0.96 . . . . 0.0 110.045 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 35.5 ttpt -65.37 -40.08 93.09 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.139 -0.976 . . . . 0.0 109.851 -179.62 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 70.1 t -67.36 -47.48 80.91 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.59 0 O-C-N 121.213 -0.93 . . . . 0.0 110.069 -179.338 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 57' ' ' MET . . . . . . . . . . . . . 99.3 mtp -69.66 -40.0 76.73 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.249 -0.907 . . . . 0.0 110.171 -179.208 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 54.2 tp10 -64.47 -40.12 95.09 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.3 -0.875 . . . . 0.0 110.878 -178.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 94.3 m -67.81 -50.06 58.86 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.037 -1.039 . . . . 0.0 111.235 -178.472 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 16.4 tp -80.03 -58.84 2.96 Favored 'General case' 0 C--N 1.299 -1.607 0 O-C-N 121.211 -0.931 . . . . 0.0 110.978 -178.176 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 61' ' ' ASP . . . . . 0.432 ' OD1' ' N ' ' B' ' 64' ' ' GLY . 17.7 t0 -81.37 89.21 6.09 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.183 -0.948 . . . . 0.0 110.669 -177.727 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 43.9 tt0 -69.68 -39.99 76.65 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.369 -0.832 . . . . 0.0 109.057 179.197 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 28.3 p-10 -97.92 16.65 20.27 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 121.44 -0.788 . . . . 0.0 109.88 -179.505 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 64' ' ' GLY . . . . . 0.445 ' O ' ' OD1' ' B' ' 65' ' ' ASP . . . -48.34 -28.16 6.16 Favored Glycine 0 N--CA 1.492 2.376 0 N-CA-C 110.173 -1.171 . . . . 0.0 110.173 -179.124 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 65' ' ' ASP . . . . . 0.445 ' OD1' ' O ' ' B' ' 64' ' ' GLY . 2.2 p-10 45.66 26.95 0.38 Allowed 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.347 -1.09 . . . . 0.0 110.005 179.808 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 82.48 -0.35 89.23 Favored Glycine 0 N--CA 1.494 2.548 0 N-CA-C 110.131 -1.188 . . . . 0.0 110.131 179.441 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 67' ' ' GLU . . . . . 0.404 ' OE2' ' C ' ' B' ' 68' ' ' CYS . 4.0 tm-20 -140.41 136.97 33.62 Favored 'General case' 0 N--CA 1.498 1.94 0 O-C-N 121.198 -1.178 . . . . 0.0 109.236 179.893 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 68' ' ' CYS . . . . . 0.404 ' C ' ' OE2' ' B' ' 67' ' ' GLU . 11.2 m -109.61 134.01 52.44 Favored 'General case' 0 N--CA 1.501 2.09 0 O-C-N 121.566 -0.709 . . . . 0.0 110.051 -179.286 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 84.5 m-20 -89.69 170.43 10.45 Favored 'General case' 0 N--CA 1.496 1.838 0 O-C-N 121.351 -0.843 . . . . 0.0 110.064 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 8.8 t80 -57.66 -45.3 85.7 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.382 -0.824 . . . . 0.0 109.089 -179.446 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 30.6 tt0 -60.93 -40.65 94.03 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.135 -0.978 . . . . 0.0 108.983 179.583 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 72' ' ' GLU . . . . . 0.416 ' OE1' ' OD2' ' B' ' 61' ' ' ASP . 43.7 mt-10 -64.72 -39.97 94.55 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.307 -0.87 . . . . 0.0 108.774 179.674 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 73' ' ' PHE . . . . . . . . . . . . . 33.1 t80 -60.26 -39.89 88.38 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.605 -0.684 . . . . 0.0 109.199 178.913 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 74' ' ' MET . . . . . . . . . . . . . 10.5 tpt -60.07 -39.96 87.86 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.44 -0.787 . . . . 0.0 109.215 -179.477 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 75' ' ' ALA . . . . . 0.425 ' O ' ' OG ' ' B' ' 78' ' ' SER . . . -60.06 -38.1 81.83 Favored 'General case' 0 N--CA 1.495 1.811 0 O-C-N 121.323 -0.861 . . . . 0.0 110.426 179.75 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 64.3 t80 -60.08 -39.14 85.06 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.173 -0.955 . . . . 0.0 109.108 -179.006 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 77' ' ' VAL . . . . . . . . . . . . . 54.5 t -60.05 -39.95 81.81 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.528 0 O-C-N 121.218 -0.926 . . . . 0.0 109.343 -179.891 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 78' ' ' SER . . . . . 0.425 ' OG ' ' O ' ' B' ' 75' ' ' ALA . 85.9 p -59.97 -40.04 87.74 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.178 -0.951 . . . . 0.0 110.495 -179.252 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 79' ' ' MET . . . . . . . . . . . . . 48.1 ttm -59.96 -42.56 94.34 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 120.886 -1.134 . . . . 0.0 109.708 -179.849 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 54.5 t -60.01 -42.43 89.6 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.54 0 O-C-N 121.273 -0.892 . . . . 0.0 109.787 -179.529 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 94.5 m -62.86 -49.22 75.74 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.042 -1.036 . . . . 0.0 109.997 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 79.9 p -72.73 -39.47 66.87 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.2 -0.938 . . . . 0.0 109.844 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 83' ' ' ALA . . . . . 0.575 ' O ' ' N ' ' B' ' 85' ' ' HIS . . . -53.11 -20.02 3.38 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.366 -0.833 . . . . 0.0 110.196 -179.318 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 84' ' ' CYS . . . . . . . . . . . . . 49.0 t -51.02 85.84 0.0 OUTLIER 'General case' 0 N--CA 1.495 1.823 0 O-C-N 121.247 -0.908 . . . . 0.0 109.705 -179.562 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 85' ' ' HIS . . . . . 0.575 ' N ' ' O ' ' B' ' 83' ' ' ALA . 85.3 t60 -69.07 -40.46 78.46 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.364 -0.835 . . . . 0.0 110.079 -179.529 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -89.61 126.21 35.53 Favored 'General case' 0 N--CA 1.496 1.827 0 O-C-N 121.331 -0.855 . . . . 0.0 110.256 -179.118 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 87' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -95.09 154.48 17.16 Favored 'General case' 0 N--CA 1.496 1.849 0 O-C-N 121.331 -0.855 . . . . 0.0 109.271 179.183 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 86.0 m-85 . . . . . 0 N--CA 1.489 1.503 0 O-C-N 121.421 -0.799 . . . . 0.0 109.169 -179.951 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 80.6 p . . . . . 0 N--CA 1.49 1.535 0 CA-C-O 121.525 0.679 . . . . 0.0 110.016 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 95.8 mt-10 -60.09 -39.44 86.14 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.509 -0.745 . . . . 0.0 109.55 179.538 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -60.1 -42.73 95.28 Favored 'General case' 0 C--N 1.301 -1.521 0 O-C-N 121.205 -0.935 . . . . 0.0 108.701 -179.352 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 78.9 mm-40 -60.26 -43.46 96.12 Favored 'General case' 0 C--N 1.304 -1.411 0 O-C-N 121.193 -0.942 . . . . 0.0 109.297 179.852 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 36.4 ttmt -63.35 -40.16 96.52 Favored 'General case' 0 N--CA 1.487 1.417 0 O-C-N 121.378 -0.826 . . . . 0.0 109.428 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -60.08 -48.05 83.33 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.35 -0.844 . . . . 0.0 110.05 -179.439 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 8.7 ttp -60.2 -40.26 89.43 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 120.94 -1.1 . . . . 0.0 109.656 -179.934 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 53.6 t -65.53 -39.12 84.12 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.577 0 O-C-N 121.396 -0.815 . . . . 0.0 109.407 179.67 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.9 -40.21 87.98 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.281 -0.887 . . . . 0.0 110.414 -178.758 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 2.2 mm? -59.93 -43.52 94.88 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 120.498 -1.376 . . . . 0.0 109.186 179.884 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 94.6 mt -71.23 -47.17 61.87 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.64 0 O-C-N 120.922 -1.111 . . . . 0.0 110.532 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 45.7 t0 -68.99 -45.28 70.99 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.083 -1.011 . . . . 0.0 111.073 -178.895 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 53.6 t -60.97 -40.9 87.03 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.868 0 O-C-N 120.8 -1.188 . . . . 0.0 110.213 -179.093 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 55.2 t80 -59.87 -44.22 94.28 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.085 -1.009 . . . . 0.0 110.255 -178.802 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 56.9 t-80 -67.14 -39.61 86.59 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.335 -0.853 . . . . 0.0 111.333 -178.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 15.5 mm100 -59.91 -48.41 81.79 Favored 'General case' 0 N--CA 1.496 1.843 0 O-C-N 121.035 -1.041 . . . . 0.0 111.325 -178.151 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 50.4 m-85 -69.67 -40.07 76.62 Favored 'General case' 0 N--CA 1.496 1.836 0 O-C-N 120.624 -1.297 . . . . 0.0 110.601 -179.433 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 39.1 t -60.84 -43.0 98.86 Favored 'General case' 0 N--CA 1.494 1.762 0 O-C-N 120.904 -1.123 . . . . 0.0 111.174 -179.03 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -82.41 -2.85 90.68 Favored Glycine 0 N--CA 1.494 2.55 0 O-C-N 121.064 -1.022 . . . . 0.0 111.551 -178.515 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 2.3 ppt_? -60.1 -40.89 91.22 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 120.447 -1.62 . . . . 0.0 111.002 -178.036 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 88.9 tt0 -78.28 -40.28 37.45 Favored 'General case' 0 N--CA 1.496 1.852 0 O-C-N 120.464 -1.398 . . . . 0.0 109.819 179.786 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 151.28 -28.34 0.98 Allowed Glycine 0 N--CA 1.492 2.393 0 N-CA-C 109.304 -1.518 . . . . 0.0 109.304 -179.762 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 93.9 m-20 -96.45 110.96 23.23 Favored 'General case' 0 N--CA 1.497 1.895 0 O-C-N 121.354 -1.086 . . . . 0.0 108.854 179.678 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 16.5 pttm -100.06 98.84 9.53 Favored 'General case' 0 N--CA 1.499 1.983 0 O-C-N 121.324 -0.86 . . . . 0.0 110.056 -179.792 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 21.3 t-160 -177.78 -47.19 0.01 OUTLIER 'General case' 0 N--CA 1.495 1.8 0 O-C-N 121.294 -0.879 . . . . 0.0 110.196 179.484 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 48.6 pttt -146.27 161.78 39.53 Favored 'General case' 0 N--CA 1.496 1.849 0 O-C-N 121.193 -0.942 . . . . 0.0 110.076 -178.292 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 5.4 mp -105.84 141.99 36.31 Favored 'General case' 0 N--CA 1.497 1.888 0 O-C-N 121.35 -0.844 . . . . 0.0 109.224 -179.523 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -91.28 177.42 6.25 Favored 'General case' 0 N--CA 1.497 1.908 0 O-C-N 121.186 -0.947 . . . . 0.0 108.964 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 5.9 mtmp? -60.06 -45.99 91.02 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.136 -0.978 . . . . 0.0 110.546 -178.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 34.5 t -64.03 -44.51 92.34 Favored 'General case' 0 N--CA 1.494 1.755 0 O-C-N 120.983 -1.073 . . . . 0.0 110.04 -179.088 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 84.2 tt0 -70.04 -30.84 68.21 Favored 'General case' 0 C--N 1.298 -1.631 0 O-C-N 121.352 -0.842 . . . . 0.0 110.094 -179.697 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 59.5 tp -59.82 -50.0 75.52 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.371 -0.83 . . . . 0.0 110.576 -178.212 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.63 -37.32 83.57 Favored 'General case' 0 C--N 1.297 -1.685 0 O-C-N 121.023 -1.048 . . . . 0.0 109.681 -179.921 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . 0.468 ' O ' ' OD1' ' A' ' 38' ' ' ASN . 87.6 tt0 -60.22 -44.86 94.82 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 120.89 -1.131 . . . . 0.0 109.957 -179.451 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 18.0 tp -60.19 -40.41 89.95 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.44 -0.787 . . . . 0.0 109.284 -179.641 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 97.1 mt -69.94 -36.89 71.09 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.642 0 O-C-N 121.536 -0.728 . . . . 0.0 110.374 -179.785 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 52.7 t30 -59.44 -46.09 89.73 Favored 'General case' 0 N--CA 1.497 1.913 0 O-C-N 121.16 -0.962 . . . . 0.0 111.159 -177.806 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . 0.522 HD21 ' CD ' ' A' ' 39' ' ' GLU . 0.3 OUTLIER -79.68 -19.96 47.72 Favored 'General case' 0 N--CA 1.496 1.841 0 O-C-N 120.708 -1.245 . . . . 0.0 109.539 -179.962 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . 0.522 ' CD ' HD21 ' A' ' 38' ' ' ASN . 0.2 OUTLIER -86.92 -75.39 0.4 Allowed 'General case' 0 N--CA 1.496 1.841 0 O-C-N 121.112 -0.992 . . . . 0.0 109.221 179.796 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 5.5 mp -91.79 104.23 16.7 Favored 'General case' 0 N--CA 1.497 1.884 0 O-C-N 121.032 -1.042 . . . . 0.0 109.345 -179.713 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 94.4 p -101.93 -43.21 5.86 Favored 'General case' 0 N--CA 1.495 1.793 0 O-C-N 121.541 -0.724 . . . . 0.0 110.31 -179.836 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 73.0 t60 -124.48 -12.53 7.24 Favored 'General case' 0 N--CA 1.506 2.355 0 O-C-N 121.104 -0.998 . . . . 0.0 110.55 -179.474 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 41.4 t80 -66.9 -42.96 84.59 Favored 'General case' 0 N--CA 1.492 1.675 0 O-C-N 120.708 -1.245 . . . . 0.0 109.162 -179.874 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 10.4 tp -103.18 132.89 49.09 Favored 'General case' 0 N--CA 1.496 1.866 0 O-C-N 121.516 -0.74 . . . . 0.0 109.268 -179.668 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 86.8 tt0 -100.01 -10.12 21.95 Favored 'General case' 0 N--CA 1.495 1.792 0 O-C-N 121.266 -0.896 . . . . 0.0 109.885 -179.761 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . 0.41 ' HG3' ' H ' ' A' ' 47' ' ' ILE . 5.1 tp10 -78.35 -164.46 0.56 Allowed 'General case' 0 N--CA 1.495 1.788 0 O-C-N 120.791 -1.193 . . . . 0.0 110.803 -178.736 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . 0.41 ' H ' ' HG3' ' A' ' 46' ' ' GLU . 90.3 mt 56.57 72.6 0.1 Allowed 'Isoleucine or valine' 0 N--CA 1.497 1.888 0 O-C-N 121.536 -0.727 . . . . 0.0 109.211 -178.751 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 9.8 pttm -108.61 -42.85 4.42 Favored 'General case' 0 N--CA 1.501 2.108 0 O-C-N 121.476 -0.765 . . . . 0.0 109.678 179.926 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 14.9 mp0 -113.02 153.51 27.99 Favored 'General case' 0 N--CA 1.507 2.397 0 O-C-N 121.283 -0.885 . . . . 0.0 109.276 178.879 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 2.8 tm0? -60.25 -40.23 89.57 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.551 -0.718 . . . . 0.0 110.814 -179.624 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 4.5 pt-20 -60.19 -38.84 84.48 Favored 'General case' 0 N--CA 1.496 1.833 0 O-C-N 120.959 -1.088 . . . . 0.0 109.48 -179.629 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 54.0 t -60.05 -40.54 83.53 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.508 0 O-C-N 121.184 -0.948 . . . . 0.0 108.617 179.861 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 56.0 t -60.89 -40.54 85.65 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.785 0 O-C-N 121.321 -0.862 . . . . 0.0 109.684 179.348 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . 0.486 ' O ' ' OE1' ' A' ' 58' ' ' GLU . 93.5 m-20 -60.1 -41.25 92.14 Favored 'General case' 0 C--N 1.301 -1.534 0 O-C-N 121.256 -0.903 . . . . 0.0 109.987 -179.1 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 36.1 ttmt -60.72 -40.55 92.72 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.075 -1.015 . . . . 0.0 110.204 -179.67 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 62.6 t -60.82 -40.05 83.88 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.603 0 O-C-N 121.472 -0.767 . . . . 0.0 110.255 -179.234 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 33.3 ttm -60.19 -51.36 69.9 Favored 'General case' 0 N--CA 1.498 1.951 0 O-C-N 121.256 -0.903 . . . . 0.0 112.078 -178.679 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . 0.486 ' OE1' ' O ' ' A' ' 54' ' ' ASP . 10.8 mp0 -60.47 -40.1 90.05 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 120.958 -1.089 . . . . 0.0 109.457 -179.429 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 94.0 m -63.92 -49.51 72.34 Favored 'General case' 0 C--N 1.298 -1.635 0 C-N-CA 119.479 -0.888 . . . . 0.0 109.109 179.669 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 12.8 tp -69.19 -50.93 42.96 Favored 'General case' 0 C--N 1.303 -1.425 0 O-C-N 121.555 -0.716 . . . . 0.0 109.722 179.896 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 19.4 m-20 -81.87 105.99 13.44 Favored 'General case' 0 N--CA 1.495 1.805 0 O-C-N 121.061 -1.024 . . . . 0.0 110.093 -179.538 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 53.8 tp10 -69.95 -34.86 73.98 Favored 'General case' 0 N--CA 1.496 1.862 0 O-C-N 121.238 -0.914 . . . . 0.0 109.139 179.31 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . 0.405 ' OD1' ' N ' ' A' ' 65' ' ' ASP . 6.8 p30 -83.62 -6.37 59.43 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.521 -0.737 . . . . 0.0 110.762 -179.394 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 51.19 48.25 47.49 Favored Glycine 0 N--CA 1.491 2.312 0 N-CA-C 109.612 -1.395 . . . . 0.0 109.612 -179.513 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . 0.405 ' N ' ' OD1' ' A' ' 63' ' ' ASP . 96.3 m-20 -69.95 -19.63 63.36 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 120.895 -1.356 . . . . 0.0 109.893 -179.796 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 89.55 -11.41 70.16 Favored Glycine 0 N--CA 1.497 2.718 0 C-N-CA 120.166 -1.016 . . . . 0.0 110.563 178.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 -134.81 148.97 50.31 Favored 'General case' 0 N--CA 1.498 1.956 0 O-C-N 121.26 -1.141 . . . . 0.0 108.894 -179.849 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 7.9 p -106.2 118.46 36.69 Favored 'General case' 0 N--CA 1.5 2.06 0 O-C-N 121.331 -0.856 . . . . 0.0 110.48 -178.936 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 22.9 p30 -89.38 -177.78 5.44 Favored 'General case' 0 N--CA 1.498 1.93 0 O-C-N 121.06 -1.025 . . . . 0.0 108.838 178.576 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 70.7 t80 -60.2 -46.94 88.01 Favored 'General case' 0 N--CA 1.494 1.74 0 O-C-N 121.094 -1.004 . . . . 0.0 111.319 -178.565 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 1.4 pt20 -60.21 -50.05 75.2 Favored 'General case' 0 N--CA 1.495 1.779 0 O-C-N 120.82 -1.175 . . . . 0.0 110.009 -178.785 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 94.4 mt-10 -61.06 -37.26 82.05 Favored 'General case' 0 N--CA 1.497 1.88 0 O-C-N 120.795 -1.191 . . . . 0.0 109.192 179.131 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 89.0 t80 -59.86 -44.46 94.14 Favored 'General case' 0 N--CA 1.488 1.464 0 O-C-N 121.355 -0.841 . . . . 0.0 109.483 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 4.3 ttt -61.76 -37.73 85.4 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.212 -0.93 . . . . 0.0 109.273 179.559 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -59.33 -39.83 84.39 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.257 -0.902 . . . . 0.0 109.001 -179.831 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 62.6 t80 -60.28 -49.13 78.82 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.199 -0.938 . . . . 0.0 109.236 179.396 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 56.7 t -62.57 -45.7 98.17 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.491 0 O-C-N 121.335 -0.853 . . . . 0.0 109.338 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 53.1 m -62.73 -42.5 99.69 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.576 -0.703 . . . . 0.0 109.889 -179.819 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 5.9 ttp -61.9 -48.94 78.24 Favored 'General case' 0 N--CA 1.494 1.758 0 O-C-N 121.116 -0.99 . . . . 0.0 109.243 179.843 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 78.7 t -68.33 -41.86 83.9 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.472 0 O-C-N 121.547 -0.721 . . . . 0.0 109.226 179.919 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 92.2 m -62.77 -40.05 96.07 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.252 -0.905 . . . . 0.0 109.557 -179.685 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 93.2 m -69.57 -41.69 75.51 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.347 -0.846 . . . . 0.0 110.793 -179.425 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -62.87 -48.11 80.45 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 120.977 -1.077 . . . . 0.0 109.451 -179.457 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 84' ' ' CYS . . . . . 0.498 ' O ' ' SG ' ' A' ' 84' ' ' CYS . 28.0 p -80.03 105.44 11.31 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.181 -0.949 . . . . 0.0 108.94 179.69 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 6.8 t60 -61.56 -40.4 94.58 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.275 -0.891 . . . . 0.0 109.59 -179.589 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -152.49 -77.48 0.12 Allowed 'General case' 0 N--CA 1.496 1.867 0 N-CA-C 108.046 -1.094 . . . . 0.0 108.046 179.37 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER 59.78 18.78 7.62 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.423 -0.798 . . . . 0.0 109.42 179.212 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . 0.545 ' CD1' ' O ' ' A' ' 88' ' ' PHE . 0.2 OUTLIER . . . . . 0 N--CA 1.493 1.695 0 O-C-N 121.136 -0.978 . . . . 0.0 109.305 179.877 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 77.2 p . . . . . 0 N--CA 1.488 1.455 0 CA-C-O 121.635 0.731 . . . . 0.0 109.905 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -60.67 -39.79 89.72 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.561 -0.712 . . . . 0.0 109.502 179.919 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -59.94 -41.59 92.16 Favored 'General case' 0 C--N 1.3 -1.581 0 O-C-N 121.183 -0.948 . . . . 0.0 108.922 -179.365 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 79.2 mm-40 -61.06 -44.83 96.8 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.326 -0.858 . . . . 0.0 109.187 179.819 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 36.8 ttmt -62.27 -39.91 94.5 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.371 -0.83 . . . . 0.0 109.69 179.49 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -60.17 -48.58 81.13 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.24 -0.912 . . . . 0.0 110.013 -179.462 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 7' ' ' MET . . . . . . . . . . . . . 7.5 ttp -59.92 -40.37 88.64 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 120.981 -1.075 . . . . 0.0 109.677 -179.786 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 54.2 t -65.41 -38.93 83.69 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.625 0 O-C-N 121.25 -0.906 . . . . 0.0 109.634 179.356 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.19 -40.59 86.2 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.231 -0.918 . . . . 0.0 110.35 -178.881 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -59.82 -43.6 94.46 Favored 'General case' 0 N--CA 1.496 1.861 0 O-C-N 120.634 -1.291 . . . . 0.0 109.511 179.878 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 94.4 mt -71.48 -47.27 59.57 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.621 0 O-C-N 120.971 -1.081 . . . . 0.0 110.298 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 45.4 t0 -69.39 -45.55 69.01 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.187 -0.946 . . . . 0.0 111.149 -178.936 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 70.5 t -60.31 -41.07 85.8 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.812 0 O-C-N 120.795 -1.191 . . . . 0.0 110.161 -179.15 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 14' ' ' PHE . . . . . . . . . . . . . 53.5 t80 -59.93 -45.17 93.46 Favored 'General case' 0 C--N 1.296 -1.729 0 O-C-N 121.086 -1.008 . . . . 0.0 110.382 -178.67 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 56.1 t-80 -65.89 -39.69 90.88 Favored 'General case' 0 C--N 1.297 -1.714 0 O-C-N 121.425 -0.797 . . . . 0.0 111.298 -179.034 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 15.3 mm100 -59.95 -49.21 78.59 Favored 'General case' 0 N--CA 1.498 1.929 0 O-C-N 120.866 -1.146 . . . . 0.0 111.254 -177.936 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 51.7 m-85 -68.86 -40.15 79.49 Favored 'General case' 0 N--CA 1.497 1.902 0 O-C-N 120.688 -1.258 . . . . 0.0 110.99 -179.209 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 42.4 t -60.86 -43.87 97.78 Favored 'General case' 0 N--CA 1.498 1.941 0 O-C-N 120.675 -1.265 . . . . 0.0 110.881 -178.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -81.43 -3.2 90.69 Favored Glycine 0 N--CA 1.491 2.353 0 O-C-N 121.117 -0.989 . . . . 0.0 111.66 -178.449 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 2.0 ppt_? -60.1 -41.23 92.08 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 120.574 -1.545 . . . . 0.0 110.86 -178.358 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 87.5 tt0 -77.66 -40.2 42.43 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 120.632 -1.293 . . . . 0.0 109.57 -179.807 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . 150.89 -28.24 1.02 Allowed Glycine 0 N--CA 1.493 2.437 0 N-CA-C 109.287 -1.525 . . . . 0.0 109.287 -179.572 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 94.7 m-20 -96.58 110.87 23.19 Favored 'General case' 0 N--CA 1.495 1.782 0 O-C-N 121.292 -1.122 . . . . 0.0 108.846 179.83 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 16.1 pttm -99.77 99.51 10.34 Favored 'General case' 0 N--CA 1.501 2.087 0 O-C-N 121.282 -0.886 . . . . 0.0 110.302 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 25' ' ' HIS . . . . . . . . . . . . . 21.4 t-160 -178.45 -47.95 0.01 OUTLIER 'General case' 0 N--CA 1.495 1.818 0 O-C-N 121.48 -0.762 . . . . 0.0 110.293 179.333 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 48.9 pttt -146.27 161.08 41.06 Favored 'General case' 0 N--CA 1.496 1.828 0 O-C-N 121.288 -0.883 . . . . 0.0 110.057 -178.096 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 5.4 mp -104.78 142.01 35.47 Favored 'General case' 0 N--CA 1.5 2.038 0 O-C-N 121.332 -0.855 . . . . 0.0 109.798 -179.482 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -90.42 176.82 6.57 Favored 'General case' 0 N--CA 1.498 1.947 0 O-C-N 121.141 -0.974 . . . . 0.0 109.106 179.636 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 5.9 mtmp? -59.93 -47.11 87.11 Favored 'General case' 0 N--CA 1.495 1.789 0 O-C-N 120.991 -1.068 . . . . 0.0 110.493 -178.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 47.3 t -62.85 -44.32 96.45 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 121.081 -1.012 . . . . 0.0 109.994 -179.21 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 86.4 tt0 -70.03 -31.95 69.85 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.398 -0.814 . . . . 0.0 110.217 -179.761 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 69.0 tp -59.87 -49.94 75.72 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.16 -0.962 . . . . 0.0 110.122 -178.178 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.59 -38.29 84.15 Favored 'General case' 0 C--N 1.302 -1.484 0 O-C-N 120.971 -1.08 . . . . 0.0 109.74 179.764 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 34' ' ' GLU . . . . . 0.466 ' O ' ' OD1' ' B' ' 38' ' ' ASN . 88.0 tt0 -60.19 -44.23 95.26 Favored 'General case' 0 N--CA 1.494 1.769 0 O-C-N 120.964 -1.085 . . . . 0.0 110.063 -179.578 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 21.1 tp -60.07 -41.27 92.06 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 121.349 -0.845 . . . . 0.0 109.167 -179.682 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 96.7 mt -69.65 -35.93 68.18 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.6 0 O-C-N 121.57 -0.706 . . . . 0.0 110.532 -179.609 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 52.6 t30 -59.77 -46.69 88.41 Favored 'General case' 0 N--CA 1.498 1.938 0 O-C-N 121.018 -1.051 . . . . 0.0 111.404 -177.737 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 38' ' ' ASN . . . . . 0.503 HD21 ' CD ' ' B' ' 39' ' ' GLU . 0.3 OUTLIER -79.76 -17.38 53.6 Favored 'General case' 0 N--CA 1.498 1.957 0 O-C-N 120.705 -1.247 . . . . 0.0 109.86 -179.866 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' B' B ' 39' ' ' GLU . . . . . 0.503 ' CD ' HD21 ' B' ' 38' ' ' ASN . 0.2 OUTLIER -88.53 -74.98 0.44 Allowed 'General case' 0 N--CA 1.496 1.851 0 O-C-N 120.854 -1.154 . . . . 0.0 109.04 179.641 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 5.5 mp -93.45 103.65 15.84 Favored 'General case' 0 N--CA 1.497 1.897 0 O-C-N 121.208 -0.932 . . . . 0.0 109.215 -179.594 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 54.2 p -100.97 -42.69 6.31 Favored 'General case' 0 N--CA 1.496 1.837 0 O-C-N 121.337 -0.852 . . . . 0.0 110.261 179.862 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 42' ' ' HIS . . . . . . . . . . . . . 70.7 t60 -124.35 -12.14 7.34 Favored 'General case' 0 N--CA 1.503 2.216 0 O-C-N 121.332 -0.855 . . . . 0.0 110.495 -178.918 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 43.8 t80 -67.5 -43.08 81.75 Favored 'General case' 0 N--CA 1.496 1.828 0 O-C-N 120.739 -1.226 . . . . 0.0 108.899 -179.587 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 7.9 tp -103.66 132.57 49.79 Favored 'General case' 0 N--CA 1.494 1.752 0 N-CA-C 109.104 -0.702 . . . . 0.0 109.104 -179.621 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 86.8 tt0 -99.7 -10.45 21.91 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.435 -0.79 . . . . 0.0 109.787 -179.577 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 46' ' ' GLU . . . . . 0.429 ' HG3' ' H ' ' B' ' 47' ' ' ILE . 5.4 tp10 -78.32 -164.21 0.53 Allowed 'General case' 0 N--CA 1.493 1.694 0 O-C-N 120.597 -1.314 . . . . 0.0 110.536 -178.659 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 47' ' ' ILE . . . . . 0.429 ' H ' ' HG3' ' B' ' 46' ' ' GLU . 87.4 mt 56.84 72.59 0.1 Allowed 'Isoleucine or valine' 0 N--CA 1.496 1.861 0 O-C-N 121.499 -0.751 . . . . 0.0 109.19 -178.909 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 8.9 pttm -108.8 -43.77 4.17 Favored 'General case' 0 N--CA 1.501 2.12 0 O-C-N 121.493 -0.754 . . . . 0.0 109.93 -179.89 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 13.7 mp0 -111.8 153.84 25.97 Favored 'General case' 0 N--CA 1.506 2.345 0 O-C-N 121.384 -0.822 . . . . 0.0 109.325 179.083 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 3.9 tm0? -60.43 -40.53 91.42 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.605 -0.684 . . . . 0.0 110.573 -179.724 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 4.3 pt-20 -59.98 -39.1 84.52 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 121.07 -1.019 . . . . 0.0 109.527 -179.683 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 56.0 t -60.19 -40.57 83.97 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.375 0 O-C-N 121.252 -0.905 . . . . 0.0 108.698 179.685 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 55.5 t -60.66 -40.4 84.61 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.635 0 O-C-N 121.237 -0.915 . . . . 0.0 109.843 178.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 54' ' ' ASP . . . . . 0.499 ' O ' ' OE1' ' B' ' 58' ' ' GLU . 92.7 m-20 -60.16 -41.4 92.75 Favored 'General case' 0 N--CA 1.487 1.415 0 C-N-CA 119.215 -0.994 . . . . 0.0 109.644 -178.357 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 35.4 ttmt -59.97 -40.71 90.02 Favored 'General case' 0 N--CA 1.494 1.742 0 O-C-N 121.055 -1.028 . . . . 0.0 110.145 -179.52 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 54.2 t -60.84 -39.96 83.61 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.633 0 O-C-N 121.396 -0.815 . . . . 0.0 110.512 -179.125 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 57' ' ' MET . . . . . . . . . . . . . 31.7 ttm -60.18 -51.44 69.57 Favored 'General case' 0 N--CA 1.496 1.864 0 O-C-N 121.306 -0.871 . . . . 0.0 111.741 -178.53 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 58' ' ' GLU . . . . . 0.499 ' OE1' ' O ' ' B' ' 54' ' ' ASP . 9.8 mp0 -59.96 -40.37 88.82 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 120.98 -1.075 . . . . 0.0 109.434 -179.724 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 95.2 m -63.99 -49.98 70.35 Favored 'General case' 0 C--N 1.301 -1.503 0 C-N-CA 119.499 -0.88 . . . . 0.0 109.16 179.847 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 13.9 tp -68.87 -50.76 47.04 Favored 'General case' 0 C--N 1.302 -1.483 0 O-C-N 121.468 -0.77 . . . . 0.0 109.533 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 18.8 m-20 -81.74 105.04 12.56 Favored 'General case' 0 N--CA 1.498 1.93 0 O-C-N 121.099 -1.001 . . . . 0.0 110.531 -179.597 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 53.9 tp10 -70.0 -33.33 71.89 Favored 'General case' 0 N--CA 1.498 1.956 0 O-C-N 121.278 -0.889 . . . . 0.0 109.444 179.316 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 7.8 p30 -85.68 -5.82 59.21 Favored 'General case' 0 N--CA 1.499 1.989 0 O-C-N 121.285 -0.884 . . . . 0.0 110.136 -179.492 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 49.55 49.53 32.92 Favored Glycine 0 N--CA 1.493 2.462 0 N-CA-C 109.47 -1.452 . . . . 0.0 109.47 -179.281 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 94.3 m-20 -70.05 -19.55 63.28 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 120.95 -1.323 . . . . 0.0 109.507 -179.734 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 89.93 -10.73 72.89 Favored Glycine 0 N--CA 1.497 2.716 0 N-CA-C 110.435 -1.066 . . . . 0.0 110.435 178.774 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -134.53 148.62 50.55 Favored 'General case' 0 N--CA 1.498 1.95 0 O-C-N 121.34 -1.094 . . . . 0.0 108.721 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 68' ' ' CYS . . . . . . . . . . . . . 11.4 p -106.67 118.9 37.89 Favored 'General case' 0 N--CA 1.5 2.035 0 O-C-N 121.286 -0.884 . . . . 0.0 110.362 -179.098 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 24.9 p30 -89.94 -178.32 5.43 Favored 'General case' 0 N--CA 1.495 1.802 0 O-C-N 121.133 -0.98 . . . . 0.0 108.804 178.853 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 76.7 t80 -59.62 -47.43 85.62 Favored 'General case' 0 N--CA 1.496 1.827 0 O-C-N 121.249 -0.907 . . . . 0.0 111.349 -178.514 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 1.5 pt20 -59.84 -48.7 80.61 Favored 'General case' 0 N--CA 1.494 1.74 0 O-C-N 120.667 -1.271 . . . . 0.0 109.973 -178.665 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 94.7 mt-10 -62.76 -36.67 83.82 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 120.802 -1.186 . . . . 0.0 109.085 179.613 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 73' ' ' PHE . . . . . . . . . . . . . 89.2 t80 -60.02 -44.61 94.5 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.606 -0.684 . . . . 0.0 109.179 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 74' ' ' MET . . . . . . . . . . . . . 3.9 ttt -60.37 -38.83 85.11 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.299 -0.876 . . . . 0.0 109.205 179.294 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -59.36 -40.07 85.26 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.144 -0.973 . . . . 0.0 109.239 -179.118 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 54.6 t80 -59.95 -49.29 78.28 Favored 'General case' 0 C--N 1.302 -1.496 0 O-C-N 121.352 -0.842 . . . . 0.0 109.455 179.535 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 77' ' ' VAL . . . . . . . . . . . . . 54.6 t -61.99 -46.6 96.12 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.517 0 O-C-N 121.258 -0.901 . . . . 0.0 108.759 179.55 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 78' ' ' SER . . . . . . . . . . . . . 57.0 m -61.48 -43.86 98.12 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.408 -0.808 . . . . 0.0 109.845 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 79' ' ' MET . . . . . . . . . . . . . 7.1 ttp -60.4 -49.58 77.0 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.168 -0.957 . . . . 0.0 109.493 179.66 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 73.8 t -68.66 -41.17 82.55 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.51 0 O-C-N 121.467 -0.77 . . . . 0.0 109.338 -179.687 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 92.0 m -62.67 -40.33 96.74 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.305 -0.872 . . . . 0.0 109.463 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 89.9 m -69.39 -43.57 73.23 Favored 'General case' 0 N--CA 1.494 1.761 0 O-C-N 121.408 -0.807 . . . . 0.0 110.636 -179.228 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -60.96 -48.37 82.13 Favored 'General case' 0 N--CA 1.495 1.776 0 O-C-N 120.99 -1.069 . . . . 0.0 109.696 -179.373 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 84' ' ' CYS . . . . . 0.507 ' SG ' ' O ' ' B' ' 84' ' ' CYS . 29.6 p -80.57 105.57 11.92 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 121.185 -0.947 . . . . 0.0 108.945 179.74 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 85' ' ' HIS . . . . . . . . . . . . . 6.5 t60 -61.21 -39.99 92.31 Favored 'General case' 0 C--N 1.302 -1.483 0 O-C-N 121.136 -0.977 . . . . 0.0 109.778 -179.511 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -153.29 -76.7 0.12 Allowed 'General case' 0 N--CA 1.496 1.869 0 N-CA-C 108.0 -1.111 . . . . 0.0 108.0 179.608 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 87' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER 58.72 19.67 7.07 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.506 -0.746 . . . . 0.0 109.607 179.284 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 88' ' ' PHE . . . . . 0.541 ' O ' ' CD1' ' B' ' 88' ' ' PHE . 0.2 OUTLIER . . . . . 0 N--CA 1.492 1.645 0 O-C-N 121.066 -1.021 . . . . 0.0 109.428 179.849 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 25.9 t . . . . . 0 N--CA 1.498 1.948 0 N-CA-C 109.152 -0.684 . . . . 0.0 109.152 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 81.3 mm-40 -68.28 -38.06 81.31 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.282 -0.886 . . . . 0.0 109.231 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 6.4 tp -60.04 -43.45 95.32 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.249 -0.907 . . . . 0.0 109.103 -179.813 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 40.5 tt0 -63.81 -39.94 95.44 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.237 -0.914 . . . . 0.0 110.294 -179.792 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 3.2 ttmp? -60.11 -41.41 92.54 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.018 -1.051 . . . . 0.0 108.742 -179.691 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -61.98 -40.01 94.12 Favored 'General case' 0 C--N 1.303 -1.439 0 O-C-N 121.376 -0.827 . . . . 0.0 109.3 179.712 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 91.1 mmm -60.11 -39.94 87.94 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.203 -0.936 . . . . 0.0 109.833 -179.636 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 54.4 t -67.6 -40.1 83.53 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.661 0 O-C-N 121.095 -1.003 . . . . 0.0 109.873 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -63.07 -41.47 99.45 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.267 -0.896 . . . . 0.0 110.57 -179.184 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 8.3 mp -60.06 -46.32 89.94 Favored 'General case' 0 N--CA 1.494 1.766 0 O-C-N 120.957 -1.089 . . . . 0.0 109.284 -179.677 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 90.5 mt -65.75 -41.11 89.63 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.539 0 O-C-N 121.299 -0.875 . . . . 0.0 109.539 -179.901 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . 0.401 ' C ' ' OD1' ' A' ' 12' ' ' ASP . 22.3 t0 -62.66 -49.5 74.9 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.448 -0.782 . . . . 0.0 111.142 -178.881 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 55.9 t -61.24 -41.16 88.53 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.701 0 O-C-N 121.041 -1.037 . . . . 0.0 110.36 -178.551 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . 0.416 ' CD1' ' C ' ' A' ' 14' ' ' PHE . 30.6 t80 -60.1 -52.05 67.02 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.251 -0.906 . . . . 0.0 111.729 -178.674 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 12.3 t-80 -81.84 -36.15 28.61 Favored 'General case' 0 N--CA 1.497 1.919 0 O-C-N 121.061 -1.024 . . . . 0.0 112.613 -178.081 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 66.6 tt0 -60.01 -54.44 45.96 Favored 'General case' 0 N--CA 1.494 1.739 0 O-C-N 120.87 -1.144 . . . . 0.0 113.013 -176.096 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . 0.49 ' CD1' ' O ' ' A' ' 17' ' ' TYR . 8.5 t80 -82.12 -20.79 37.34 Favored 'General case' 0 N--CA 1.501 2.081 0 O-C-N 120.707 -1.245 . . . . 0.0 112.422 -176.889 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 35.4 t -66.14 -44.77 83.25 Favored 'General case' 0 N--CA 1.497 1.914 0 O-C-N 120.753 -1.217 . . . . 0.0 113.145 -177.554 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -81.06 -11.46 83.67 Favored Glycine 0 N--CA 1.5 2.905 0 O-C-N 120.504 -1.373 . . . . 0.0 112.365 -177.283 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 28.7 mmt180 -60.58 -50.35 73.87 Favored 'General case' 0 N--CA 1.497 1.884 0 O-C-N 120.393 -1.651 . . . . 0.0 110.458 -178.858 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 85.2 tt0 -172.27 -18.47 0.01 OUTLIER 'General case' 0 N--CA 1.494 1.766 0 O-C-N 121.212 -0.93 . . . . 0.0 109.838 -179.411 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -57.07 -49.96 67.85 Favored Glycine 0 N--CA 1.491 2.335 0 N-CA-C 109.955 -1.258 . . . . 0.0 109.955 -179.39 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . 0.501 ' OD1' ' N ' ' A' ' 24' ' ' LYS . 9.4 t70 -162.78 168.52 21.32 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.133 -1.216 . . . . 0.0 109.686 -179.877 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . 0.501 ' N ' ' OD1' ' A' ' 23' ' ' ASP . 17.2 ttmm -85.18 100.07 11.5 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.08 -1.013 . . . . 0.0 110.905 -179.063 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 9.6 t60 39.4 26.82 0.02 OUTLIER 'General case' 0 N--CA 1.495 1.805 0 O-C-N 121.715 -0.616 . . . . 0.0 111.801 178.01 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . 0.438 ' N ' ' O ' ' A' ' 24' ' ' LYS . 86.2 mttt -146.0 160.93 41.18 Favored 'General case' 0 N--CA 1.502 2.126 0 O-C-N 120.728 -1.233 . . . . 0.0 108.944 178.815 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -104.4 129.98 52.31 Favored 'General case' 0 N--CA 1.501 2.095 0 O-C-N 121.245 -0.909 . . . . 0.0 109.584 -179.738 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 40.4 mmtt -124.43 161.15 26.62 Favored 'General case' 0 N--CA 1.498 1.937 0 N-CA-C 108.11 -1.07 . . . . 0.0 108.11 179.16 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.0 -24.57 2.68 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.088 -1.008 . . . . 0.0 110.278 -179.428 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 51.7 p -64.69 -42.2 95.48 Favored 'General case' 0 N--CA 1.495 1.808 0 O-C-N 120.937 -1.102 . . . . 0.0 110.953 -179.379 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 37.0 mt-10 -68.1 -35.65 78.49 Favored 'General case' 0 N--CA 1.497 1.907 0 O-C-N 120.792 -1.192 . . . . 0.0 110.66 -179.449 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 10.8 mp -59.88 -41.46 91.63 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 120.93 -1.106 . . . . 0.0 109.199 -179.144 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 86.5 tttt -59.86 -41.85 92.41 Favored 'General case' 0 C--N 1.301 -1.504 0 O-C-N 120.946 -1.096 . . . . 0.0 109.265 179.251 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . 0.445 ' OE1' ' ND2' ' A' ' 38' ' ' ASN . 1.9 mm-40 -66.23 -51.64 55.6 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.232 -0.918 . . . . 0.0 109.66 -179.927 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 70.5 mt -60.11 -46.83 88.29 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.139 -0.976 . . . . 0.0 109.306 -179.74 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.503 ' O ' ' O ' ' A' ' 40' ' ' LEU . 96.6 mt -62.69 -39.43 84.71 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.445 0 O-C-N 121.447 -0.783 . . . . 0.0 109.856 -179.852 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 59.0 t-20 -75.89 -57.34 3.94 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.105 -0.997 . . . . 0.0 111.708 -178.696 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . 0.445 ' ND2' ' OE1' ' A' ' 34' ' ' GLU . 98.6 m-20 -80.18 -69.36 0.6 Allowed 'General case' 0 N--CA 1.498 1.958 0 O-C-N 120.965 -1.084 . . . . 0.0 112.659 -177.399 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 30.5 tt0 -57.16 -84.59 0.01 OUTLIER 'General case' 0 N--CA 1.497 1.902 0 O-C-N 120.956 -1.09 . . . . 0.0 111.163 -177.129 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.503 ' O ' ' O ' ' A' ' 36' ' ' ILE . 3.8 mm? -71.55 147.85 47.26 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 120.711 -1.243 . . . . 0.0 108.838 -179.925 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 5.1 t -166.81 -18.52 0.02 OUTLIER 'General case' 0 C--N 1.299 -1.597 0 O-C-N 121.259 -0.901 . . . . 0.0 109.894 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 60.2 t-80 -75.35 -57.57 3.81 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.111 -0.993 . . . . 0.0 111.026 -179.115 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 70.8 m-85 -69.93 -42.06 73.78 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.21 -0.931 . . . . 0.0 111.275 -178.13 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 23.2 mt -121.78 132.8 54.8 Favored 'General case' 0 N--CA 1.503 2.202 0 O-C-N 121.347 -0.846 . . . . 0.0 109.485 -179.429 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 61.8 tt0 -162.2 23.12 0.11 Allowed 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.124 -0.985 . . . . 0.0 109.437 179.923 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 69.4 mm-40 -102.15 13.86 33.54 Favored 'General case' 0 N--CA 1.501 2.075 0 O-C-N 121.156 -0.965 . . . . 0.0 110.722 -179.231 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 30.3 mm -68.28 96.49 0.35 Allowed 'Isoleucine or valine' 0 N--CA 1.488 1.458 0 O-C-N 120.648 -1.282 . . . . 0.0 108.911 -179.627 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 68.6 mttm -116.67 -28.38 6.4 Favored 'General case' 0 N--CA 1.496 1.847 0 N-CA-C 109.076 -0.712 . . . . 0.0 109.076 179.821 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -129.94 150.08 51.39 Favored 'General case' 0 N--CA 1.498 1.956 0 O-C-N 121.651 -0.656 . . . . 0.0 109.957 -179.22 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . 0.473 ' N ' ' CD ' ' A' ' 50' ' ' GLN . 14.8 mp0 -69.98 -25.28 63.54 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.484 -0.76 . . . . 0.0 109.349 179.616 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 71.3 mm-40 -59.98 -40.01 87.66 Favored 'General case' 0 N--CA 1.488 1.426 0 O-C-N 121.318 -0.864 . . . . 0.0 109.408 -179.358 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 54.6 t -65.86 -40.99 89.14 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.511 0 O-C-N 121.197 -0.939 . . . . 0.0 109.023 179.643 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 60.7 t -60.85 -44.59 98.0 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.584 0 O-C-N 121.331 -0.856 . . . . 0.0 109.478 -179.629 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 12.8 t0 -60.05 -43.43 95.37 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.176 -0.953 . . . . 0.0 109.652 -179.892 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 61.0 mttp -64.29 -40.06 95.19 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.165 -0.96 . . . . 0.0 109.662 -179.702 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 54.8 t -60.65 -40.95 86.33 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.507 0 O-C-N 121.26 -0.9 . . . . 0.0 109.373 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 86.3 mtp -65.35 -40.03 93.1 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.35 -0.844 . . . . 0.0 110.058 -179.351 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 88.8 tt0 -62.81 -42.91 99.92 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.167 -0.958 . . . . 0.0 109.703 -179.562 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 94.7 m -64.35 -50.16 68.85 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.155 -0.966 . . . . 0.0 109.744 -179.645 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 61.5 tp -63.09 -49.8 73.04 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.304 -0.872 . . . . 0.0 110.124 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 96.3 m-20 -80.49 108.95 14.55 Favored 'General case' 0 C--N 1.302 -1.475 0 O-C-N 121.397 -0.814 . . . . 0.0 109.97 -178.562 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 81.1 tt0 -67.93 -40.01 83.39 Favored 'General case' 0 N--CA 1.486 1.366 0 O-C-N 121.281 -0.887 . . . . 0.0 108.646 179.034 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . 0.446 ' N ' ' OD1' ' A' ' 63' ' ' ASP . 18.3 p-10 -74.14 -50.47 19.26 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.376 -0.828 . . . . 0.0 109.383 179.51 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 82.41 53.51 3.6 Favored Glycine 0 N--CA 1.493 2.439 0 N-CA-C 110.463 -1.055 . . . . 0.0 110.463 179.5 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 39.9 p-10 -80.6 -5.65 57.15 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 120.891 -1.358 . . . . 0.0 109.2 179.626 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 73.45 18.21 79.28 Favored Glycine 0 N--CA 1.493 2.487 0 N-CA-C 110.311 -1.116 . . . . 0.0 110.311 179.197 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 93.3 mt-10 -134.97 149.15 50.17 Favored 'General case' 0 N--CA 1.499 1.999 0 O-C-N 121.256 -1.143 . . . . 0.0 108.864 -179.897 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 3.8 m -109.47 108.05 18.4 Favored 'General case' 0 N--CA 1.5 2.036 0 O-C-N 121.457 -0.777 . . . . 0.0 109.641 -179.912 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 94.3 m-20 -98.57 171.68 7.98 Favored 'General case' 0 N--CA 1.496 1.827 0 O-C-N 121.481 -0.762 . . . . 0.0 109.535 179.645 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 47.8 t80 -59.91 -40.2 88.0 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.328 -0.857 . . . . 0.0 109.195 179.266 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 63.0 tt0 -60.06 -40.75 90.54 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.246 -0.909 . . . . 0.0 109.481 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 72.3 mt-10 -70.04 -35.69 74.48 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.307 -0.871 . . . . 0.0 110.39 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 70.6 t80 -59.96 -42.08 93.3 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.108 -0.995 . . . . 0.0 109.507 -179.527 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' MET . . . . . 0.461 ' O ' ' SD ' ' A' ' 74' ' ' MET . 0.0 OUTLIER -59.97 -39.97 87.48 Favored 'General case' 0 C--N 1.301 -1.543 0 O-C-N 121.218 -0.926 . . . . 0.0 108.549 179.267 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -59.99 -37.25 79.09 Favored 'General case' 0 N--CA 1.494 1.769 0 O-C-N 121.523 -0.736 . . . . 0.0 110.722 -179.754 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 45.2 t80 -60.0 -42.34 94.05 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 120.862 -1.149 . . . . 0.0 110.013 -178.899 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 84.6 t -63.77 -41.83 93.9 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.523 0 O-C-N 121.036 -1.04 . . . . 0.0 109.859 -179.639 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 95.0 p -61.13 -40.04 92.3 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.442 -0.786 . . . . 0.0 110.137 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 32.5 ttp -59.91 -40.03 87.44 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.281 -0.887 . . . . 0.0 110.408 -178.938 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 55.2 t -60.08 -40.63 83.85 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.538 0 O-C-N 121.044 -1.035 . . . . 0.0 109.879 -178.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 31.4 p -67.07 -39.93 86.93 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.086 -1.009 . . . . 0.0 110.136 -179.541 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 36.8 p -64.33 -40.06 95.14 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.164 -0.96 . . . . 0.0 110.309 -179.559 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -79.55 -14.17 59.03 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.117 -0.99 . . . . 0.0 109.595 -179.665 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 12.7 t -57.42 156.55 7.74 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.31 -0.869 . . . . 0.0 110.047 -179.662 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 85' ' ' HIS . . . . . 0.497 ' ND1' ' H ' ' A' ' 85' ' ' HIS . 16.9 p-80 -87.96 -145.02 0.14 Allowed 'General case' 0 N--CA 1.494 1.733 0 O-C-N 121.272 -0.892 . . . . 0.0 108.969 179.58 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 53.2 tp10 -130.24 -23.87 2.64 Favored 'General case' 0 N--CA 1.502 2.171 0 O-C-N 120.866 -1.146 . . . . 0.0 110.784 -178.757 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 13.1 m-85 -80.6 68.52 6.84 Favored 'General case' 0 N--CA 1.497 1.916 0 O-C-N 120.755 -1.215 . . . . 0.0 110.471 -179.287 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 2.7 t80 . . . . . 0 N--CA 1.494 1.766 0 O-C-N 121.114 -0.991 . . . . 0.0 109.094 178.847 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 21.7 t . . . . . 0 N--CA 1.498 1.926 0 N-CA-C 108.993 -0.743 . . . . 0.0 108.993 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 81.3 mm-40 -67.96 -38.12 82.4 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.291 -0.881 . . . . 0.0 109.18 179.906 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 5.8 tp -59.95 -43.62 94.91 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.296 -0.877 . . . . 0.0 109.185 -179.698 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 40.5 tt0 -63.65 -40.0 95.76 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 121.303 -0.873 . . . . 0.0 110.185 -179.819 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 3.3 ttmp? -59.99 -41.41 91.98 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.049 -1.032 . . . . 0.0 108.805 -179.632 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -62.1 -40.02 94.45 Favored 'General case' 0 C--N 1.302 -1.463 0 O-C-N 121.365 -0.834 . . . . 0.0 109.441 179.645 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 7' ' ' MET . . . . . . . . . . . . . 92.0 mmm -60.0 -39.98 87.64 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.222 -0.924 . . . . 0.0 109.669 -179.806 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 54.5 t -67.97 -40.1 82.74 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.529 0 O-C-N 121.184 -0.947 . . . . 0.0 109.776 -179.766 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -63.02 -41.15 99.47 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.136 -0.978 . . . . 0.0 110.654 -179.391 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 8.4 mp -60.08 -46.56 89.17 Favored 'General case' 0 N--CA 1.495 1.8 0 O-C-N 120.921 -1.112 . . . . 0.0 109.175 -179.801 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 95.8 mt -65.45 -41.36 90.86 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.541 0 O-C-N 121.178 -0.951 . . . . 0.0 109.598 -179.825 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 12' ' ' ASP . . . . . 0.405 ' C ' ' OD1' ' B' ' 12' ' ' ASP . 23.0 t0 -62.48 -49.38 75.61 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.385 -0.822 . . . . 0.0 111.116 -178.747 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 53.7 t -61.42 -41.11 88.66 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.675 0 O-C-N 121.155 -0.965 . . . . 0.0 110.356 -178.45 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 14' ' ' PHE . . . . . 0.405 ' CD1' ' C ' ' B' ' 14' ' ' PHE . 29.4 t80 -59.93 -51.57 69.14 Favored 'General case' 0 N--CA 1.494 1.743 0 O-C-N 121.32 -0.863 . . . . 0.0 111.761 -178.684 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 12.8 t-80 -82.6 -36.1 26.45 Favored 'General case' 0 N--CA 1.497 1.892 0 O-C-N 121.007 -1.058 . . . . 0.0 112.58 -177.885 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 66.5 tt0 -60.01 -54.44 46.05 Favored 'General case' 0 N--CA 1.494 1.763 0 O-C-N 120.871 -1.143 . . . . 0.0 112.994 -176.252 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 17' ' ' TYR . . . . . 0.495 ' O ' ' CD1' ' B' ' 17' ' ' TYR . 8.7 t80 -82.12 -20.67 37.57 Favored 'General case' 0 N--CA 1.501 2.107 0 O-C-N 120.747 -1.221 . . . . 0.0 112.604 -176.861 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 18' ' ' SER . . . . . 0.402 ' O ' ' O ' ' B' ' 23' ' ' ASP . 38.3 t -66.37 -44.45 83.13 Favored 'General case' 0 N--CA 1.498 1.942 0 O-C-N 120.81 -1.182 . . . . 0.0 113.037 -177.61 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -80.92 -12.16 82.99 Favored Glycine 0 N--CA 1.499 2.863 0 O-C-N 120.494 -1.378 . . . . 0.0 112.472 -177.257 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 28.8 mmt180 -60.37 -50.02 75.26 Favored 'General case' 0 N--CA 1.496 1.866 0 O-C-N 120.532 -1.569 . . . . 0.0 110.469 -178.584 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 84.9 tt0 -172.6 -18.3 0.01 OUTLIER 'General case' 0 N--CA 1.494 1.764 0 O-C-N 121.138 -0.976 . . . . 0.0 109.686 -179.421 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . -57.12 -49.76 69.55 Favored Glycine 0 N--CA 1.491 2.366 0 N-CA-C 110.057 -1.217 . . . . 0.0 110.057 -179.458 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 23' ' ' ASP . . . . . 0.477 ' OD1' ' N ' ' B' ' 24' ' ' LYS . 9.5 t70 -163.24 168.12 21.05 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.123 -1.222 . . . . 0.0 109.608 -179.922 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 24' ' ' LYS . . . . . 0.477 ' N ' ' OD1' ' B' ' 23' ' ' ASP . 17.1 ttmm -84.85 99.99 11.27 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.285 -0.885 . . . . 0.0 111.046 -178.889 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 25' ' ' HIS . . . . . . . . . . . . . 9.3 t60 39.55 26.99 0.02 OUTLIER 'General case' 0 N--CA 1.495 1.796 0 O-C-N 121.744 -0.598 . . . . 0.0 111.78 177.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 26' ' ' LYS . . . . . 0.43 ' N ' ' O ' ' B' ' 24' ' ' LYS . 86.1 mttt -146.28 160.84 41.46 Favored 'General case' 0 N--CA 1.5 2.058 0 O-C-N 120.665 -1.272 . . . . 0.0 108.93 178.88 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 2.0 mm? -104.75 130.43 52.82 Favored 'General case' 0 N--CA 1.498 1.97 0 O-C-N 121.149 -0.969 . . . . 0.0 109.596 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 33.9 mmtt -124.04 161.11 26.2 Favored 'General case' 0 N--CA 1.497 1.884 0 N-CA-C 108.208 -1.034 . . . . 0.0 108.208 179.155 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -49.96 -24.64 2.69 Favored 'General case' 0 N--CA 1.493 1.675 0 O-C-N 121.096 -1.003 . . . . 0.0 110.323 -179.585 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 52.4 p -64.78 -41.8 95.56 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 120.897 -1.127 . . . . 0.0 110.987 -179.204 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 34.4 mt-10 -68.28 -35.47 77.92 Favored 'General case' 0 N--CA 1.496 1.847 0 O-C-N 121.024 -1.048 . . . . 0.0 110.636 -179.332 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 10.8 mp -59.91 -41.49 91.79 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 120.823 -1.173 . . . . 0.0 109.263 -179.202 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 86.4 tttt -59.99 -42.57 94.5 Favored 'General case' 0 C--N 1.302 -1.489 0 O-C-N 120.987 -1.07 . . . . 0.0 109.07 179.503 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 34' ' ' GLU . . . . . 0.455 ' OE1' ' ND2' ' B' ' 38' ' ' ASN . 1.9 mm-40 -65.46 -51.48 59.84 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.214 -0.928 . . . . 0.0 109.655 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 61.3 mt -60.58 -46.66 89.42 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.014 -1.054 . . . . 0.0 109.393 -179.707 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 36' ' ' ILE . . . . . 0.51 ' O ' ' O ' ' B' ' 40' ' ' LEU . 97.0 mt -62.61 -39.37 84.35 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.499 0 O-C-N 121.437 -0.79 . . . . 0.0 109.782 -179.83 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 57.4 t-20 -76.16 -57.14 4.04 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 120.941 -1.099 . . . . 0.0 111.753 -178.52 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 38' ' ' ASN . . . . . 0.455 ' ND2' ' OE1' ' B' ' 34' ' ' GLU . 98.6 m-20 -79.94 -69.41 0.59 Allowed 'General case' 0 N--CA 1.496 1.848 0 O-C-N 120.947 -1.096 . . . . 0.0 112.731 -177.699 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 31.5 tt0 -57.34 -84.5 0.01 OUTLIER 'General case' 0 N--CA 1.497 1.902 0 O-C-N 121.029 -1.045 . . . . 0.0 111.165 -176.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 40' ' ' LEU . . . . . 0.51 ' O ' ' O ' ' B' ' 36' ' ' ILE . 4.0 mm? -71.26 147.56 48.05 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 120.792 -1.193 . . . . 0.0 108.651 -179.835 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 5.5 t -166.75 -18.6 0.02 OUTLIER 'General case' 0 C--N 1.3 -1.562 0 O-C-N 121.148 -0.97 . . . . 0.0 109.923 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 42' ' ' HIS . . . . . . . . . . . . . 60.1 t-80 -75.45 -57.65 3.76 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.155 -0.966 . . . . 0.0 111.0 -178.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 72.1 m-85 -69.91 -42.16 73.72 Favored 'General case' 0 N--CA 1.494 1.749 0 O-C-N 121.226 -0.921 . . . . 0.0 111.234 -178.199 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 33.2 mt -121.53 132.5 54.74 Favored 'General case' 0 N--CA 1.504 2.227 0 O-C-N 121.424 -0.798 . . . . 0.0 109.555 -179.219 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 60.3 tt0 -162.19 23.27 0.11 Allowed 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.136 -0.977 . . . . 0.0 109.474 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 69.4 mm-40 -102.28 14.04 33.02 Favored 'General case' 0 N--CA 1.498 1.935 0 O-C-N 121.184 -0.947 . . . . 0.0 110.595 -179.339 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 29.5 mm -68.54 96.97 0.39 Allowed 'Isoleucine or valine' 0 N--CA 1.488 1.462 0 O-C-N 120.554 -1.341 . . . . 0.0 108.95 -179.662 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 68.7 mttm -117.05 -28.22 6.3 Favored 'General case' 0 N--CA 1.497 1.907 0 N-CA-C 109.007 -0.738 . . . . 0.0 109.007 179.666 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -129.97 150.05 51.42 Favored 'General case' 0 N--CA 1.498 1.934 0 O-C-N 121.588 -0.695 . . . . 0.0 109.82 -179.219 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 50' ' ' GLN . . . . . 0.491 ' N ' ' CD ' ' B' ' 50' ' ' GLN . 15.0 mp0 -69.99 -25.36 63.57 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.506 -0.747 . . . . 0.0 109.319 179.53 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 71.2 mm-40 -60.03 -40.01 87.86 Favored 'General case' 0 C--N 1.303 -1.42 0 O-C-N 121.32 -0.863 . . . . 0.0 109.272 -179.298 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 54.2 t -65.91 -40.9 88.79 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.503 0 O-C-N 121.091 -1.005 . . . . 0.0 109.114 179.566 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 67.2 t -60.96 -44.44 98.09 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.48 0 O-C-N 121.215 -0.928 . . . . 0.0 109.472 -179.656 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 54' ' ' ASP . . . . . 0.404 ' C ' ' OD1' ' B' ' 54' ' ' ASP . 12.5 t0 -60.05 -43.7 95.18 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.182 -0.949 . . . . 0.0 109.421 -179.813 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 60.6 mttp -63.96 -40.02 95.46 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.051 -1.031 . . . . 0.0 109.78 -179.694 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 54.2 t -60.66 -40.5 84.92 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.525 0 O-C-N 121.239 -0.913 . . . . 0.0 109.376 -179.898 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 57' ' ' MET . . . . . . . . . . . . . 81.5 mtp -65.64 -40.21 92.25 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.376 -0.827 . . . . 0.0 110.004 -179.328 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -62.29 -43.52 98.63 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.152 -0.967 . . . . 0.0 109.755 -179.699 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 96.7 m -63.82 -50.1 70.23 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.281 -0.887 . . . . 0.0 109.92 -179.747 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 64.1 tp -63.16 -49.72 73.23 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.357 -0.839 . . . . 0.0 110.159 179.881 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 96.1 m-20 -80.56 108.53 14.28 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.38 -0.825 . . . . 0.0 110.112 -178.454 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 82.6 tt0 -67.67 -39.94 84.5 Favored 'General case' 0 C--N 1.301 -1.508 0 N-CA-C 108.629 -0.878 . . . . 0.0 108.629 179.081 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 63' ' ' ASP . . . . . 0.458 ' N ' ' OD1' ' B' ' 63' ' ' ASP . 18.3 p-10 -74.17 -50.19 20.35 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.46 -0.775 . . . . 0.0 109.416 179.544 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 82.34 53.0 3.78 Favored Glycine 0 N--CA 1.492 2.411 0 C-N-CA 120.154 -1.022 . . . . 0.0 110.633 179.514 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 39.1 p-10 -80.34 -5.72 56.83 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 120.952 -1.322 . . . . 0.0 109.282 179.603 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 73.06 18.91 79.41 Favored Glycine 0 N--CA 1.494 2.537 0 N-CA-C 110.28 -1.128 . . . . 0.0 110.28 179.215 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 93.1 mt-10 -135.32 148.82 49.59 Favored 'General case' 0 N--CA 1.498 1.933 0 O-C-N 121.242 -1.152 . . . . 0.0 108.855 -179.852 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 68' ' ' CYS . . . . . . . . . . . . . 3.7 m -109.12 108.27 18.87 Favored 'General case' 0 N--CA 1.501 2.108 0 O-C-N 121.366 -0.834 . . . . 0.0 109.765 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 95.0 m-20 -98.69 171.76 7.9 Favored 'General case' 0 N--CA 1.496 1.827 0 O-C-N 121.453 -0.78 . . . . 0.0 109.512 179.598 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 50.6 t80 -59.92 -40.38 88.64 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.221 -0.924 . . . . 0.0 109.077 179.389 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 63.0 tt0 -59.97 -40.73 90.12 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.234 -0.916 . . . . 0.0 109.25 -179.853 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 70.7 mt-10 -70.06 -35.93 74.59 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.214 -0.929 . . . . 0.0 110.231 -179.837 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 73' ' ' PHE . . . . . . . . . . . . . 69.3 t80 -60.0 -41.77 92.82 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.026 -1.046 . . . . 0.0 109.616 -179.459 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 74' ' ' MET . . . . . 0.477 ' O ' ' SD ' ' B' ' 74' ' ' MET . 0.0 OUTLIER -60.08 -39.98 87.94 Favored 'General case' 0 C--N 1.302 -1.487 0 O-C-N 121.26 -0.9 . . . . 0.0 108.593 179.382 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -60.09 -37.2 79.24 Favored 'General case' 0 N--CA 1.494 1.751 0 O-C-N 121.613 -0.679 . . . . 0.0 110.657 -179.684 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 44.1 t80 -60.07 -42.23 94.1 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 120.878 -1.139 . . . . 0.0 109.994 -178.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 77' ' ' VAL . . . . . . . . . . . . . 90.0 t -63.83 -41.73 93.51 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.55 0 O-C-N 121.021 -1.049 . . . . 0.0 109.808 -179.537 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 78' ' ' SER . . . . . . . . . . . . . 97.3 p -61.55 -39.61 91.71 Favored 'General case' 0 N--CA 1.494 1.754 0 O-C-N 121.305 -0.872 . . . . 0.0 110.184 -179.872 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 79' ' ' MET . . . . . . . . . . . . . 32.1 ttp -60.0 -39.97 87.61 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.386 -0.822 . . . . 0.0 110.159 -178.761 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 68.9 t -60.05 -41.06 85.06 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.655 0 O-C-N 121.069 -1.019 . . . . 0.0 109.803 -179.128 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 27.9 p -66.5 -39.96 88.97 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.144 -0.973 . . . . 0.0 110.239 -179.699 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 36.4 p -64.68 -39.97 94.59 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.18 -0.95 . . . . 0.0 110.27 -179.517 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -79.27 -14.33 59.1 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.097 -1.002 . . . . 0.0 109.657 -179.696 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 84' ' ' CYS . . . . . . . . . . . . . 11.9 t -57.35 156.63 7.45 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.28 -0.888 . . . . 0.0 110.085 -179.561 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 85' ' ' HIS . . . . . 0.506 ' H ' ' ND1' ' B' ' 85' ' ' HIS . 16.1 p-80 -88.04 -145.09 0.14 Allowed 'General case' 0 N--CA 1.492 1.653 0 N-CA-C 108.865 -0.791 . . . . 0.0 108.865 179.535 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 53.2 tp10 -130.06 -24.17 2.66 Favored 'General case' 0 N--CA 1.503 2.195 0 O-C-N 120.907 -1.121 . . . . 0.0 110.712 -178.865 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 87' ' ' PHE . . . . . . . . . . . . . 12.9 m-85 -80.37 68.43 6.54 Favored 'General case' 0 N--CA 1.496 1.874 0 O-C-N 120.726 -1.234 . . . . 0.0 110.453 -179.127 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 2.8 t80 . . . . . 0 N--CA 1.495 1.78 0 O-C-N 121.119 -0.988 . . . . 0.0 109.13 178.701 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 5.2 t . . . . . 0 N--CA 1.492 1.637 0 CA-C-O 121.423 0.63 . . . . 0.0 109.427 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 87.0 tt0 -60.54 -39.93 89.68 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.4 -0.812 . . . . 0.0 110.04 -179.88 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 4.5 tt -55.73 -51.33 67.72 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.148 -0.97 . . . . 0.0 109.19 -178.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 85.0 tt0 -59.94 -43.93 94.68 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 120.914 -1.116 . . . . 0.0 109.031 179.212 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 58.2 tttp -61.37 -39.94 92.5 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.453 -0.78 . . . . 0.0 109.761 179.63 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -59.96 -42.62 94.47 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.236 -0.915 . . . . 0.0 110.251 -178.446 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 50.8 mtm -62.37 -40.05 95.16 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 120.732 -1.23 . . . . 0.0 109.162 179.477 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 61.6 t -68.55 -40.04 81.41 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.505 0 O-C-N 121.253 -0.904 . . . . 0.0 108.671 179.642 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -62.15 -39.95 94.36 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.516 -0.74 . . . . 0.0 110.09 -179.903 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -60.03 -43.54 95.23 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.081 -1.012 . . . . 0.0 108.925 -179.195 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 96.6 mt -69.48 -40.91 80.34 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.61 0 O-C-N 121.021 -1.049 . . . . 0.0 109.548 179.783 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . 0.403 ' C ' ' OD1' ' A' ' 12' ' ' ASP . 51.6 t0 -64.86 -50.03 68.23 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.195 -0.941 . . . . 0.0 110.427 -179.56 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 54.0 t -62.28 -40.66 88.61 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.488 0 O-C-N 121.108 -0.995 . . . . 0.0 109.776 -178.908 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . 0.414 ' O ' ' OG ' ' A' ' 18' ' ' SER . 64.6 t80 -60.05 -42.92 95.49 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.202 -0.936 . . . . 0.0 110.124 -179.655 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 2.3 t60 -60.04 -50.01 75.39 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.122 -0.986 . . . . 0.0 110.484 -178.931 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 27.9 mt-30 -67.16 -40.09 86.58 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 120.963 -1.086 . . . . 0.0 108.975 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 27.1 t80 -69.04 -32.54 72.11 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.448 -0.782 . . . . 0.0 109.664 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' SER . . . . . 0.414 ' OG ' ' O ' ' A' ' 14' ' ' PHE . 52.8 m -60.0 -46.24 90.13 Favored 'General case' 0 C--N 1.3 -1.573 0 O-C-N 120.5 -1.375 . . . . 0.0 109.891 -179.582 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -83.59 20.28 12.08 Favored Glycine 0 N--CA 1.497 2.743 0 O-C-N 121.288 -0.883 . . . . 0.0 111.775 -179.106 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.01 -39.94 87.53 Favored 'General case' 0 N--CA 1.499 2.01 0 O-C-N 120.388 -1.654 . . . . 0.0 110.189 -178.898 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 6.6 tt0 -120.11 -158.6 0.75 Allowed 'General case' 0 N--CA 1.504 2.258 0 O-C-N 121.205 -0.934 . . . . 0.0 109.892 -179.245 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -60.03 -39.55 95.85 Favored Glycine 0 N--CA 1.493 2.439 0 N-CA-C 110.85 -0.9 . . . . 0.0 110.85 -179.032 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . 0.516 ' N ' ' OD1' ' A' ' 23' ' ' ASP . 18.2 p-10 -54.12 138.49 37.78 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 120.951 -1.323 . . . . 0.0 110.013 -179.174 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 87.1 tttt -89.96 -80.0 0.33 Allowed 'General case' 0 N--CA 1.495 1.818 0 O-C-N 121.647 -0.658 . . . . 0.0 111.446 -178.93 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 17.7 p80 -105.6 26.22 9.79 Favored 'General case' 0 N--CA 1.502 2.138 0 O-C-N 121.453 -0.779 . . . . 0.0 110.812 -178.183 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 15.7 ptmt -136.87 153.72 50.68 Favored 'General case' 0 N--CA 1.498 1.941 0 N-CA-C 108.16 -1.052 . . . . 0.0 108.16 179.094 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 83.6 mt -104.18 136.73 43.24 Favored 'General case' 0 N--CA 1.498 1.97 0 O-C-N 121.175 -0.953 . . . . 0.0 110.19 -178.469 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 31.6 ttmt -92.84 163.45 13.71 Favored 'General case' 0 N--CA 1.492 1.634 0 N-CA-C 108.661 -0.866 . . . . 0.0 108.661 179.747 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 66.9 mttm -59.96 -41.49 92.04 Favored 'General case' 0 C--N 1.302 -1.483 0 O-C-N 120.966 -1.084 . . . . 0.0 109.838 -179.422 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 69.1 m -60.88 -40.59 93.58 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.237 -0.914 . . . . 0.0 110.739 -179.28 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . 0.432 ' OE1' ' OD2' ' A' ' 23' ' ' ASP . 97.8 mt-10 -60.06 -40.08 88.26 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.084 -1.01 . . . . 0.0 110.274 -179.589 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 41.0 tp -59.92 -48.61 81.01 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 120.981 -1.074 . . . . 0.0 108.476 -179.447 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -59.96 -43.37 95.09 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.256 -0.902 . . . . 0.0 109.393 179.623 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 80.6 tt0 -63.27 -40.03 96.25 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.326 -0.859 . . . . 0.0 109.757 -179.613 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 28.3 tp -60.02 -43.2 95.43 Favored 'General case' 0 N--CA 1.489 1.501 0 N-CA-C 108.461 -0.94 . . . . 0.0 108.461 -179.601 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 94.7 mt -62.04 -44.69 99.3 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.554 0 O-C-N 121.319 -0.863 . . . . 0.0 109.64 179.603 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . 0.408 ' O ' ' C ' ' A' ' 38' ' ' ASN . 26.1 m120 -60.04 -40.07 88.11 Favored 'General case' 0 N--CA 1.495 1.776 0 O-C-N 121.403 -0.811 . . . . 0.0 111.257 -179.098 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . 0.408 ' C ' ' O ' ' A' ' 37' ' ' ASN . 18.9 m120 -41.86 -81.66 0.01 OUTLIER 'General case' 0 N--CA 1.498 1.96 0 O-C-N 121.21 -0.931 . . . . 0.0 110.766 -178.403 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 89.8 mt-10 -143.97 -1.28 0.98 Allowed 'General case' 0 N--CA 1.499 1.988 0 O-C-N 120.97 -1.081 . . . . 0.0 110.039 -179.666 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 10.5 mp -85.65 -6.63 59.12 Favored 'General case' 0 N--CA 1.494 1.755 0 O-C-N 120.976 -1.078 . . . . 0.0 108.992 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' SER . . . . . 0.447 ' O ' ' O ' ' A' ' 44' ' ' LEU . 77.8 p -66.85 -40.0 87.76 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.201 -0.937 . . . . 0.0 109.415 179.478 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 68.3 m80 -62.22 -40.35 95.84 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.035 -1.041 . . . . 0.0 109.804 -179.777 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 29.9 t80 -70.0 -39.9 75.6 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.214 -0.929 . . . . 0.0 109.977 -179.628 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.447 ' O ' ' O ' ' A' ' 41' ' ' SER . 31.4 mt -99.5 132.73 44.64 Favored 'General case' 0 N--CA 1.499 1.982 0 O-C-N 121.258 -0.901 . . . . 0.0 110.17 -179.084 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . 0.421 ' HG2' ' H ' ' A' ' 46' ' ' GLU . 45.0 tt0 -89.53 -137.18 0.12 Allowed 'General case' 0 N--CA 1.491 1.593 0 N-CA-C 108.401 -0.963 . . . . 0.0 108.401 179.363 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . 0.421 ' H ' ' HG2' ' A' ' 45' ' ' GLU . 97.9 mt-10 46.05 -137.33 0.64 Allowed 'General case' 0 N--CA 1.493 1.706 0 O-C-N 120.957 -1.09 . . . . 0.0 109.967 179.279 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . 0.407 ' C ' ' O ' ' A' ' 46' ' ' GLU . 23.8 mm 41.01 60.02 0.2 Allowed 'Isoleucine or valine' 0 N--CA 1.498 1.93 0 O-C-N 121.451 -0.78 . . . . 0.0 110.187 -179.672 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . 0.437 ' CB ' ' HZ1' ' A' ' 48' ' ' LYS . 9.8 mtpm? -102.47 -18.73 15.2 Favored 'General case' 0 N--CA 1.496 1.867 0 O-C-N 121.171 -0.956 . . . . 0.0 110.533 -179.808 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 74.1 mt-10 -137.76 159.13 42.83 Favored 'General case' 0 N--CA 1.503 2.186 0 O-C-N 121.048 -1.032 . . . . 0.0 110.819 -178.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 35.8 mt-30 -66.58 -40.02 88.72 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.751 -0.593 . . . . 0.0 110.284 -179.88 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 63.4 mm-40 -60.0 -39.42 85.71 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.43 -0.794 . . . . 0.0 110.036 -179.575 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 53.1 t -59.95 -40.04 81.86 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.594 0 O-C-N 121.273 -0.892 . . . . 0.0 110.248 -178.322 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 58.2 t -60.68 -42.98 93.94 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.526 0 O-C-N 120.734 -1.229 . . . . 0.0 109.998 -179.71 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 98.4 m-20 -65.47 -41.7 93.04 Favored 'General case' 0 N--CA 1.495 1.811 0 O-C-N 120.944 -1.097 . . . . 0.0 110.849 -179.081 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 1.4 mptm? -69.35 -40.0 77.78 Favored 'General case' 0 N--CA 1.494 1.767 0 O-C-N 121.039 -1.038 . . . . 0.0 110.302 -179.44 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 53.8 t -59.95 -42.61 90.04 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.617 0 O-C-N 121.127 -0.983 . . . . 0.0 110.864 -178.002 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 96.6 mtp -60.07 -42.44 94.56 Favored 'General case' 0 C--N 1.3 -1.562 0 O-C-N 120.861 -1.149 . . . . 0.0 110.357 -178.663 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 47.3 tt0 -63.96 -45.32 89.65 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 120.756 -1.215 . . . . 0.0 110.371 -179.524 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 94.2 m -69.38 -45.81 68.41 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 120.92 -1.113 . . . . 0.0 110.164 -179.34 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 3.8 tp -70.27 -35.93 74.09 Favored 'General case' 0 C--N 1.3 -1.564 0 O-C-N 121.304 -0.873 . . . . 0.0 110.33 -178.904 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . 0.435 ' OD1' ' OD1' ' A' ' 63' ' ' ASP . 56.6 t0 -69.57 120.59 15.59 Favored 'General case' 0 N--CA 1.495 1.793 0 O-C-N 121.106 -0.996 . . . . 0.0 109.572 -179.268 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 76.6 mm-40 -67.75 -40.02 84.13 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.454 -0.779 . . . . 0.0 110.389 -179.357 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . 0.435 ' OD1' ' OD1' ' A' ' 61' ' ' ASP . 9.9 p-10 -95.6 -16.63 21.97 Favored 'General case' 0 N--CA 1.499 2.011 0 O-C-N 120.914 -1.116 . . . . 0.0 110.615 -179.298 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . 0.417 ' H ' ' CG ' ' A' ' 61' ' ' ASP . . . 46.91 57.3 6.96 Favored Glycine 0 N--CA 1.493 2.479 0 N-CA-C 109.791 -1.324 . . . . 0.0 109.791 179.63 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . 0.448 ' OD1' ' O ' ' A' ' 67' ' ' GLU . 34.6 p-10 -89.96 -0.84 57.8 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.167 -1.196 . . . . 0.0 109.734 -179.697 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 89.01 -8.7 79.22 Favored Glycine 0 N--CA 1.494 2.566 0 N-CA-C 109.517 -1.433 . . . . 0.0 109.517 179.796 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . 0.448 ' O ' ' OD1' ' A' ' 65' ' ' ASP . 31.3 mp0 -132.79 139.48 47.55 Favored 'General case' 0 N--CA 1.496 1.845 0 O-C-N 121.434 -1.039 . . . . 0.0 108.509 179.758 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 10.8 t -92.77 112.57 24.57 Favored 'General case' 0 N--CA 1.494 1.761 0 O-C-N 120.906 -1.122 . . . . 0.0 109.093 179.645 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 92.3 m-20 -88.24 169.66 11.67 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.467 -0.771 . . . . 0.0 109.283 -179.769 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 52.6 t80 -59.96 -42.42 94.06 Favored 'General case' 0 N--CA 1.487 1.418 0 O-C-N 121.186 -0.946 . . . . 0.0 108.696 -179.738 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 60.0 tt0 -59.95 -43.93 94.71 Favored 'General case' 0 N--CA 1.489 1.488 0 N-CA-C 108.284 -1.006 . . . . 0.0 108.284 179.047 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . 0.43 ' OE2' ' OD2' ' A' ' 63' ' ' ASP . 67.7 mt-10 -66.76 -39.76 88.0 Favored 'General case' 0 N--CA 1.489 1.49 0 N-CA-C 108.584 -0.895 . . . . 0.0 108.584 179.267 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 64.2 t80 -60.11 -38.98 84.62 Favored 'General case' 0 N--CA 1.487 1.378 0 N-CA-C 108.426 -0.953 . . . . 0.0 108.426 179.816 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -59.94 -39.95 87.3 Favored 'General case' 0 N--CA 1.488 1.43 0 N-CA-C 108.05 -1.093 . . . . 0.0 108.05 179.765 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -61.51 -36.9 81.82 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.325 -0.859 . . . . 0.0 108.935 178.725 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 27.4 t80 -60.04 -49.15 78.78 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.688 -0.633 . . . . 0.0 109.965 -179.038 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 58.4 t -69.8 -41.63 79.86 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.616 0 O-C-N 120.906 -1.122 . . . . 0.0 110.386 -179.206 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 47.5 t -63.14 -50.64 69.63 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 120.986 -1.071 . . . . 0.0 110.89 -178.841 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 22.5 ttt -61.18 -42.21 98.17 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 120.957 -1.089 . . . . 0.0 109.947 -179.306 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 42.7 t -65.96 -49.11 79.12 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.587 0 O-C-N 121.312 -0.867 . . . . 0.0 110.17 -179.846 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' THR . . . . . 0.5 ' O ' ' SG ' ' A' ' 84' ' ' CYS . 93.8 m -67.14 -46.69 73.32 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.144 -0.972 . . . . 0.0 110.263 -179.136 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 94.4 m -64.51 -39.92 94.68 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.287 -0.883 . . . . 0.0 109.807 -179.741 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . 0.542 ' O ' ' ND1' ' A' ' 85' ' ' HIS . . . -57.69 -22.23 44.92 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.374 -0.829 . . . . 0.0 110.992 -178.872 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 84' ' ' CYS . . . . . 0.567 ' O ' ' CG ' ' A' ' 85' ' ' HIS . 12.8 p -71.51 -41.83 68.76 Favored 'General case' 0 N--CA 1.494 1.746 0 O-C-N 120.816 -1.177 . . . . 0.0 109.878 -179.696 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 85' ' ' HIS . . . . . 0.567 ' CG ' ' O ' ' A' ' 84' ' ' CYS . 41.4 p-80 44.73 -176.26 0.01 OUTLIER 'General case' 0 N--CA 1.499 2.019 0 CA-C-O 121.498 0.666 . . . . 0.0 110.621 -179.561 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . 0.451 ' O ' ' O ' ' A' ' 85' ' ' HIS . 49.8 mm-40 43.27 -168.29 0.01 OUTLIER 'General case' 0 N--CA 1.496 1.837 0 O-C-N 121.447 -0.783 . . . . 0.0 110.171 -179.627 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 7.4 m-85 -99.97 129.82 46.07 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.433 -0.792 . . . . 0.0 109.157 -179.825 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 46.5 t80 . . . . . 0 N--CA 1.493 1.705 0 O-C-N 121.073 -1.017 . . . . 0.0 109.122 179.814 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 6.6 t . . . . . 0 N--CA 1.493 1.676 0 N-CA-C 109.347 -0.612 . . . . 0.0 109.347 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 87.5 tt0 -60.52 -39.94 89.68 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.425 -0.797 . . . . 0.0 110.046 -179.912 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 4.4 tt -55.49 -51.94 65.33 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.113 -0.992 . . . . 0.0 109.164 -179.1 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 85.8 tt0 -59.96 -43.65 94.92 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.016 -1.053 . . . . 0.0 108.953 179.512 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 59.4 tttp -61.37 -39.96 92.56 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.378 -0.827 . . . . 0.0 109.755 179.438 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -60.0 -42.12 93.56 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.221 -0.925 . . . . 0.0 110.307 -178.413 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 7' ' ' MET . . . . . . . . . . . . . 47.4 mtm -62.81 -40.11 96.37 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 120.777 -1.202 . . . . 0.0 109.097 179.678 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 56.2 t -68.32 -40.01 81.84 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.507 0 O-C-N 121.21 -0.931 . . . . 0.0 108.727 179.571 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.92 -39.98 93.91 Favored 'General case' 0 C--N 1.303 -1.434 0 O-C-N 121.576 -0.702 . . . . 0.0 110.21 179.888 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -60.05 -44.23 94.84 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.164 -0.96 . . . . 0.0 108.784 -179.018 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 96.5 mt -68.79 -41.21 82.21 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.553 0 O-C-N 121.16 -0.962 . . . . 0.0 109.705 179.894 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 12' ' ' ASP . . . . . 0.418 ' C ' ' OD1' ' B' ' 12' ' ' ASP . 51.4 t0 -64.94 -50.02 68.08 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.23 -0.919 . . . . 0.0 110.379 -179.458 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 53.5 t -62.07 -40.77 88.63 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.505 0 O-C-N 121.14 -0.975 . . . . 0.0 109.72 -179.002 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 14' ' ' PHE . . . . . 0.433 ' O ' ' OG ' ' B' ' 18' ' ' SER . 64.7 t80 -60.01 -43.18 95.4 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.219 -0.926 . . . . 0.0 110.166 -179.642 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 2.4 t60 -59.95 -50.03 75.36 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.046 -1.034 . . . . 0.0 110.459 -178.912 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 27.2 mt-30 -67.11 -39.96 86.79 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 120.843 -1.16 . . . . 0.0 108.869 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 27.1 t80 -69.06 -32.51 72.03 Favored 'General case' 0 N--CA 1.488 1.445 0 O-C-N 121.526 -0.734 . . . . 0.0 109.72 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 18' ' ' SER . . . . . 0.433 ' OG ' ' O ' ' B' ' 14' ' ' PHE . 48.3 m -60.18 -46.2 90.5 Favored 'General case' 0 C--N 1.3 -1.566 0 O-C-N 120.459 -1.4 . . . . 0.0 109.746 -179.555 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -83.43 20.31 11.47 Favored Glycine 0 N--CA 1.497 2.766 0 O-C-N 121.312 -0.867 . . . . 0.0 111.824 -179.068 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.03 -40.04 87.99 Favored 'General case' 0 N--CA 1.5 2.037 0 O-C-N 120.411 -1.641 . . . . 0.0 110.18 -178.965 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 6.4 tt0 -120.02 -158.67 0.75 Allowed 'General case' 0 N--CA 1.505 2.297 0 O-C-N 121.34 -0.85 . . . . 0.0 109.844 -179.267 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . -59.96 -39.72 95.98 Favored Glycine 0 N--CA 1.492 2.374 0 N-CA-C 110.848 -0.901 . . . . 0.0 110.848 -179.048 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 23' ' ' ASP . . . . . 0.533 ' OD1' ' N ' ' B' ' 23' ' ' ASP . 18.1 p-10 -53.91 138.84 35.59 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 120.923 -1.34 . . . . 0.0 109.962 -179.113 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 87.3 tttt -90.21 -80.04 0.33 Allowed 'General case' 0 N--CA 1.495 1.818 0 O-C-N 121.682 -0.636 . . . . 0.0 111.386 -178.91 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 25' ' ' HIS . . . . . . . . . . . . . 18.1 p80 -105.58 25.91 10.17 Favored 'General case' 0 N--CA 1.502 2.156 0 O-C-N 121.371 -0.83 . . . . 0.0 110.833 -178.092 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 16.1 ptmt -136.64 153.38 50.94 Favored 'General case' 0 N--CA 1.497 1.882 0 N-CA-C 108.195 -1.039 . . . . 0.0 108.195 179.183 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 82.8 mt -103.91 136.92 42.66 Favored 'General case' 0 N--CA 1.499 1.985 0 O-C-N 121.225 -0.922 . . . . 0.0 110.176 -178.462 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 31.7 ttmt -92.92 163.35 13.71 Favored 'General case' 0 N--CA 1.491 1.592 0 N-CA-C 108.666 -0.865 . . . . 0.0 108.666 179.775 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 66.7 mttm -60.04 -41.32 92.0 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.024 -1.047 . . . . 0.0 109.832 -179.598 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 72.0 m -60.88 -40.52 93.34 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.25 -0.906 . . . . 0.0 110.726 -179.299 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 31' ' ' GLU . . . . . 0.428 ' OE1' ' OD2' ' B' ' 23' ' ' ASP . 97.6 mt-10 -60.16 -39.96 88.25 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.097 -1.002 . . . . 0.0 110.337 -179.604 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 42.7 tp -59.97 -48.51 81.4 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.029 -1.045 . . . . 0.0 108.606 -179.576 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 33' ' ' LYS . . . . . 0.401 ' HZ3' ' HG2' ' B' ' 50' ' ' GLN . 87.9 tttt -60.08 -43.43 95.51 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.256 -0.903 . . . . 0.0 109.403 179.673 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 85.1 tt0 -63.24 -39.93 96.01 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.323 -0.861 . . . . 0.0 109.833 -179.701 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 27.6 tp -60.08 -43.26 95.63 Favored 'General case' 0 N--CA 1.489 1.523 0 N-CA-C 108.462 -0.94 . . . . 0.0 108.462 -179.769 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 89.8 mt -61.98 -44.62 99.17 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.572 0 O-C-N 121.354 -0.841 . . . . 0.0 109.559 179.713 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 37' ' ' ASN . . . . . 0.414 ' O ' ' C ' ' B' ' 38' ' ' ASN . 25.7 m120 -60.06 -39.93 87.71 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 121.519 -0.738 . . . . 0.0 111.325 -179.053 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 38' ' ' ASN . . . . . 0.414 ' C ' ' O ' ' B' ' 37' ' ' ASN . 18.1 m120 -41.96 -81.62 0.01 OUTLIER 'General case' 0 N--CA 1.496 1.842 0 O-C-N 121.212 -0.93 . . . . 0.0 110.828 -178.535 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 89.0 mt-10 -144.13 -1.19 0.96 Allowed 'General case' 0 N--CA 1.499 1.986 0 O-C-N 120.949 -1.094 . . . . 0.0 110.103 -179.737 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 10.3 mp -85.7 -6.76 59.09 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.028 -1.045 . . . . 0.0 108.986 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 41' ' ' SER . . . . . 0.447 ' O ' ' O ' ' B' ' 44' ' ' LEU . 77.3 p -66.78 -40.07 88.04 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.143 -0.973 . . . . 0.0 109.37 179.504 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 42' ' ' HIS . . . . . . . . . . . . . 68.1 m80 -62.06 -40.5 96.01 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.064 -1.023 . . . . 0.0 109.808 -179.709 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 30.5 t80 -70.03 -39.94 75.47 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.158 -0.964 . . . . 0.0 109.978 -179.608 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 44' ' ' LEU . . . . . 0.447 ' O ' ' O ' ' B' ' 41' ' ' SER . 33.3 mt -99.56 132.66 44.75 Favored 'General case' 0 N--CA 1.499 2.013 0 O-C-N 121.205 -0.935 . . . . 0.0 110.189 -179.148 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 45' ' ' GLU . . . . . 0.402 ' HG2' ' H ' ' B' ' 46' ' ' GLU . 44.4 tt0 -89.3 -137.02 0.12 Allowed 'General case' 0 N--CA 1.491 1.596 0 N-CA-C 108.553 -0.906 . . . . 0.0 108.553 179.479 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 46' ' ' GLU . . . . . 0.408 ' O ' ' C ' ' B' ' 47' ' ' ILE . 97.6 mt-10 45.71 -136.97 0.62 Allowed 'General case' 0 N--CA 1.494 1.731 0 O-C-N 121.102 -0.999 . . . . 0.0 110.063 179.29 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 47' ' ' ILE . . . . . 0.408 ' C ' ' O ' ' B' ' 46' ' ' GLU . 23.5 mm 40.96 59.94 0.2 Allowed 'Isoleucine or valine' 0 N--CA 1.499 1.995 0 O-C-N 121.487 -0.758 . . . . 0.0 110.124 -179.732 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 10.0 mtpm? -102.44 -18.67 15.25 Favored 'General case' 0 N--CA 1.496 1.864 0 O-C-N 121.204 -0.935 . . . . 0.0 110.505 -179.684 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 75.4 mt-10 -137.82 159.45 41.95 Favored 'General case' 0 N--CA 1.503 2.221 0 O-C-N 120.997 -1.065 . . . . 0.0 110.779 -179.102 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 50' ' ' GLN . . . . . 0.401 ' HG2' ' HZ3' ' B' ' 33' ' ' LYS . 35.8 mt-30 -66.71 -40.01 88.27 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.687 -0.633 . . . . 0.0 110.324 -179.78 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 63.6 mm-40 -59.98 -39.51 85.93 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.271 -0.893 . . . . 0.0 110.047 -179.628 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 54.2 t -59.98 -40.11 82.11 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.627 0 O-C-N 121.28 -0.887 . . . . 0.0 110.239 -178.217 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 53.4 t -60.8 -42.89 94.06 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.532 0 O-C-N 120.729 -1.232 . . . . 0.0 110.038 -179.745 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 98.4 m-20 -65.33 -41.74 93.63 Favored 'General case' 0 N--CA 1.496 1.845 0 O-C-N 120.972 -1.08 . . . . 0.0 110.864 -179.145 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 1.4 mptm? -69.34 -39.94 77.86 Favored 'General case' 0 N--CA 1.495 1.779 0 O-C-N 121.024 -1.047 . . . . 0.0 110.31 -179.437 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 53.7 t -60.07 -42.64 90.59 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.646 0 O-C-N 121.154 -0.966 . . . . 0.0 110.767 -177.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 57' ' ' MET . . . . . . . . . . . . . 96.8 mtp -60.08 -42.25 94.21 Favored 'General case' 0 C--N 1.301 -1.511 0 O-C-N 120.902 -1.124 . . . . 0.0 110.316 -178.598 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 46.6 tt0 -64.14 -45.4 88.67 Favored 'General case' 0 N--CA 1.493 1.675 0 O-C-N 120.758 -1.214 . . . . 0.0 110.311 -179.562 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 94.2 m -69.14 -46.09 68.47 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.053 -1.03 . . . . 0.0 110.142 -179.364 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 3.7 tp -69.92 -36.35 75.29 Favored 'General case' 0 C--N 1.3 -1.546 0 O-C-N 121.322 -0.861 . . . . 0.0 110.297 -178.894 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 61' ' ' ASP . . . . . 0.431 ' OD1' ' OD1' ' B' ' 63' ' ' ASP . 57.0 t0 -69.36 120.49 15.25 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 120.979 -1.075 . . . . 0.0 109.67 -179.132 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 76.7 mm-40 -67.69 -39.98 84.38 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.474 -0.766 . . . . 0.0 110.407 -179.326 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 63' ' ' ASP . . . . . 0.431 ' OD1' ' OD1' ' B' ' 61' ' ' ASP . 10.0 p-10 -95.67 -16.56 21.94 Favored 'General case' 0 N--CA 1.5 2.025 0 O-C-N 120.996 -1.065 . . . . 0.0 110.547 -179.168 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 64' ' ' GLY . . . . . 0.419 ' H ' ' CG ' ' B' ' 61' ' ' ASP . . . 46.86 57.28 6.94 Favored Glycine 0 N--CA 1.494 2.528 0 N-CA-C 109.835 -1.306 . . . . 0.0 109.835 179.649 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 65' ' ' ASP . . . . . 0.446 ' OD1' ' O ' ' B' ' 67' ' ' GLU . 34.6 p-10 -89.99 -0.72 57.73 Favored 'General case' 0 N--CA 1.496 1.827 0 O-C-N 121.23 -1.159 . . . . 0.0 109.723 -179.71 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 88.96 -9.07 78.16 Favored Glycine 0 N--CA 1.495 2.61 0 N-CA-C 109.532 -1.427 . . . . 0.0 109.532 179.774 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 67' ' ' GLU . . . . . 0.446 ' O ' ' OD1' ' B' ' 65' ' ' ASP . 31.3 mp0 -132.46 139.64 48.07 Favored 'General case' 0 N--CA 1.496 1.861 0 O-C-N 121.531 -0.981 . . . . 0.0 108.504 179.889 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 68' ' ' CYS . . . . . . . . . . . . . 11.2 t -92.85 112.63 24.66 Favored 'General case' 0 N--CA 1.495 1.797 0 O-C-N 120.893 -1.129 . . . . 0.0 109.05 179.632 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 92.8 m-20 -88.24 169.27 12.02 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.472 -0.767 . . . . 0.0 109.274 -179.747 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 51.3 t80 -60.03 -42.29 94.08 Favored 'General case' 0 N--CA 1.487 1.383 0 O-C-N 121.203 -0.935 . . . . 0.0 108.57 -179.691 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 59.8 tt0 -59.99 -43.77 94.94 Favored 'General case' 0 N--CA 1.49 1.534 0 N-CA-C 108.29 -1.004 . . . . 0.0 108.29 178.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 72' ' ' GLU . . . . . 0.426 ' OE2' ' OD2' ' B' ' 63' ' ' ASP . 69.0 mt-10 -66.77 -39.89 88.02 Favored 'General case' 0 N--CA 1.488 1.463 0 N-CA-C 108.608 -0.886 . . . . 0.0 108.608 179.175 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 73' ' ' PHE . . . . . . . . . . . . . 64.1 t80 -59.91 -38.99 83.9 Favored 'General case' 0 N--CA 1.487 1.395 0 N-CA-C 108.396 -0.964 . . . . 0.0 108.396 179.836 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 74' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -60.0 -40.03 87.8 Favored 'General case' 0 C--N 1.303 -1.438 0 N-CA-C 108.033 -1.099 . . . . 0.0 108.033 179.749 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -61.45 -37.03 82.06 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.383 -0.823 . . . . 0.0 109.022 178.748 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 28.2 t80 -60.03 -49.04 79.22 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.511 -0.743 . . . . 0.0 110.044 -179.047 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 77' ' ' VAL . . . . . . . . . . . . . 62.6 t -69.65 -41.63 80.22 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.613 0 O-C-N 120.974 -1.079 . . . . 0.0 110.421 -179.319 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 78' ' ' SER . . . . . . . . . . . . . 48.3 t -63.42 -50.58 69.23 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 120.963 -1.086 . . . . 0.0 110.936 -178.858 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 79' ' ' MET . . . . . . . . . . . . . 22.4 ttt -61.01 -42.33 98.25 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 120.997 -1.064 . . . . 0.0 109.886 -179.399 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 42.6 t -65.94 -48.91 80.23 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.642 0 O-C-N 121.41 -0.806 . . . . 0.0 110.123 -179.768 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 81' ' ' THR . . . . . 0.507 ' O ' ' SG ' ' B' ' 84' ' ' CYS . 93.8 m -67.44 -46.71 72.29 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.109 -0.994 . . . . 0.0 110.115 -178.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 94.4 m -64.44 -39.97 94.84 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.147 -0.97 . . . . 0.0 109.865 -179.701 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 83' ' ' ALA . . . . . 0.547 ' O ' ' ND1' ' B' ' 85' ' ' HIS . . . -57.76 -22.04 44.72 Favored 'General case' 0 N--CA 1.494 1.725 0 O-C-N 121.42 -0.8 . . . . 0.0 110.938 -178.804 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 84' ' ' CYS . . . . . 0.575 ' O ' ' CG ' ' B' ' 85' ' ' HIS . 12.6 p -71.67 -41.77 68.31 Favored 'General case' 0 N--CA 1.494 1.767 0 O-C-N 120.809 -1.182 . . . . 0.0 109.794 -179.632 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 85' ' ' HIS . . . . . 0.575 ' CG ' ' O ' ' B' ' 84' ' ' CYS . 41.6 p-80 44.6 -176.23 0.01 OUTLIER 'General case' 0 N--CA 1.498 1.956 0 CA-C-O 121.469 0.652 . . . . 0.0 110.635 -179.576 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 86' ' ' GLU . . . . . 0.442 ' O ' ' O ' ' B' ' 85' ' ' HIS . 49.9 mm-40 43.35 -168.4 0.01 OUTLIER 'General case' 0 N--CA 1.494 1.771 0 O-C-N 121.387 -0.821 . . . . 0.0 110.141 -179.631 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 87' ' ' PHE . . . . . . . . . . . . . 7.1 m-85 -99.93 129.72 46.03 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.422 -0.799 . . . . 0.0 109.218 -179.858 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 45.4 t80 . . . . . 0 N--CA 1.493 1.703 0 O-C-N 121.119 -0.988 . . . . 0.0 109.155 179.877 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 28.5 t . . . . . 0 N--CA 1.487 1.396 0 CA-C-O 121.45 0.643 . . . . 0.0 109.368 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 47.3 mt-10 -61.99 -34.98 77.17 Favored 'General case' 0 N--CA 1.49 1.555 0 N-CA-C 108.915 -0.772 . . . . 0.0 108.915 -179.93 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -60.27 -44.64 95.14 Favored 'General case' 0 N--CA 1.49 1.542 0 N-CA-C 108.11 -1.07 . . . . 0.0 108.11 179.649 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 87.5 tt0 -61.42 -40.03 92.92 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.071 -1.018 . . . . 0.0 109.25 179.289 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 57.6 mmtt -60.17 -39.15 85.42 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.346 -0.846 . . . . 0.0 109.891 179.68 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -59.86 -48.65 80.84 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.245 -0.909 . . . . 0.0 110.02 -178.599 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 95.4 mtp -65.31 -40.35 93.67 Favored 'General case' 0 C--N 1.302 -1.494 0 O-C-N 121.043 -1.036 . . . . 0.0 109.745 -179.585 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 79.2 t -68.24 -49.08 70.33 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.523 0 O-C-N 121.278 -0.889 . . . . 0.0 109.921 -179.7 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -62.39 -41.33 98.58 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.322 -0.861 . . . . 0.0 110.647 -179.267 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 8.7 tt -60.24 -40.62 90.87 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.043 -1.036 . . . . 0.0 109.346 -179.362 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 96.8 mt -67.54 -40.26 83.96 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.482 0 O-C-N 121.285 -0.885 . . . . 0.0 110.113 -179.42 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 97.4 m-20 -65.09 -40.55 94.78 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.002 -1.061 . . . . 0.0 109.727 -179.557 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 57.7 t -67.5 -42.52 87.1 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.902 0 O-C-N 120.915 -1.115 . . . . 0.0 110.43 -179.699 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 74.9 t80 -60.69 -41.66 95.59 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.082 -1.011 . . . . 0.0 109.97 -179.783 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 34.2 m170 -66.16 -38.45 88.13 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.136 -0.978 . . . . 0.0 110.105 179.653 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 63.3 tt0 -60.12 -55.56 32.4 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.104 -0.997 . . . . 0.0 110.733 -178.376 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 73.7 m-85 -71.51 -39.03 71.05 Favored 'General case' 0 C--N 1.3 -1.584 0 O-C-N 120.821 -1.175 . . . . 0.0 110.799 -179.3 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' SER . . . . . 0.451 ' O ' ' O ' ' A' ' 23' ' ' ASP . 51.7 p -71.35 -42.19 68.82 Favored 'General case' 0 N--CA 1.489 1.475 0 O-C-N 120.962 -1.086 . . . . 0.0 110.468 -178.893 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -67.85 0.92 8.9 Favored Glycine 0 N--CA 1.495 2.625 0 N-CA-C 109.967 -1.253 . . . . 0.0 109.967 -179.523 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . 0.462 ' HG2' HH11 ' A' ' 20' ' ' ARG . 7.4 ttt-85 -61.11 -39.59 90.55 Favored 'General case' 0 C--N 1.299 -1.605 0 O-C-N 121.415 -1.05 . . . . 0.0 109.679 179.64 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . 0.52 ' C ' ' H ' ' A' ' 23' ' ' ASP . 37.2 mt-10 -117.9 49.26 1.26 Allowed 'General case' 0 N--CA 1.503 2.21 0 O-C-N 121.601 -0.687 . . . . 0.0 110.655 -178.504 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 59.68 -2.06 0.42 Allowed Glycine 0 N--CA 1.488 2.157 0 C-N-CA 119.674 -1.25 . . . . 0.0 110.363 178.784 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . 0.52 ' H ' ' C ' ' A' ' 21' ' ' GLU . 77.7 m-20 -93.63 96.49 9.87 Favored 'General case' 0 N--CA 1.494 1.736 0 O-C-N 120.813 -1.404 . . . . 0.0 108.769 -179.802 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -96.2 -36.23 11.01 Favored 'General case' 0 N--CA 1.494 1.751 0 O-C-N 121.159 -0.963 . . . . 0.0 110.049 -179.506 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 76.7 m80 -99.66 1.18 43.26 Favored 'General case' 0 N--CA 1.498 1.975 0 O-C-N 121.23 -0.919 . . . . 0.0 110.601 -179.112 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -128.23 144.76 51.15 Favored 'General case' 0 N--CA 1.499 1.994 0 O-C-N 121.278 -0.889 . . . . 0.0 109.19 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.438 ' O ' ' SG ' ' A' ' 68' ' ' CYS . 44.2 tp -113.25 133.32 55.15 Favored 'General case' 0 N--CA 1.497 1.878 0 N-CA-C 108.263 -1.014 . . . . 0.0 108.263 179.856 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 40.3 tttm -96.2 152.33 18.66 Favored 'General case' 0 N--CA 1.494 1.756 0 O-C-N 121.311 -0.868 . . . . 0.0 110.369 -178.894 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.35 -40.0 89.16 Favored 'General case' 0 N--CA 1.494 1.773 0 CA-C-O 121.361 0.601 . . . . 0.0 110.352 -179.692 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 78.2 p -59.91 -39.94 87.12 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.259 -0.901 . . . . 0.0 109.571 -179.112 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 90.8 mt-10 -67.66 -30.36 69.89 Favored 'General case' 0 N--CA 1.487 1.421 0 O-C-N 121.191 -0.943 . . . . 0.0 109.954 179.741 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 3.7 tt -59.87 -50.11 75.05 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 120.947 -1.095 . . . . 0.0 109.612 -179.307 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 8.0 ttpm? -60.21 -41.3 92.71 Favored 'General case' 0 N--CA 1.497 1.878 0 O-C-N 120.437 -1.414 . . . . 0.0 110.139 -179.434 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 80.7 mm-40 -63.04 -39.82 95.87 Favored 'General case' 0 C--N 1.299 -1.628 0 O-C-N 121.048 -1.033 . . . . 0.0 109.87 179.902 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 6.3 tt -60.04 -45.86 91.43 Favored 'General case' 0 N--CA 1.488 1.447 0 O-C-N 121.281 -0.887 . . . . 0.0 109.668 -179.647 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 96.7 mt -60.36 -42.34 90.48 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.524 0 O-C-N 121.376 -0.827 . . . . 0.0 109.549 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 41.4 t30 -60.99 -39.09 88.36 Favored 'General case' 0 N--CA 1.496 1.859 0 O-C-N 121.453 -0.779 . . . . 0.0 110.145 179.492 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . 0.473 ' ND2' ' OE1' ' A' ' 39' ' ' GLU . 56.3 t30 -43.78 -90.74 0.0 OUTLIER 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.219 -0.926 . . . . 0.0 110.721 -178.807 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . 0.473 ' OE1' ' ND2' ' A' ' 38' ' ' ASN . 8.5 mp0 -144.21 43.87 1.43 Allowed 'General case' 0 N--CA 1.5 2.048 0 O-C-N 120.845 -1.159 . . . . 0.0 109.945 -179.503 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 3.4 tp -130.75 10.67 5.13 Favored 'General case' 0 N--CA 1.505 2.301 0 O-C-N 120.905 -1.122 . . . . 0.0 109.605 -179.584 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' SER . . . . . 0.476 ' O ' ' O ' ' A' ' 44' ' ' LEU . 71.0 m -70.06 -27.02 64.29 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.389 -0.819 . . . . 0.0 109.402 179.836 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 72.4 m80 -61.36 -39.72 91.67 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 120.908 -1.12 . . . . 0.0 109.583 -179.827 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 81.4 m-85 -69.79 -36.93 76.12 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.163 -0.961 . . . . 0.0 110.515 -179.396 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.476 ' O ' ' O ' ' A' ' 41' ' ' SER . 6.7 mp -105.22 138.65 41.09 Favored 'General case' 0 N--CA 1.506 2.353 0 O-C-N 121.006 -1.059 . . . . 0.0 109.833 -179.879 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 88.3 tt0 -143.16 75.51 1.48 Allowed 'General case' 0 N--CA 1.498 1.945 0 O-C-N 121.19 -0.944 . . . . 0.0 108.823 179.102 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -172.81 0.12 0.01 OUTLIER 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.139 -0.976 . . . . 0.0 109.341 -179.685 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 86.2 mt -95.7 122.23 46.99 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.063 0 O-C-N 121.295 -0.878 . . . . 0.0 110.104 -179.602 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 54.0 mttm -127.91 -63.22 1.03 Allowed 'General case' 0 N--CA 1.504 2.252 0 O-C-N 121.426 -0.796 . . . . 0.0 109.989 179.677 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 49.0 tp10 -95.43 153.68 17.57 Favored 'General case' 0 N--CA 1.495 1.817 0 O-C-N 121.728 -0.608 . . . . 0.0 109.883 -178.785 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 28.6 mp0 -60.04 -33.3 71.85 Favored 'General case' 0 N--CA 1.498 1.936 0 O-C-N 121.288 -0.883 . . . . 0.0 109.477 -179.557 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 76.2 mm-40 -59.43 -38.92 81.89 Favored 'General case' 0 C--N 1.3 -1.552 0 O-C-N 121.306 -0.871 . . . . 0.0 109.831 -179.158 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 51.4 t -60.16 -41.86 88.16 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.718 0 O-C-N 120.994 -1.066 . . . . 0.0 109.192 179.549 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 52.9 t -60.89 -41.14 87.72 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.556 0 O-C-N 121.223 -0.923 . . . . 0.0 109.596 179.369 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 67.3 t0 -60.61 -45.44 94.03 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.282 -0.886 . . . . 0.0 110.142 -179.356 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 53.5 tptt -59.82 -45.78 91.3 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.057 -1.027 . . . . 0.0 108.603 -179.496 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 54.4 t -61.74 -39.94 85.1 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.647 0 O-C-N 121.528 -0.732 . . . . 0.0 109.78 179.2 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' MET . . . . . 0.437 ' SD ' ' OD1' ' A' ' 61' ' ' ASP . 0.0 OUTLIER -59.29 -40.08 85.0 Favored 'General case' 0 C--N 1.3 -1.563 0 O-C-N 121.281 -0.887 . . . . 0.0 109.653 -178.449 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 53.0 tp10 -61.69 -44.93 95.99 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.032 -1.043 . . . . 0.0 109.594 179.653 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 94.4 m -63.68 -40.38 96.68 Favored 'General case' 0 N--CA 1.5 2.072 0 O-C-N 121.08 -1.013 . . . . 0.0 110.908 -179.042 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -67.41 -40.26 85.55 Favored 'General case' 0 N--CA 1.496 1.848 0 O-C-N 121.173 -0.955 . . . . 0.0 110.571 -178.348 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . 0.437 ' OD1' ' SD ' ' A' ' 57' ' ' MET . 1.1 m-20 -76.7 117.35 18.23 Favored 'General case' 0 C--N 1.3 -1.559 0 O-C-N 121.073 -1.017 . . . . 0.0 109.217 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 64.5 mm-40 -66.87 -40.3 87.8 Favored 'General case' 0 N--CA 1.495 1.811 0 O-C-N 121.336 -0.853 . . . . 0.0 110.579 -178.894 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . 0.44 ' OD2' ' OD2' ' A' ' 65' ' ' ASP . 28.3 p-10 -100.84 0.81 39.29 Favored 'General case' 0 N--CA 1.5 2.027 0 O-C-N 121.262 -0.899 . . . . 0.0 110.566 -179.238 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 57.2 51.5 57.16 Favored Glycine 0 N--CA 1.493 2.49 0 N-CA-C 109.929 -1.269 . . . . 0.0 109.929 179.863 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . 0.44 ' OD2' ' OD2' ' A' ' 63' ' ' ASP . 96.8 m-20 -71.92 -20.62 61.74 Favored 'General case' 0 N--CA 1.494 1.739 0 O-C-N 121.284 -1.127 . . . . 0.0 110.226 -179.79 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 89.56 -7.87 81.01 Favored Glycine 0 N--CA 1.493 2.437 0 N-CA-C 109.61 -1.396 . . . . 0.0 109.61 -179.93 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 86.1 tt0 -136.29 143.13 44.04 Favored 'General case' 0 N--CA 1.498 1.955 0 O-C-N 121.312 -1.11 . . . . 0.0 108.471 179.339 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' CYS . . . . . 0.438 ' SG ' ' O ' ' A' ' 27' ' ' LEU . 2.9 p -98.52 118.48 35.31 Favored 'General case' 0 N--CA 1.494 1.748 0 O-C-N 121.611 -0.681 . . . . 0.0 110.164 -178.89 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . 0.411 ' C ' ' OD1' ' A' ' 69' ' ' ASP . 39.0 p-10 -93.44 177.54 6.0 Favored 'General case' 0 N--CA 1.5 2.027 0 O-C-N 121.243 -0.91 . . . . 0.0 109.663 179.805 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 66.0 t80 -59.85 -41.44 91.45 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.34 -0.85 . . . . 0.0 110.244 -179.564 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 7.2 tt0 -60.17 -44.46 95.02 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 121.018 -1.051 . . . . 0.0 110.178 179.872 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -70.3 -29.83 66.67 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.219 -0.926 . . . . 0.0 109.569 179.74 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 75.4 t80 -59.76 -45.0 93.6 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.145 -0.972 . . . . 0.0 108.948 179.849 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 9.2 mmt -60.09 -40.53 89.92 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.275 -0.891 . . . . 0.0 108.983 178.76 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -60.65 -40.48 92.16 Favored 'General case' 0 C--N 1.304 -1.4 0 O-C-N 121.191 -0.943 . . . . 0.0 109.71 179.927 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 70.9 t80 -60.2 -42.38 94.97 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.369 -0.832 . . . . 0.0 110.946 -179.758 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 53.1 t -64.07 -45.94 95.19 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.592 0 O-C-N 121.054 -1.029 . . . . 0.0 108.962 -179.126 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 58.4 m -63.09 -41.03 99.31 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.348 -0.845 . . . . 0.0 110.374 -179.535 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 31.1 mmm -62.87 -40.29 97.04 Favored 'General case' 0 C--N 1.3 -1.554 0 O-C-N 120.875 -1.14 . . . . 0.0 110.126 -178.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 53.7 t -67.42 -42.51 87.35 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.75 0 O-C-N 120.974 -1.079 . . . . 0.0 110.491 179.816 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 19.4 p -64.8 -40.82 95.86 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 120.818 -1.176 . . . . 0.0 110.187 -179.318 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 82' ' ' THR . . . . . 0.413 ' HG1' ' N ' ' A' ' 83' ' ' ALA . 75.6 p -68.64 -39.81 80.56 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.276 -0.89 . . . . 0.0 109.995 -179.911 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . 0.413 ' N ' ' HG1' ' A' ' 82' ' ' THR . . . -68.52 -40.08 80.95 Favored 'General case' 0 C--N 1.301 -1.511 0 O-C-N 121.407 -0.808 . . . . 0.0 109.486 -179.451 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 17.8 t -73.36 142.29 47.04 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.338 -0.851 . . . . 0.0 108.74 179.59 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 52.6 m170 -76.51 141.07 41.38 Favored 'General case' 0 C--N 1.303 -1.44 0 O-C-N 121.443 -0.786 . . . . 0.0 110.243 -179.022 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 41.0 mt-10 -70.46 -154.73 0.02 OUTLIER 'General case' 0 C--N 1.302 -1.483 0 N-CA-C 108.795 -0.817 . . . . 0.0 108.795 179.402 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 36.4 t80 55.44 90.82 0.03 OUTLIER 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.256 -0.903 . . . . 0.0 109.765 179.772 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 47.6 t80 . . . . . 0 N--CA 1.492 1.64 0 N-CA-C 108.42 -0.955 . . . . 0.0 108.42 179.126 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' B' B ' 1' ' ' SER . . . . . 0.577 ' HG ' ' H ' ' B' ' 4' ' ' GLU . 30.3 t . . . . . 0 N--CA 1.49 1.566 0 CA-C-O 121.291 0.567 . . . . 0.0 109.615 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 46.0 mt-10 -61.58 -36.71 81.45 Favored 'General case' 0 N--CA 1.494 1.742 0 O-C-N 121.429 -0.794 . . . . 0.0 108.901 179.83 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -58.36 -46.62 85.94 Favored 'General case' 0 N--CA 1.488 1.469 0 N-CA-C 108.196 -1.038 . . . . 0.0 108.196 179.443 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 4' ' ' GLU . . . . . 0.577 ' H ' ' HG ' ' B' ' 1' ' ' SER . 87.7 tt0 -60.01 -40.21 88.46 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 120.887 -1.133 . . . . 0.0 109.672 179.081 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 57.7 mmtt -59.99 -39.07 84.49 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.22 -0.925 . . . . 0.0 109.672 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -59.94 -48.93 79.69 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.223 -0.923 . . . . 0.0 110.224 -178.731 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 7' ' ' MET . . . . . . . . . . . . . 94.0 mtp -64.71 -40.2 94.95 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 120.945 -1.097 . . . . 0.0 110.209 -179.877 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 58.0 t -68.7 -47.51 76.16 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.558 0 O-C-N 121.187 -0.946 . . . . 0.0 109.837 -179.813 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -64.38 -40.01 94.98 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.387 -0.821 . . . . 0.0 110.314 -178.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 7.6 tt -61.05 -40.81 95.06 Favored 'General case' 0 C--N 1.302 -1.459 0 O-C-N 121.116 -0.99 . . . . 0.0 109.399 -179.141 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 11' ' ' ILE . . . . . 0.406 HD11 HG22 ' B' ' 11' ' ' ILE . 96.9 mt -67.44 -40.48 84.62 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.49 0 O-C-N 121.248 -0.908 . . . . 0.0 110.45 -179.525 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 96.8 m-20 -64.38 -40.07 95.09 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.024 -1.048 . . . . 0.0 109.81 -179.764 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 61.0 t -68.35 -42.79 84.46 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.747 0 O-C-N 121.091 -1.006 . . . . 0.0 110.109 -179.738 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 14' ' ' PHE . . . . . . . . . . . . . 71.6 t80 -60.45 -42.16 95.57 Favored 'General case' 0 N--CA 1.495 1.776 0 O-C-N 120.953 -1.092 . . . . 0.0 110.025 -179.802 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 34.4 m170 -65.29 -38.79 91.31 Favored 'General case' 0 C--N 1.298 -1.653 0 O-C-N 121.287 -0.883 . . . . 0.0 110.197 179.722 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 63.5 tt0 -60.02 -56.34 22.85 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.096 -1.002 . . . . 0.0 110.722 -178.154 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 71.0 m-85 -70.19 -39.59 75.11 Favored 'General case' 0 C--N 1.297 -1.688 0 O-C-N 121.03 -1.043 . . . . 0.0 110.978 -179.678 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 18' ' ' SER . . . . . 0.464 ' O ' ' O ' ' B' ' 23' ' ' ASP . 55.8 p -71.79 -41.24 68.53 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 120.791 -1.193 . . . . 0.0 110.403 -178.819 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -67.84 -0.77 14.92 Favored Glycine 0 N--CA 1.495 2.631 0 N-CA-C 109.856 -1.298 . . . . 0.0 109.856 -179.661 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 20' ' ' ARG . . . . . 0.466 ' HG2' HH11 ' B' ' 20' ' ' ARG . 6.2 ttt-85 -60.17 -39.8 87.72 Favored 'General case' 0 C--N 1.295 -1.763 0 O-C-N 121.361 -1.082 . . . . 0.0 109.649 179.857 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 21' ' ' GLU . . . . . 0.54 ' C ' ' H ' ' B' ' 23' ' ' ASP . 37.9 mt-10 -117.54 49.58 1.2 Allowed 'General case' 0 N--CA 1.503 2.21 0 O-C-N 121.404 -0.81 . . . . 0.0 110.834 -178.67 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . 58.48 -1.1 0.31 Allowed Glycine 0 N--CA 1.489 2.168 0 C-N-CA 119.951 -1.119 . . . . 0.0 110.391 179.219 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 23' ' ' ASP . . . . . 0.54 ' H ' ' C ' ' B' ' 21' ' ' GLU . 83.5 m-20 -92.8 95.9 9.82 Favored 'General case' 0 N--CA 1.496 1.833 0 O-C-N 120.98 -1.306 . . . . 0.0 108.681 179.744 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 97.6 mttt -97.03 -35.7 10.74 Favored 'General case' 0 N--CA 1.496 1.846 0 O-C-N 120.997 -1.064 . . . . 0.0 110.32 -179.378 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 25' ' ' HIS . . . . . . . . . . . . . 77.4 m80 -99.76 0.75 42.31 Favored 'General case' 0 N--CA 1.498 1.942 0 O-C-N 121.264 -0.897 . . . . 0.0 110.177 -179.214 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -127.48 145.71 50.75 Favored 'General case' 0 N--CA 1.501 2.091 0 O-C-N 121.462 -0.774 . . . . 0.0 109.225 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 27' ' ' LEU . . . . . 0.418 ' O ' ' SG ' ' B' ' 68' ' ' CYS . 41.4 tp -115.06 134.39 55.22 Favored 'General case' 0 N--CA 1.498 1.933 0 N-CA-C 108.253 -1.017 . . . . 0.0 108.253 179.892 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 39.2 tttm -97.47 151.22 20.21 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.39 -0.819 . . . . 0.0 110.724 -178.847 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -59.81 -39.57 85.48 Favored 'General case' 0 N--CA 1.498 1.965 0 CA-C-N 116.233 -0.439 . . . . 0.0 109.965 -179.481 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 30' ' ' SER . . . . . 0.564 ' HG ' ' N ' ' B' ' 31' ' ' GLU . 89.1 p -59.83 -39.89 86.61 Favored 'General case' 0 N--CA 1.496 1.836 0 O-C-N 121.242 -0.911 . . . . 0.0 109.538 -179.538 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 31' ' ' GLU . . . . . 0.564 ' N ' ' HG ' ' B' ' 30' ' ' SER . 89.8 mt-10 -67.7 -30.9 70.52 Favored 'General case' 0 C--N 1.302 -1.495 0 O-C-N 121.192 -0.942 . . . . 0.0 109.728 179.821 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 3.5 tt -59.96 -50.4 73.89 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 120.931 -1.105 . . . . 0.0 109.693 -179.308 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 7.8 ttpm? -59.78 -41.39 91.03 Favored 'General case' 0 N--CA 1.496 1.839 0 O-C-N 120.318 -1.489 . . . . 0.0 110.025 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 80.7 mm-40 -63.09 -39.64 95.31 Favored 'General case' 0 C--N 1.299 -1.604 0 O-C-N 120.886 -1.134 . . . . 0.0 109.883 -179.889 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 5.9 tt -60.33 -45.95 91.62 Favored 'General case' 0 C--N 1.301 -1.536 0 O-C-N 121.283 -0.886 . . . . 0.0 109.3 -179.223 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 97.1 mt -60.24 -42.6 90.99 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.405 0 O-C-N 121.149 -0.97 . . . . 0.0 109.786 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 40.5 t30 -60.33 -39.69 87.95 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.466 -0.771 . . . . 0.0 109.902 -179.771 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 38' ' ' ASN . . . . . 0.537 ' ND2' ' OE1' ' B' ' 39' ' ' GLU . 55.1 t30 -42.78 -91.89 0.0 OUTLIER 'General case' 0 N--CA 1.496 1.84 0 O-C-N 121.561 -0.712 . . . . 0.0 110.638 -178.966 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 39' ' ' GLU . . . . . 0.537 ' OE1' ' ND2' ' B' ' 38' ' ' ASN . 9.1 mp0 -143.66 44.34 1.49 Allowed 'General case' 0 N--CA 1.5 2.062 0 O-C-N 120.721 -1.237 . . . . 0.0 110.033 -179.441 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 4.0 tp -130.64 10.66 5.18 Favored 'General case' 0 N--CA 1.506 2.344 0 O-C-N 121.036 -1.04 . . . . 0.0 109.36 -179.931 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 41' ' ' SER . . . . . 0.441 ' O ' ' O ' ' B' ' 44' ' ' LEU . 58.5 m -70.54 -25.55 63.16 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.04 -1.038 . . . . 0.0 109.614 -179.673 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 42' ' ' HIS . . . . . . . . . . . . . 74.0 m80 -61.57 -40.24 94.02 Favored 'General case' 0 C--N 1.302 -1.475 0 O-C-N 121.107 -0.996 . . . . 0.0 109.184 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 80.6 m-85 -69.37 -36.48 76.86 Favored 'General case' 0 N--CA 1.495 1.807 0 O-C-N 121.196 -0.94 . . . . 0.0 110.694 -179.431 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 44' ' ' LEU . . . . . 0.441 ' O ' ' O ' ' B' ' 41' ' ' SER . 6.1 mp -106.17 135.46 47.61 Favored 'General case' 0 N--CA 1.505 2.288 0 O-C-N 121.056 -1.027 . . . . 0.0 110.15 -179.613 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 88.2 tt0 -140.3 76.61 1.57 Allowed 'General case' 0 N--CA 1.498 1.932 0 O-C-N 121.155 -0.965 . . . . 0.0 108.945 178.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -173.21 -1.8 0.01 OUTLIER 'General case' 0 N--CA 1.494 1.746 0 O-C-N 121.109 -0.994 . . . . 0.0 109.638 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 95.8 mt -94.18 123.79 46.42 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.079 0 O-C-N 121.126 -0.984 . . . . 0.0 110.024 -179.43 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 53.3 mttm -129.78 -63.29 0.93 Allowed 'General case' 0 N--CA 1.502 2.145 0 O-C-N 121.337 -0.852 . . . . 0.0 109.911 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 49.8 tp10 -95.24 153.03 17.86 Favored 'General case' 0 N--CA 1.497 1.919 0 O-C-N 121.581 -0.699 . . . . 0.0 109.569 -178.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 28.5 mp0 -60.09 -32.49 71.01 Favored 'General case' 0 N--CA 1.5 2.055 0 O-C-N 120.973 -1.079 . . . . 0.0 109.82 -179.268 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 75.9 mm-40 -59.61 -39.28 83.7 Favored 'General case' 0 C--N 1.299 -1.599 0 O-C-N 121.606 -0.684 . . . . 0.0 109.292 -179.04 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 55.4 t -60.0 -41.95 87.93 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.85 0 C-N-CA 119.175 -1.01 . . . . 0.0 108.911 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 53.4 t -60.69 -41.52 88.55 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.75 0 O-C-N 121.165 -0.959 . . . . 0.0 109.229 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 67.0 t0 -59.99 -44.98 94.17 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.329 -0.857 . . . . 0.0 110.386 -179.652 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 51.9 tptt -60.09 -46.34 89.91 Favored 'General case' 0 N--CA 1.495 1.793 0 O-C-N 120.767 -1.208 . . . . 0.0 108.473 -179.859 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 53.6 t -61.51 -39.83 84.33 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.599 0 O-C-N 121.359 -0.838 . . . . 0.0 109.701 179.326 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 57' ' ' MET . . . . . 0.445 ' SD ' ' OD1' ' B' ' 61' ' ' ASP . 0.0 OUTLIER -59.3 -40.09 85.1 Favored 'General case' 0 C--N 1.3 -1.583 0 O-C-N 121.168 -0.958 . . . . 0.0 109.558 -178.252 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 53.1 tp10 -61.73 -44.65 96.5 Favored 'General case' 0 N--CA 1.488 1.465 0 O-C-N 120.785 -1.197 . . . . 0.0 109.647 179.594 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 94.1 m -63.93 -40.34 96.22 Favored 'General case' 0 N--CA 1.5 2.054 0 O-C-N 121.152 -0.967 . . . . 0.0 110.871 -178.771 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -67.6 -39.93 84.79 Favored 'General case' 0 N--CA 1.495 1.788 0 O-C-N 121.266 -0.896 . . . . 0.0 110.63 -178.879 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 61' ' ' ASP . . . . . 0.445 ' OD1' ' SD ' ' B' ' 57' ' ' MET . 1.1 m-20 -77.05 117.37 18.56 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 120.792 -1.192 . . . . 0.0 109.126 -179.709 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 65.3 mm-40 -66.41 -41.23 89.58 Favored 'General case' 0 N--CA 1.496 1.833 0 O-C-N 121.3 -0.875 . . . . 0.0 111.068 -179.103 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 63' ' ' ASP . . . . . 0.446 ' OD2' ' OD2' ' B' ' 65' ' ' ASP . 28.1 p-10 -100.12 -0.31 39.19 Favored 'General case' 0 N--CA 1.499 1.989 0 O-C-N 121.246 -0.909 . . . . 0.0 110.311 -178.947 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 59.25 50.7 65.01 Favored Glycine 0 N--CA 1.492 2.416 0 N-CA-C 109.992 -1.243 . . . . 0.0 109.992 179.523 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 65' ' ' ASP . . . . . 0.446 ' OD2' ' OD2' ' B' ' 63' ' ' ASP . 96.7 m-20 -71.08 -22.36 62.12 Favored 'General case' 0 N--CA 1.494 1.768 0 O-C-N 121.378 -1.072 . . . . 0.0 110.683 -179.535 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 90.81 -7.91 80.55 Favored Glycine 0 N--CA 1.498 2.771 0 N-CA-C 109.489 -1.444 . . . . 0.0 109.489 -179.669 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 87.1 tt0 -137.61 141.79 41.26 Favored 'General case' 0 N--CA 1.494 1.761 0 O-C-N 121.492 -1.005 . . . . 0.0 108.755 179.752 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 68' ' ' CYS . . . . . 0.418 ' SG ' ' O ' ' B' ' 27' ' ' LEU . 5.0 p -97.96 119.19 36.16 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.263 -0.898 . . . . 0.0 110.621 -178.581 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 69' ' ' ASP . . . . . 0.412 ' OD1' ' C ' ' B' ' 69' ' ' ASP . 39.8 p-10 -93.52 177.72 5.93 Favored 'General case' 0 N--CA 1.5 2.025 0 O-C-N 121.042 -1.036 . . . . 0.0 109.732 179.8 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 62.4 t80 -60.18 -41.22 92.42 Favored 'General case' 0 C--N 1.304 -1.383 0 O-C-N 121.513 -0.742 . . . . 0.0 110.1 -179.594 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 7.3 tt0 -60.24 -44.62 95.08 Favored 'General case' 0 N--CA 1.494 1.766 0 O-C-N 120.878 -1.139 . . . . 0.0 109.918 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -69.99 -29.9 67.1 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.16 -0.963 . . . . 0.0 109.704 179.707 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 73' ' ' PHE . . . . . . . . . . . . . 73.3 t80 -60.01 -44.12 94.78 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 120.98 -1.075 . . . . 0.0 109.13 179.617 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 74' ' ' MET . . . . . . . . . . . . . 8.5 mmt -60.63 -40.1 90.68 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.19 -0.944 . . . . 0.0 109.276 178.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -60.78 -40.65 93.38 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.196 -0.94 . . . . 0.0 109.655 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 66.2 t80 -59.99 -43.19 95.32 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 121.284 -0.885 . . . . 0.0 110.792 -179.659 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 77' ' ' VAL . . . . . . . . . . . . . 55.1 t -62.87 -47.22 93.89 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.461 0 O-C-N 120.849 -1.157 . . . . 0.0 108.687 -179.854 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 78' ' ' SER . . . . . . . . . . . . . 58.3 m -61.94 -41.64 98.19 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.239 -0.913 . . . . 0.0 110.692 -179.558 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 79' ' ' MET . . . . . . . . . . . . . 23.7 mmm -62.36 -39.98 94.92 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.102 -0.999 . . . . 0.0 109.95 -179.416 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 55.3 t -68.69 -42.47 83.13 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.71 0 O-C-N 120.861 -1.149 . . . . 0.0 110.59 -179.645 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 16.6 p -64.2 -42.53 96.6 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 120.693 -1.254 . . . . 0.0 109.808 -179.583 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 74.3 p -67.28 -40.35 86.14 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.324 -0.86 . . . . 0.0 109.986 -179.583 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -68.27 -40.84 81.74 Favored 'General case' 0 C--N 1.302 -1.494 0 O-C-N 121.334 -0.854 . . . . 0.0 109.605 -179.4 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 84' ' ' CYS . . . . . . . . . . . . . 9.5 t -72.59 142.62 48.4 Favored 'General case' 0 C--N 1.304 -1.407 0 N-CA-C 108.465 -0.939 . . . . 0.0 108.465 179.642 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 85' ' ' HIS . . . . . . . . . . . . . 49.9 m170 -77.17 141.94 39.88 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.201 -0.937 . . . . 0.0 109.912 -178.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 42.1 mt-10 -70.82 -153.65 0.02 OUTLIER 'General case' 0 N--CA 1.487 1.387 0 N-CA-C 108.892 -0.781 . . . . 0.0 108.892 179.348 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 87' ' ' PHE . . . . . . . . . . . . . 35.4 t80 54.77 91.55 0.03 OUTLIER 'General case' 0 N--CA 1.486 1.367 0 O-C-N 121.461 -0.775 . . . . 0.0 109.657 179.74 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 49.6 t80 . . . . . 0 N--CA 1.493 1.724 0 N-CA-C 108.298 -1.001 . . . . 0.0 108.298 179.197 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 6.2 m . . . . . 0 N--CA 1.49 1.538 0 CA-C-O 121.358 0.599 . . . . 0.0 109.697 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 75.1 mm-40 -59.9 -37.24 78.85 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.309 -0.869 . . . . 0.0 109.71 179.894 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 69.4 mt -59.97 -40.23 88.39 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.405 -0.81 . . . . 0.0 110.161 -178.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 -66.37 -40.16 89.56 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 120.88 -1.138 . . . . 0.0 110.076 -179.492 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 63.2 mttp -68.25 -38.49 81.84 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.115 -0.991 . . . . 0.0 109.667 179.289 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -59.99 -44.91 94.22 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.292 -0.88 . . . . 0.0 110.195 -178.938 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -59.99 -46.28 89.98 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 120.999 -1.063 . . . . 0.0 109.236 -179.95 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 96.5 t -67.16 -38.66 81.54 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.613 0 O-C-N 121.331 -0.856 . . . . 0.0 109.646 -179.833 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -57.08 -48.56 78.29 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.203 -0.936 . . . . 0.0 110.499 -178.669 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 9.6 mp -60.12 -45.99 91.13 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 120.868 -1.145 . . . . 0.0 109.649 -179.509 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 44.1 mm -67.19 -42.88 88.57 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.705 0 O-C-N 120.694 -1.254 . . . . 0.0 109.891 -179.903 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 7.6 t0 -60.04 -49.58 77.09 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.438 -0.789 . . . . 0.0 110.579 -179.109 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 84.1 t -69.29 -40.84 80.71 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.703 0 O-C-N 120.908 -1.12 . . . . 0.0 110.32 -179.03 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . 0.606 ' CE1' ' CE2' ' A' ' 70' ' ' PHE . 25.6 t80 -59.96 -45.37 92.87 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 121.197 -0.939 . . . . 0.0 109.79 -179.15 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 11.5 t-160 -65.16 -41.3 94.81 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.346 -0.846 . . . . 0.0 111.533 -179.128 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 5.1 tm0? -64.79 -52.91 54.33 Favored 'General case' 0 N--CA 1.495 1.814 0 O-C-N 120.937 -1.102 . . . . 0.0 110.982 -178.189 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 54.6 m-85 -70.12 -40.05 75.09 Favored 'General case' 0 N--CA 1.496 1.844 0 O-C-N 120.893 -1.129 . . . . 0.0 110.377 -179.791 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' SER . . . . . 0.525 ' C ' ' H ' ' A' ' 20' ' ' ARG . 78.9 p -67.85 -34.4 76.62 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.158 -0.964 . . . . 0.0 110.408 -179.562 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -69.63 17.82 0.64 Allowed Glycine 0 N--CA 1.493 2.493 0 N-CA-C 110.19 -1.164 . . . . 0.0 110.19 -179.501 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . 0.525 ' H ' ' C ' ' A' ' 18' ' ' SER . 11.7 tpp180 -60.11 -39.93 87.92 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.003 -1.292 . . . . 0.0 109.771 -179.53 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . 0.533 ' C ' ' H ' ' A' ' 23' ' ' ASP . 68.2 tt0 -146.29 56.86 1.18 Allowed 'General case' 0 N--CA 1.498 1.943 0 O-C-N 120.812 -1.18 . . . . 0.0 110.124 -179.518 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 61.86 -4.13 0.56 Allowed Glycine 0 N--CA 1.493 2.473 0 N-CA-C 110.046 -1.222 . . . . 0.0 110.046 179.367 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . 0.533 ' H ' ' C ' ' A' ' 21' ' ' GLU . 94.6 m-20 -83.98 63.12 7.41 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.016 -1.285 . . . . 0.0 109.227 -179.736 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 45.8 mtmt -69.93 -38.61 76.25 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.386 -0.822 . . . . 0.0 110.407 -179.617 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 40.7 t-80 -90.08 1.63 56.14 Favored 'General case' 0 N--CA 1.498 1.967 0 O-C-N 121.029 -1.044 . . . . 0.0 111.625 -178.001 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 86.7 mttt -136.84 145.0 43.92 Favored 'General case' 0 N--CA 1.503 2.196 0 O-C-N 120.765 -1.21 . . . . 0.0 111.149 -179.057 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 18.2 mt -120.19 141.79 49.58 Favored 'General case' 0 N--CA 1.497 1.904 0 N-CA-C 108.644 -0.873 . . . . 0.0 108.644 179.179 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.466 ' NZ ' ' OD2' ' A' ' 23' ' ' ASP . 37.9 mttp -98.6 165.89 11.6 Favored 'General case' 0 N--CA 1.499 2.023 0 O-C-N 121.185 -0.947 . . . . 0.0 109.963 179.946 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 13.6 pttm -60.11 -39.79 87.42 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.494 -0.754 . . . . 0.0 109.475 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 22.8 t -61.62 -40.0 93.28 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 121.255 -0.903 . . . . 0.0 109.573 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 42.1 mt-10 -60.69 -40.07 90.85 Favored 'General case' 0 N--CA 1.488 1.436 0 O-C-N 121.182 -0.949 . . . . 0.0 109.81 -179.93 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 90.2 mt -64.6 -39.98 94.7 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.059 -1.026 . . . . 0.0 109.961 -179.308 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 2.4 tmmt? -60.13 -49.82 76.11 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 120.695 -1.253 . . . . 0.0 110.295 -179.106 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 99.3 mt-10 -69.46 -39.36 77.79 Favored 'General case' 0 C--N 1.301 -1.518 0 O-C-N 121.12 -0.988 . . . . 0.0 109.673 -179.922 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.401 ' O ' ' CD ' ' A' ' 39' ' ' GLU . 59.1 tp -60.2 -48.79 80.25 Favored 'General case' 0 N--CA 1.494 1.762 0 O-C-N 121.411 -0.806 . . . . 0.0 111.446 -178.233 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.45 ' O ' ' OE1' ' A' ' 39' ' ' GLU . 1.3 mp -60.08 -40.97 84.86 Favored 'Isoleucine or valine' 0 N--CA 1.504 2.229 0 O-C-N 120.722 -1.236 . . . . 0.0 109.891 -178.406 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 67.0 m-80 -60.37 -38.55 84.25 Favored 'General case' 0 C--N 1.299 -1.624 0 O-C-N 120.624 -1.298 . . . . 0.0 109.847 -179.674 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 21.0 m120 -60.21 -40.87 91.64 Favored 'General case' 0 N--CA 1.495 1.794 0 O-C-N 121.21 -0.931 . . . . 0.0 112.684 -177.837 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . 0.499 ' OE1' ' N ' ' A' ' 39' ' ' GLU . 0.0 OUTLIER -108.38 -73.26 0.69 Allowed 'General case' 0 N--CA 1.513 2.679 0 O-C-N 120.785 -1.197 . . . . 0.0 110.545 -178.576 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.479 ' N ' ' OE1' ' A' ' 39' ' ' GLU . 3.0 mp -84.79 81.82 8.71 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.048 -1.033 . . . . 0.0 110.115 -178.479 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' SER . . . . . 0.43 ' OG ' ' N ' ' A' ' 42' ' ' HIS . 1.4 p -102.51 -52.82 3.02 Favored 'General case' 0 N--CA 1.496 1.852 0 N-CA-C 108.78 -0.822 . . . . 0.0 108.78 179.094 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' HIS . . . . . 0.43 ' N ' ' OG ' ' A' ' 41' ' ' SER . 94.0 m-70 -70.01 -36.3 75.0 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.655 -0.653 . . . . 0.0 110.256 -179.808 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 63.3 m-85 -59.9 -39.96 87.16 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 121.176 -0.952 . . . . 0.0 109.995 -179.195 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.47 ' N ' ' CD1' ' A' ' 44' ' ' LEU . 7.7 mp -100.06 14.04 32.03 Favored 'General case' 0 N--CA 1.499 1.995 0 O-C-N 121.263 -0.898 . . . . 0.0 109.294 -179.584 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . 0.444 ' O ' ' O ' ' A' ' 46' ' ' GLU . 64.6 mm-40 57.06 39.99 28.83 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.631 -0.668 . . . . 0.0 110.221 -179.699 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . 0.444 ' O ' ' O ' ' A' ' 45' ' ' GLU . 95.7 mt-10 46.34 96.34 0.01 OUTLIER 'General case' 0 N--CA 1.494 1.75 0 O-C-N 121.361 -0.837 . . . . 0.0 110.423 178.794 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 91.4 mt -60.4 120.26 5.89 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.636 0 O-C-N 120.956 -1.09 . . . . 0.0 108.804 179.336 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -101.82 -4.43 26.34 Favored 'General case' 0 N--CA 1.499 1.988 0 O-C-N 121.316 -0.865 . . . . 0.0 110.576 -179.279 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 13.6 mm-40 -111.81 131.66 55.19 Favored 'General case' 0 N--CA 1.508 2.458 0 O-C-N 121.09 -1.006 . . . . 0.0 109.356 179.409 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 4.1 mp0 -69.97 -37.09 75.67 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.398 -0.814 . . . . 0.0 109.842 179.802 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 13.4 pt-20 -59.54 -33.62 71.63 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.163 -0.961 . . . . 0.0 110.226 -179.195 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 54.4 t -60.1 -40.8 84.41 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.555 0 O-C-N 120.827 -1.171 . . . . 0.0 108.709 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 54.5 t -61.62 -41.84 91.88 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.498 0 O-C-N 121.171 -0.955 . . . . 0.0 109.174 179.221 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 7.0 t0 -63.28 -41.74 99.03 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.253 -0.904 . . . . 0.0 110.093 -179.89 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -59.9 -48.71 80.58 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.059 -1.026 . . . . 0.0 109.003 -179.832 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 54.5 t -66.07 -41.47 89.63 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.437 0 O-C-N 121.206 -0.934 . . . . 0.0 109.415 179.6 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 28.2 ttt -61.48 -40.03 93.06 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.412 -0.805 . . . . 0.0 109.43 179.776 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 13.8 tm-20 -60.15 -39.96 88.2 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.437 -0.789 . . . . 0.0 110.023 -179.626 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 94.9 m -60.17 -44.46 95.0 Favored 'General case' 0 N--CA 1.496 1.859 0 O-C-N 121.168 -0.957 . . . . 0.0 110.737 -179.186 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.473 ' CD2' ' N ' ' A' ' 60' ' ' LEU . 3.1 mm? -69.14 -40.1 78.46 Favored 'General case' 0 N--CA 1.495 1.807 0 O-C-N 121.024 -1.048 . . . . 0.0 109.929 -179.231 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 91.0 m-20 -80.99 58.03 3.3 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.245 -0.909 . . . . 0.0 109.364 179.885 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 85.4 tt0 -60.09 -32.32 70.85 Favored 'General case' 0 C--N 1.304 -1.374 0 N-CA-C 108.352 -0.981 . . . . 0.0 108.352 179.432 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . 0.425 ' OD2' ' OD2' ' A' ' 65' ' ' ASP . 29.0 p30 -77.26 -11.03 59.78 Favored 'General case' 0 N--CA 1.487 1.424 0 O-C-N 121.43 -0.794 . . . . 0.0 109.336 179.73 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 68.47 29.59 73.02 Favored Glycine 0 N--CA 1.493 2.469 0 N-CA-C 110.405 -1.078 . . . . 0.0 110.405 179.142 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . 0.425 ' OD2' ' OD2' ' A' ' 63' ' ' ASP . 98.2 m-20 -62.78 -37.25 85.93 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 120.982 -1.305 . . . . 0.0 109.429 179.503 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 95.46 -8.11 68.94 Favored Glycine 0 N--CA 1.496 2.651 0 N-CA-C 109.84 -1.304 . . . . 0.0 109.84 179.874 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 64.7 mm-40 -134.79 147.78 50.05 Favored 'General case' 0 N--CA 1.499 2.006 0 O-C-N 121.311 -1.111 . . . . 0.0 109.315 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 2.1 m -99.45 118.5 36.19 Favored 'General case' 0 N--CA 1.5 2.063 0 O-C-N 121.296 -0.877 . . . . 0.0 109.93 -179.591 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 2.3 p-10 -90.53 179.49 5.83 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.38 -0.825 . . . . 0.0 109.998 179.553 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' PHE . . . . . 0.606 ' CE2' ' CE1' ' A' ' 14' ' ' PHE . 0.3 OUTLIER -59.96 -45.19 93.48 Favored 'General case' 0 N--CA 1.494 1.763 0 O-C-N 121.46 -0.775 . . . . 0.0 110.065 -179.615 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 70.3 tp60 -59.85 -47.28 86.36 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 120.954 -1.091 . . . . 0.0 109.063 -179.279 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 86.0 mt-10 -61.88 -39.83 93.3 Favored 'General case' 0 N--CA 1.487 1.381 0 O-C-N 121.084 -1.01 . . . . 0.0 109.313 179.296 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 51.2 t80 -60.09 -49.99 75.49 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.117 -0.99 . . . . 0.0 109.278 179.652 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 55.9 tpp -60.64 -39.84 89.79 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 121.349 -0.844 . . . . 0.0 109.497 179.567 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -59.07 -39.87 83.44 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.447 -0.783 . . . . 0.0 109.777 -179.17 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 65.5 t80 -59.87 -46.72 88.42 Favored 'General case' 0 C--N 1.301 -1.51 0 O-C-N 121.155 -0.966 . . . . 0.0 108.869 179.798 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 53.6 t -63.92 -40.34 88.68 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.477 0 O-C-N 121.342 -0.849 . . . . 0.0 108.99 179.449 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 40.5 t -62.07 -43.87 97.9 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.434 -0.791 . . . . 0.0 110.606 -179.601 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 28.4 ttt -60.46 -41.1 93.43 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.084 -1.01 . . . . 0.0 110.404 -179.008 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . 0.483 ' O ' ' SG ' ' A' ' 84' ' ' CYS . 74.3 t -65.88 -39.98 86.22 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.496 0 O-C-N 121.227 -0.921 . . . . 0.0 109.173 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 83.4 m -60.01 -47.46 85.73 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.349 -0.844 . . . . 0.0 109.881 -179.429 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 40.0 p -67.27 -40.05 86.11 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 120.883 -1.136 . . . . 0.0 109.749 -179.644 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . 0.42 ' O ' ' O ' ' A' ' 84' ' ' CYS . . . -61.96 -39.97 93.95 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.301 -0.875 . . . . 0.0 110.104 -179.823 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 84' ' ' CYS . . . . . 0.483 ' SG ' ' O ' ' A' ' 80' ' ' VAL . 71.0 m -39.93 159.88 0.01 OUTLIER 'General case' 0 N--CA 1.498 1.955 0 O-C-N 121.504 -0.748 . . . . 0.0 110.564 -179.267 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 92.0 m-70 -94.24 96.56 9.66 Favored 'General case' 0 N--CA 1.494 1.773 0 O-C-N 121.393 -0.817 . . . . 0.0 109.867 -179.297 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 43.73 -154.91 0.02 OUTLIER 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.565 -0.709 . . . . 0.0 109.722 179.3 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 52.2 p90 -87.45 132.36 34.02 Favored 'General case' 0 N--CA 1.494 1.759 0 O-C-N 121.096 -1.003 . . . . 0.0 109.359 179.881 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 5.7 m-85 . . . . . 0 N--CA 1.492 1.672 0 O-C-N 120.996 -1.065 . . . . 0.0 108.33 179.757 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 10.7 m . . . . . 0 N--CA 1.49 1.541 0 CA-C-O 121.233 0.54 . . . . 0.0 109.604 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 74.9 mm-40 -60.07 -37.31 79.5 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.399 -0.813 . . . . 0.0 109.626 -179.94 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 65.7 mt -60.04 -40.27 88.81 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.225 -0.922 . . . . 0.0 110.216 -179.037 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 -66.07 -40.17 90.65 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 120.905 -1.122 . . . . 0.0 109.921 -179.559 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 63.2 mttp -68.4 -38.7 81.55 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.106 -0.997 . . . . 0.0 109.79 179.174 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -59.96 -44.91 94.14 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.16 -0.962 . . . . 0.0 110.102 -178.945 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 7' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -60.08 -45.75 91.88 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 120.979 -1.076 . . . . 0.0 109.227 -179.883 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 92.9 t -67.73 -38.55 80.49 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.643 0 O-C-N 121.261 -0.899 . . . . 0.0 109.656 -179.921 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -56.45 -49.04 75.77 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.265 -0.897 . . . . 0.0 110.544 -178.823 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 9.6 mp -60.14 -46.03 91.04 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 120.887 -1.133 . . . . 0.0 109.74 -179.356 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 44.5 mm -67.16 -42.7 88.44 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.726 0 O-C-N 120.702 -1.249 . . . . 0.0 109.777 -179.937 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 7.6 t0 -60.09 -49.75 76.43 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.25 -0.906 . . . . 0.0 110.586 -179.149 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 93.8 t -69.28 -40.91 80.81 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.748 0 O-C-N 120.956 -1.09 . . . . 0.0 110.26 -178.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 14' ' ' PHE . . . . . 0.618 ' CE1' ' CE2' ' B' ' 70' ' ' PHE . 25.9 t80 -60.01 -45.2 93.55 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 121.196 -0.94 . . . . 0.0 109.749 -179.089 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 11.5 t-160 -65.26 -41.48 94.23 Favored 'General case' 0 N--CA 1.494 1.76 0 O-C-N 121.247 -0.908 . . . . 0.0 111.521 -179.177 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 4.8 tm0? -64.59 -52.93 55.0 Favored 'General case' 0 N--CA 1.494 1.772 0 O-C-N 120.883 -1.136 . . . . 0.0 111.006 -178.184 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 56.0 m-85 -69.92 -40.14 75.74 Favored 'General case' 0 N--CA 1.496 1.841 0 O-C-N 120.81 -1.181 . . . . 0.0 110.337 -179.857 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 18' ' ' SER . . . . . 0.537 ' C ' ' H ' ' B' ' 20' ' ' ARG . 80.4 p -67.93 -34.56 76.84 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.192 -0.943 . . . . 0.0 110.366 -179.249 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -69.48 17.91 0.6 Allowed Glycine 0 N--CA 1.494 2.52 0 N-CA-C 110.217 -1.153 . . . . 0.0 110.217 -179.486 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 20' ' ' ARG . . . . . 0.537 ' H ' ' C ' ' B' ' 18' ' ' SER . 11.7 tpp180 -60.17 -39.78 87.65 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 120.972 -1.311 . . . . 0.0 109.797 -179.584 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 21' ' ' GLU . . . . . 0.527 ' C ' ' H ' ' B' ' 23' ' ' ASP . 66.7 tt0 -146.22 57.0 1.19 Allowed 'General case' 0 N--CA 1.498 1.952 0 O-C-N 120.946 -1.096 . . . . 0.0 110.178 -179.531 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . 61.6 -4.08 0.5 Allowed Glycine 0 N--CA 1.493 2.499 0 C-N-CA 119.765 -1.207 . . . . 0.0 110.142 179.491 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 23' ' ' ASP . . . . . 0.527 ' H ' ' C ' ' B' ' 21' ' ' GLU . 96.4 m-20 -84.05 63.37 7.58 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.051 -1.264 . . . . 0.0 109.269 -179.869 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 47.8 mtmt -69.95 -38.45 76.15 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.462 -0.774 . . . . 0.0 110.364 -179.744 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 25' ' ' HIS . . . . . . . . . . . . . 39.5 t-80 -90.07 1.61 56.16 Favored 'General case' 0 N--CA 1.497 1.904 0 O-C-N 121.025 -1.047 . . . . 0.0 111.71 -178.0 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 85.6 mttt -136.92 144.96 43.74 Favored 'General case' 0 N--CA 1.503 2.212 0 O-C-N 120.835 -1.166 . . . . 0.0 111.193 -178.865 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 19.8 mt -120.14 141.47 49.82 Favored 'General case' 0 N--CA 1.498 1.953 0 N-CA-C 108.635 -0.876 . . . . 0.0 108.635 179.348 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 28' ' ' LYS . . . . . 0.479 ' NZ ' ' OD2' ' B' ' 23' ' ' ASP . 37.3 mttp -98.55 165.95 11.58 Favored 'General case' 0 N--CA 1.498 1.961 0 O-C-N 121.149 -0.97 . . . . 0.0 109.862 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 13.0 pttm -60.01 -39.98 87.67 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.399 -0.813 . . . . 0.0 109.485 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 22.7 t -61.49 -40.06 93.22 Favored 'General case' 0 C--N 1.302 -1.461 0 O-C-N 121.291 -0.881 . . . . 0.0 109.563 -179.943 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 40.0 mt-10 -60.51 -40.0 89.81 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 121.248 -0.908 . . . . 0.0 109.914 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 92.7 mt -64.76 -40.16 94.82 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.137 -0.977 . . . . 0.0 109.82 -179.558 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 2.4 tmmt? -60.06 -49.7 76.62 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 120.657 -1.277 . . . . 0.0 110.34 -179.131 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 99.7 mt-10 -69.76 -38.77 76.89 Favored 'General case' 0 C--N 1.299 -1.601 0 O-C-N 121.153 -0.967 . . . . 0.0 109.581 -179.877 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 62.3 tp -60.08 -49.41 77.78 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.486 -0.759 . . . . 0.0 111.436 -178.23 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 36' ' ' ILE . . . . . 0.458 ' O ' ' OE1' ' B' ' 39' ' ' GLU . 1.5 mp -60.11 -40.48 83.5 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.099 0 O-C-N 120.669 -1.269 . . . . 0.0 110.12 -178.239 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 67.2 m-80 -60.61 -38.33 84.35 Favored 'General case' 0 C--N 1.296 -1.74 0 O-C-N 120.505 -1.372 . . . . 0.0 109.918 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 20.7 m120 -60.29 -41.42 93.34 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.328 -0.857 . . . . 0.0 112.618 -177.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 39' ' ' GLU . . . . . 0.514 ' N ' ' OE1' ' B' ' 39' ' ' GLU . 0.0 OUTLIER -107.59 -73.4 0.69 Allowed 'General case' 0 N--CA 1.514 2.746 0 O-C-N 120.806 -1.184 . . . . 0.0 110.524 -178.546 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' B' B ' 40' ' ' LEU . . . . . 0.455 ' N ' ' OE1' ' B' ' 39' ' ' GLU . 3.0 mp -85.01 81.72 8.77 Favored 'General case' 0 N--CA 1.494 1.751 0 O-C-N 121.161 -0.962 . . . . 0.0 110.186 -178.464 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 41' ' ' SER . . . . . 0.44 ' OG ' ' N ' ' B' ' 42' ' ' HIS . 1.7 p -102.07 -52.48 3.15 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.276 -0.89 . . . . 0.0 108.695 178.881 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 42' ' ' HIS . . . . . 0.44 ' N ' ' OG ' ' B' ' 41' ' ' SER . 94.3 m-70 -70.04 -36.35 74.97 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.693 -0.63 . . . . 0.0 110.319 -179.737 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 64.2 m-85 -59.79 -40.25 87.66 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.059 -1.026 . . . . 0.0 109.972 -179.202 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 44' ' ' LEU . . . . . 0.472 ' CD1' ' N ' ' B' ' 44' ' ' LEU . 7.8 mp -99.98 14.2 31.37 Favored 'General case' 0 N--CA 1.499 2.01 0 O-C-N 121.279 -0.888 . . . . 0.0 109.318 -179.431 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 45' ' ' GLU . . . . . 0.434 ' O ' ' O ' ' B' ' 46' ' ' GLU . 64.6 mm-40 57.09 39.75 28.9 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.707 -0.62 . . . . 0.0 110.346 -179.786 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 46' ' ' GLU . . . . . 0.434 ' O ' ' O ' ' B' ' 45' ' ' GLU . 95.9 mt-10 46.75 95.83 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.129 -0.982 . . . . 0.0 110.396 178.862 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 84.3 mt -60.09 120.0 5.19 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.562 0 O-C-N 120.893 -1.129 . . . . 0.0 108.822 179.28 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -101.46 -4.35 26.99 Favored 'General case' 0 N--CA 1.499 1.997 0 O-C-N 121.356 -0.84 . . . . 0.0 110.617 -179.444 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 13.9 mm-40 -111.77 131.62 55.2 Favored 'General case' 0 N--CA 1.509 2.487 0 O-C-N 121.05 -1.032 . . . . 0.0 109.308 179.492 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 4.3 mp0 -70.13 -36.75 75.01 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 121.367 -0.833 . . . . 0.0 109.911 179.691 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 13.3 pt-20 -59.98 -33.49 72.03 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.181 -0.95 . . . . 0.0 110.269 -179.183 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 54.7 t -60.07 -40.8 84.33 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.551 0 O-C-N 120.859 -1.151 . . . . 0.0 108.77 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 54.1 t -61.75 -41.7 91.57 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.468 0 O-C-N 121.292 -0.88 . . . . 0.0 109.194 179.112 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 7.0 t0 -63.19 -41.93 99.27 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.19 -0.944 . . . . 0.0 110.129 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -60.04 -48.77 80.33 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.107 -0.995 . . . . 0.0 108.937 -179.674 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 54.7 t -65.5 -41.57 91.24 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.559 0 O-C-N 121.219 -0.926 . . . . 0.0 109.287 179.41 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 57' ' ' MET . . . . . . . . . . . . . 28.2 ttt -61.27 -40.24 93.36 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.292 -0.88 . . . . 0.0 109.549 179.83 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 14.0 tm-20 -59.94 -39.97 87.35 Favored 'General case' 0 N--CA 1.488 1.459 0 O-C-N 121.495 -0.753 . . . . 0.0 110.187 -179.735 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 95.3 m -60.23 -45.11 94.36 Favored 'General case' 0 N--CA 1.495 1.815 0 O-C-N 121.135 -0.978 . . . . 0.0 110.73 -179.287 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 60' ' ' LEU . . . . . 0.467 ' CD2' ' N ' ' B' ' 60' ' ' LEU . 3.6 mm? -68.52 -40.01 80.95 Favored 'General case' 0 N--CA 1.496 1.85 0 O-C-N 120.982 -1.074 . . . . 0.0 110.028 -179.279 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 91.0 m-20 -80.98 57.43 3.09 Favored 'General case' 0 N--CA 1.488 1.462 0 O-C-N 121.185 -0.947 . . . . 0.0 109.428 179.899 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 87.4 tt0 -60.18 -31.59 70.27 Favored 'General case' 0 C--N 1.303 -1.418 0 N-CA-C 108.293 -1.003 . . . . 0.0 108.293 179.649 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 63' ' ' ASP . . . . . 0.429 ' OD2' ' OD2' ' B' ' 65' ' ' ASP . 29.4 p30 -77.73 -11.18 59.85 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.348 -0.845 . . . . 0.0 109.29 179.482 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 68.68 29.47 72.77 Favored Glycine 0 N--CA 1.493 2.472 0 N-CA-C 110.505 -1.038 . . . . 0.0 110.505 179.061 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 65' ' ' ASP . . . . . 0.429 ' OD2' ' OD2' ' B' ' 63' ' ' ASP . 98.2 m-20 -63.01 -37.1 85.83 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.047 -1.266 . . . . 0.0 109.204 179.749 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 95.38 -7.9 69.05 Favored Glycine 0 N--CA 1.496 2.678 0 N-CA-C 109.866 -1.294 . . . . 0.0 109.866 179.871 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 64.8 mm-40 -134.9 147.56 49.86 Favored 'General case' 0 N--CA 1.498 1.967 0 O-C-N 121.316 -1.108 . . . . 0.0 109.381 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 68' ' ' CYS . . . . . . . . . . . . . 2.0 m -99.35 118.36 35.83 Favored 'General case' 0 N--CA 1.499 2.002 0 O-C-N 121.367 -0.833 . . . . 0.0 109.942 -179.554 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 2.4 p-10 -90.34 179.53 5.86 Favored 'General case' 0 N--CA 1.494 1.74 0 O-C-N 121.457 -0.777 . . . . 0.0 109.966 179.665 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 70' ' ' PHE . . . . . 0.618 ' CE2' ' CE1' ' B' ' 14' ' ' PHE . 0.2 OUTLIER -60.01 -45.19 93.55 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.425 -0.797 . . . . 0.0 110.077 -179.65 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 70.9 tp60 -60.02 -47.3 86.39 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 120.9 -1.125 . . . . 0.0 109.036 -179.248 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 85.2 mt-10 -61.68 -39.93 93.18 Favored 'General case' 0 N--CA 1.488 1.437 0 O-C-N 121.018 -1.051 . . . . 0.0 109.378 179.294 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 73' ' ' PHE . . . . . . . . . . . . . 53.3 t80 -60.04 -50.03 75.34 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 120.999 -1.063 . . . . 0.0 109.397 179.463 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 74' ' ' MET . . . . . . . . . . . . . 54.8 tpp -60.33 -40.13 89.52 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.32 -0.862 . . . . 0.0 109.462 179.392 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -59.51 -39.29 83.37 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.281 -0.887 . . . . 0.0 109.74 -178.871 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 64.6 t80 -60.0 -46.41 89.56 Favored 'General case' 0 C--N 1.302 -1.486 0 O-C-N 121.112 -0.992 . . . . 0.0 108.826 179.738 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 77' ' ' VAL . . . . . . . . . . . . . 54.2 t -63.9 -40.68 89.93 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.506 0 O-C-N 121.316 -0.865 . . . . 0.0 109.033 179.306 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 78' ' ' SER . . . . . . . . . . . . . 33.7 t -61.64 -44.34 97.16 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.321 -0.862 . . . . 0.0 110.522 -179.686 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 79' ' ' MET . . . . . . . . . . . . . 28.4 ttt -60.09 -41.21 91.99 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.22 -0.925 . . . . 0.0 110.521 -178.922 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 80' ' ' VAL . . . . . 0.465 ' O ' ' SG ' ' B' ' 84' ' ' CYS . 61.6 t -66.08 -39.93 85.8 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.571 0 O-C-N 121.307 -0.871 . . . . 0.0 109.138 -179.893 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 63.3 m -59.84 -46.84 88.02 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.383 -0.823 . . . . 0.0 110.153 -179.508 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 41.0 p -68.04 -39.95 82.97 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 120.88 -1.137 . . . . 0.0 109.672 -179.735 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 83' ' ' ALA . . . . . 0.409 ' O ' ' C ' ' B' ' 84' ' ' CYS . . . -61.66 -40.04 93.52 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.243 -0.911 . . . . 0.0 110.098 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 84' ' ' CYS . . . . . 0.465 ' SG ' ' O ' ' B' ' 80' ' ' VAL . 74.7 m -39.99 159.76 0.01 OUTLIER 'General case' 0 N--CA 1.498 1.961 0 O-C-N 121.588 -0.695 . . . . 0.0 110.502 -179.15 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 85' ' ' HIS . . . . . . . . . . . . . 91.8 m-70 -94.28 96.81 9.81 Favored 'General case' 0 N--CA 1.494 1.758 0 O-C-N 121.325 -0.859 . . . . 0.0 109.742 -179.348 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 43.66 -154.77 0.02 OUTLIER 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.516 -0.74 . . . . 0.0 109.843 179.335 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 87' ' ' PHE . . . . . . . . . . . . . 51.4 p90 -87.42 132.36 34.01 Favored 'General case' 0 N--CA 1.494 1.761 0 O-C-N 121.005 -1.059 . . . . 0.0 109.369 179.758 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 5.8 m-85 . . . . . 0 N--CA 1.492 1.638 0 O-C-N 120.979 -1.075 . . . . 0.0 108.368 179.699 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 75.6 p . . . . . 0 N--CA 1.503 2.197 0 CA-C-O 121.172 0.51 . . . . 0.0 110.041 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 79.0 mm-40 -61.54 -40.0 93.09 Favored 'General case' 0 C--N 1.299 -1.61 0 O-C-N 121.025 -1.047 . . . . 0.0 110.696 -179.097 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -54.3 -54.14 44.26 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 120.941 -1.099 . . . . 0.0 109.611 -178.369 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 23.0 pt-20 -64.67 -31.51 72.76 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 120.793 -1.192 . . . . 0.0 110.933 -179.495 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 22.9 tptm -60.6 -40.34 91.43 Favored 'General case' 0 N--CA 1.495 1.793 0 O-C-N 120.525 -1.359 . . . . 0.0 108.986 179.657 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -59.8 -39.88 86.47 Favored 'General case' 0 C--N 1.301 -1.533 0 O-C-N 121.528 -0.733 . . . . 0.0 109.466 -179.683 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 48.3 ttm -60.4 -41.98 94.98 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.107 -0.996 . . . . 0.0 109.46 -179.597 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 53.0 t -67.02 -40.84 86.4 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.659 0 O-C-N 121.261 -0.899 . . . . 0.0 110.15 -179.453 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.38 -45.08 95.86 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 120.992 -1.067 . . . . 0.0 110.545 -178.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 33.9 tp -59.98 -48.74 80.47 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.0 -1.062 . . . . 0.0 108.969 -179.284 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 90.5 mt -68.59 -43.63 83.34 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.528 0 O-C-N 121.299 -0.876 . . . . 0.0 109.835 -179.8 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . 0.522 ' O ' ' NE2' ' A' ' 16' ' ' GLN . 7.5 t70 -60.5 -49.2 78.49 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.403 -0.811 . . . . 0.0 110.95 -179.289 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 55.1 t -68.22 -42.38 84.62 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.549 0 O-C-N 121.222 -0.924 . . . . 0.0 109.812 -179.284 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 16.6 t80 -60.2 -49.76 76.35 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.378 -0.826 . . . . 0.0 111.522 -179.002 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 61.4 m80 -70.61 -41.29 72.46 Favored 'General case' 0 C--N 1.3 -1.568 0 O-C-N 120.972 -1.08 . . . . 0.0 111.298 -178.546 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . 0.524 ' N ' ' OE1' ' A' ' 16' ' ' GLN . 0.8 OUTLIER -64.15 -42.01 96.94 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.004 -1.06 . . . . 0.0 110.304 -179.226 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -73.31 -38.94 65.67 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 121.323 -0.861 . . . . 0.0 109.572 -179.776 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' SER . . . . . 0.558 ' C ' ' H ' ' A' ' 20' ' ' ARG . 91.6 p -60.98 -19.99 61.85 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 121.134 -0.979 . . . . 0.0 110.835 -179.056 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -68.44 26.98 0.27 Allowed Glycine 0 N--CA 1.492 2.431 0 N-CA-C 110.353 -1.099 . . . . 0.0 110.353 -179.702 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . 0.558 ' H ' ' C ' ' A' ' 18' ' ' SER . 14.3 mmm180 -60.26 -41.45 93.27 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 120.849 -1.383 . . . . 0.0 110.061 179.901 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . 0.584 ' O ' ' N ' ' A' ' 23' ' ' ASP . 10.6 tp10 -157.85 103.47 1.89 Allowed 'General case' 0 N--CA 1.494 1.743 0 O-C-N 121.142 -0.974 . . . . 0.0 110.678 -179.025 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 57.94 -63.51 0.01 OUTLIER Glycine 0 N--CA 1.5 2.914 0 C-N-CA 120.96 -0.638 . . . . 0.0 111.591 178.455 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . 0.584 ' N ' ' O ' ' A' ' 21' ' ' GLU . 24.4 p-10 -61.84 129.23 39.97 Favored 'General case' 0 C--N 1.302 -1.463 0 O-C-N 120.83 -1.394 . . . . 0.0 109.802 -178.796 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 19.2 pttp -119.09 -7.75 10.29 Favored 'General case' 0 N--CA 1.496 1.851 0 O-C-N 121.719 -0.613 . . . . 0.0 110.059 -179.837 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 41.8 p-80 -136.34 17.39 3.17 Favored 'General case' 0 N--CA 1.502 2.139 0 O-C-N 121.15 -0.969 . . . . 0.0 111.127 -178.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 19.3 ttmm -141.01 145.26 35.69 Favored 'General case' 0 N--CA 1.5 2.026 0 O-C-N 120.815 -1.178 . . . . 0.0 109.613 -179.8 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.564 ' CD2' ' N ' ' A' ' 27' ' ' LEU . 1.2 mm? -108.57 135.88 49.09 Favored 'General case' 0 N--CA 1.498 1.93 0 N-CA-C 108.574 -0.898 . . . . 0.0 108.574 179.277 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.444 ' HZ3' ' HB2' ' A' ' 28' ' ' LYS . 8.6 mtmp? -98.59 -178.96 4.16 Favored 'General case' 0 N--CA 1.496 1.832 0 O-C-N 121.485 -0.759 . . . . 0.0 109.105 179.144 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 46.9 mttp -61.32 -55.35 32.73 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.199 -0.938 . . . . 0.0 110.485 -178.733 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 58.8 m -66.58 -40.23 88.85 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.4 -0.813 . . . . 0.0 110.579 -179.022 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -60.92 -40.14 92.08 Favored 'General case' 0 N--CA 1.495 1.803 0 O-C-N 121.31 -0.869 . . . . 0.0 110.989 -178.467 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 1.6 tt -60.88 -41.72 96.57 Favored 'General case' 0 C--N 1.302 -1.457 0 O-C-N 120.995 -1.066 . . . . 0.0 109.705 -178.547 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.09 -44.44 94.79 Favored 'General case' 0 N--CA 1.495 1.795 0 O-C-N 120.568 -1.333 . . . . 0.0 110.087 -179.939 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 54.6 tp10 -61.0 -39.76 90.94 Favored 'General case' 0 N--CA 1.494 1.746 0 O-C-N 121.479 -0.763 . . . . 0.0 110.314 -179.258 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 3.2 tt -61.23 -48.48 81.29 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.155 -0.965 . . . . 0.0 110.091 -178.728 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.473 ' O ' ' O ' ' A' ' 40' ' ' LEU . 96.8 mt -61.49 -43.13 96.31 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.68 0 O-C-N 121.235 -0.916 . . . . 0.0 111.133 -178.88 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 14.5 t-20 -62.48 -39.54 93.77 Favored 'General case' 0 N--CA 1.495 1.814 0 O-C-N 120.5 -1.375 . . . . 0.0 111.113 -178.825 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 31.9 m120 -72.44 -67.95 0.51 Allowed 'General case' 0 N--CA 1.492 1.673 0 O-C-N 120.671 -1.268 . . . . 0.0 111.886 -177.824 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 41.2 mt-10 -90.1 -79.39 0.34 Allowed 'General case' 0 N--CA 1.502 2.131 0 O-C-N 120.883 -1.136 . . . . 0.0 113.38 -177.06 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.473 ' O ' ' O ' ' A' ' 36' ' ' ILE . 0.4 OUTLIER -64.52 104.17 0.76 Allowed 'General case' 0 N--CA 1.496 1.849 0 O-C-N 120.805 -1.185 . . . . 0.0 110.69 -176.904 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 28.3 t -158.68 -16.56 0.07 Allowed 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.297 -0.877 . . . . 0.0 109.254 179.057 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 10.3 t60 -62.5 -49.69 74.37 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.395 -0.815 . . . . 0.0 110.377 -179.239 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 81.5 m-85 -70.04 -39.44 75.75 Favored 'General case' 0 N--CA 1.496 1.83 0 O-C-N 121.061 -1.024 . . . . 0.0 110.992 -179.294 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 76.2 mt -103.45 120.29 40.53 Favored 'General case' 0 N--CA 1.498 1.962 0 O-C-N 121.214 -0.929 . . . . 0.0 109.851 -178.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -107.68 -0.38 21.88 Favored 'General case' 0 N--CA 1.496 1.858 0 O-C-N 121.522 -0.736 . . . . 0.0 109.68 179.919 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 -81.25 -142.83 0.04 OUTLIER 'General case' 0 N--CA 1.499 2.002 0 O-C-N 120.928 -1.108 . . . . 0.0 110.871 -178.877 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 5.6 mt 63.06 78.76 0.07 OUTLIER 'Isoleucine or valine' 0 N--CA 1.5 2.047 0 O-C-N 121.424 -0.797 . . . . 0.0 109.212 -178.312 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 28.0 tptp -108.11 -24.31 11.61 Favored 'General case' 0 N--CA 1.5 2.046 0 O-C-N 121.439 -0.788 . . . . 0.0 110.299 -179.824 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 79.5 mm-40 -129.99 155.98 45.2 Favored 'General case' 0 N--CA 1.5 2.067 0 O-C-N 121.337 -0.852 . . . . 0.0 109.842 -179.409 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . 0.467 ' CD ' ' H ' ' A' ' 50' ' ' GLN . 8.5 mp0 -63.09 -31.0 72.04 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.549 -0.719 . . . . 0.0 109.194 179.898 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 13.5 mp0 -59.88 -39.42 85.25 Favored 'General case' 0 N--CA 1.494 1.746 0 O-C-N 121.157 -0.965 . . . . 0.0 109.04 179.895 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 56.0 t -59.72 -41.09 84.23 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.707 0 O-C-N 121.073 -1.017 . . . . 0.0 109.518 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 54.2 t -60.36 -40.22 83.32 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.832 0 O-C-N 121.073 -1.017 . . . . 0.0 109.313 179.633 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 9.5 t70 -59.74 -43.33 94.27 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.417 -0.802 . . . . 0.0 109.356 -178.571 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 25.1 ttpp -61.46 -40.0 92.91 Favored 'General case' 0 C--N 1.3 -1.576 0 O-C-N 121.043 -1.036 . . . . 0.0 108.36 179.258 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 53.0 t -69.88 -40.54 78.96 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.351 0 O-C-N 121.21 -0.931 . . . . 0.0 109.641 -179.918 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 12.6 tpt -60.37 -40.67 91.63 Favored 'General case' 0 N--CA 1.496 1.847 0 O-C-N 121.043 -1.035 . . . . 0.0 110.656 -179.584 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 48.2 mt-10 -61.94 -41.57 98.11 Favored 'General case' 0 N--CA 1.495 1.812 0 O-C-N 120.883 -1.135 . . . . 0.0 109.778 -179.288 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 85.3 m -70.04 -41.77 73.78 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.192 -0.942 . . . . 0.0 109.752 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.404 ' O ' ' N ' ' A' ' 62' ' ' GLU . 55.8 tp -66.87 -41.27 87.58 Favored 'General case' 0 N--CA 1.495 1.819 0 O-C-N 121.069 -1.019 . . . . 0.0 110.036 -179.354 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 37.7 t70 -71.13 62.44 0.31 Allowed 'General case' 0 N--CA 1.49 1.551 0 O-C-N 120.914 -1.116 . . . . 0.0 109.975 -179.246 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . 0.404 ' N ' ' O ' ' A' ' 60' ' ' LEU . 78.9 tt0 -69.78 -35.72 75.12 Favored 'General case' 0 N--CA 1.489 1.487 0 N-CA-C 108.864 -0.791 . . . . 0.0 108.864 178.556 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 74.9 m-20 -59.55 -26.53 65.44 Favored 'General case' 0 C--N 1.305 -1.341 0 O-C-N 121.485 -0.76 . . . . 0.0 109.591 -179.293 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 80.07 17.9 73.39 Favored Glycine 0 N--CA 1.49 2.266 0 N-CA-C 109.087 -1.605 . . . . 0.0 109.087 -179.752 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 45.2 p-10 -93.43 -12.98 28.55 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.332 -1.099 . . . . 0.0 109.38 -179.86 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 76.34 6.56 83.9 Favored Glycine 0 N--CA 1.49 2.247 0 C-N-CA 120.047 -1.073 . . . . 0.0 110.577 178.758 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 74.3 mm-40 -139.01 149.84 45.14 Favored 'General case' 0 N--CA 1.496 1.851 0 O-C-N 121.223 -1.163 . . . . 0.0 109.051 -179.86 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 43.3 t -95.64 117.79 31.12 Favored 'General case' 0 N--CA 1.5 2.053 0 O-C-N 121.052 -1.03 . . . . 0.0 109.01 179.205 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 98.1 m-20 -89.95 170.66 10.18 Favored 'General case' 0 N--CA 1.498 1.946 0 O-C-N 121.512 -0.743 . . . . 0.0 109.627 -179.437 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 70.1 t80 -59.68 -49.05 79.26 Favored 'General case' 0 N--CA 1.494 1.745 0 O-C-N 120.961 -1.087 . . . . 0.0 109.561 -179.824 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 14.8 pt20 -60.2 -40.01 88.57 Favored 'General case' 0 C--N 1.304 -1.38 0 O-C-N 121.087 -1.008 . . . . 0.0 109.124 179.636 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -66.4 -39.51 89.07 Favored 'General case' 0 N--CA 1.489 1.522 0 N-CA-C 109.223 -0.658 . . . . 0.0 109.223 179.055 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 68.7 t80 -60.45 -39.63 88.24 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.179 -0.951 . . . . 0.0 109.505 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 25.0 tpp -59.92 -40.13 87.83 Favored 'General case' 0 N--CA 1.493 1.723 0 N-CA-C 108.007 -1.109 . . . . 0.0 108.007 179.559 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -60.0 -38.29 82.18 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.448 -0.783 . . . . 0.0 110.009 179.826 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 72.8 t80 -59.6 -45.49 91.77 Favored 'General case' 0 N--CA 1.494 1.746 0 O-C-N 121.051 -1.031 . . . . 0.0 109.548 -179.48 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 55.9 t -60.1 -42.13 88.89 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.551 0 O-C-N 121.16 -0.963 . . . . 0.0 108.767 179.469 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 85.5 p -69.05 -36.7 77.98 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.317 -0.864 . . . . 0.0 109.688 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 51.8 ttm -59.73 -40.64 88.71 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 120.971 -1.081 . . . . 0.0 110.15 -179.232 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 57.0 t -66.79 -39.94 84.78 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.476 0 C-N-CA 119.044 -1.062 . . . . 0.0 109.289 -179.697 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 92.4 m -69.64 -41.89 74.99 Favored 'General case' 0 C--N 1.301 -1.519 0 O-C-N 121.285 -0.884 . . . . 0.0 110.153 -179.257 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 27.4 p -62.27 -39.48 93.08 Favored 'General case' 0 N--CA 1.495 1.798 0 O-C-N 121.192 -0.943 . . . . 0.0 110.384 -179.672 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -59.92 -42.46 93.98 Favored 'General case' 0 C--N 1.299 -1.604 0 O-C-N 121.075 -1.015 . . . . 0.0 108.637 -179.406 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 71.2 m -80.99 137.23 36.08 Favored 'General case' 0 N--CA 1.494 1.748 0 O-C-N 121.136 -0.978 . . . . 0.0 109.183 178.391 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 85' ' ' HIS . . . . . 0.486 ' H ' ' HD1' ' A' ' 85' ' ' HIS . 23.0 p-80 -71.06 168.89 16.14 Favored 'General case' 0 N--CA 1.493 1.68 0 N-CA-C 108.041 -1.096 . . . . 0.0 108.041 179.34 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 81.8 tt0 -52.27 122.08 8.05 Favored 'General case' 0 N--CA 1.488 1.429 0 O-C-N 120.767 -1.208 . . . . 0.0 108.603 -179.616 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 67.2 t80 -152.76 106.95 3.12 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.197 -0.939 . . . . 0.0 110.16 -178.872 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . 0.588 ' O ' ' CG ' ' A' ' 88' ' ' PHE . 8.3 p90 . . . . . 0 N--CA 1.491 1.578 0 CA-C-O 121.76 0.791 . . . . 0.0 109.247 179.85 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 68.2 p . . . . . 0 N--CA 1.498 1.968 0 CA-C-O 121.207 0.527 . . . . 0.0 109.956 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 77.3 mm-40 -61.11 -39.98 92.03 Favored 'General case' 0 C--N 1.3 -1.573 0 O-C-N 121.301 -0.874 . . . . 0.0 110.685 -179.487 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -54.62 -55.04 33.66 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.02 -1.05 . . . . 0.0 109.677 -178.463 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 23.4 pt-20 -63.8 -32.17 73.59 Favored 'General case' 0 C--N 1.299 -1.596 0 O-C-N 120.686 -1.259 . . . . 0.0 110.716 -179.543 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 23.2 tptm -60.46 -40.17 90.23 Favored 'General case' 0 N--CA 1.498 1.947 0 O-C-N 120.627 -1.296 . . . . 0.0 109.052 -179.884 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -59.83 -40.04 87.13 Favored 'General case' 0 C--N 1.301 -1.537 0 O-C-N 121.277 -0.889 . . . . 0.0 109.496 -179.837 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 7' ' ' MET . . . . . . . . . . . . . 49.4 ttm -60.02 -41.04 91.32 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.11 -0.993 . . . . 0.0 109.463 -179.894 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 55.1 t -68.08 -40.15 82.59 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.618 0 O-C-N 121.158 -0.964 . . . . 0.0 110.221 -179.497 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -62.36 -44.58 96.14 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.041 -1.037 . . . . 0.0 110.433 -179.298 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 28.2 tp -59.86 -48.55 81.26 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 120.904 -1.123 . . . . 0.0 109.126 -179.368 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 96.3 mt -69.09 -42.75 81.99 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.646 0 O-C-N 121.046 -1.034 . . . . 0.0 110.063 -179.653 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 12' ' ' ASP . . . . . 0.511 ' O ' ' NE2' ' B' ' 16' ' ' GLN . 7.4 t70 -60.99 -49.82 75.88 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.483 -0.761 . . . . 0.0 111.089 -179.229 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 55.8 t -67.82 -42.11 85.66 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.511 0 O-C-N 121.359 -0.838 . . . . 0.0 109.738 -179.561 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 14' ' ' PHE . . . . . . . . . . . . . 14.6 t80 -60.39 -49.68 76.62 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.496 -0.753 . . . . 0.0 111.151 -178.828 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 57.1 m80 -70.78 -41.37 71.76 Favored 'General case' 0 C--N 1.297 -1.677 0 O-C-N 120.991 -1.068 . . . . 0.0 111.165 -178.524 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 16' ' ' GLN . . . . . 0.521 ' OE1' ' N ' ' B' ' 16' ' ' GLN . 0.9 OUTLIER -63.97 -43.0 97.08 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.087 -1.008 . . . . 0.0 110.131 -179.257 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -72.48 -38.29 68.23 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.032 -1.042 . . . . 0.0 109.781 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 18' ' ' SER . . . . . 0.565 ' C ' ' H ' ' B' ' 20' ' ' ARG . 86.8 p -61.29 -20.13 62.54 Favored 'General case' 0 N--CA 1.496 1.866 0 O-C-N 121.156 -0.965 . . . . 0.0 110.834 -178.827 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -68.58 27.53 0.28 Allowed Glycine 0 N--CA 1.493 2.48 0 O-C-N 120.868 -1.145 . . . . 0.0 110.336 -179.699 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 20' ' ' ARG . . . . . 0.565 ' H ' ' C ' ' B' ' 18' ' ' SER . 14.8 mmm180 -60.08 -41.1 91.73 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 120.984 -1.303 . . . . 0.0 109.831 179.8 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 21' ' ' GLU . . . . . 0.57 ' O ' ' N ' ' B' ' 23' ' ' ASP . 12.3 tp10 -158.71 103.6 1.73 Allowed 'General case' 0 N--CA 1.493 1.683 0 O-C-N 120.921 -1.112 . . . . 0.0 110.531 -178.912 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . 59.32 -66.78 0.01 OUTLIER Glycine 0 N--CA 1.497 2.712 0 O-C-N 121.346 -0.846 . . . . 0.0 111.457 178.438 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 23' ' ' ASP . . . . . 0.57 ' N ' ' O ' ' B' ' 21' ' ' GLU . 26.1 p-10 -59.65 129.76 43.48 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 120.919 -1.342 . . . . 0.0 109.914 -178.67 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 24' ' ' LYS . . . . . 0.438 ' C ' ' HG ' ' B' ' 18' ' ' SER . 19.3 pttp -119.17 -7.83 10.24 Favored 'General case' 0 N--CA 1.496 1.826 0 O-C-N 121.773 -0.579 . . . . 0.0 109.985 179.703 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 25' ' ' HIS . . . . . . . . . . . . . 41.4 p-80 -136.09 17.77 3.22 Favored 'General case' 0 N--CA 1.499 2.017 0 O-C-N 121.016 -1.053 . . . . 0.0 111.138 -178.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 18.4 ttmm -141.66 144.59 34.21 Favored 'General case' 0 N--CA 1.498 1.95 0 O-C-N 120.931 -1.106 . . . . 0.0 110.107 -179.633 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 27' ' ' LEU . . . . . 0.57 ' N ' ' CD2' ' B' ' 27' ' ' LEU . 1.4 mm? -107.57 135.46 48.99 Favored 'General case' 0 N--CA 1.498 1.971 0 O-C-N 121.411 -0.805 . . . . 0.0 109.068 179.249 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 8.8 mtmp? -98.82 -179.33 4.25 Favored 'General case' 0 N--CA 1.497 1.878 0 N-CA-C 108.943 -0.762 . . . . 0.0 108.943 178.849 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 48.2 mttp -60.88 -54.76 41.1 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.074 -1.017 . . . . 0.0 110.542 -178.865 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 69.7 m -67.06 -40.19 87.04 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 121.344 -0.848 . . . . 0.0 110.515 -179.024 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -60.96 -40.49 93.55 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.343 -0.848 . . . . 0.0 110.788 -178.393 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 1.5 tt -60.55 -41.81 95.3 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 120.866 -1.146 . . . . 0.0 110.002 -178.412 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.4 -43.89 96.24 Favored 'General case' 0 N--CA 1.497 1.897 0 O-C-N 120.688 -1.257 . . . . 0.0 110.094 -179.872 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 54.6 tp10 -61.21 -40.26 93.31 Favored 'General case' 0 N--CA 1.494 1.761 0 O-C-N 121.355 -0.841 . . . . 0.0 109.923 -179.384 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 2.8 tt -60.44 -48.48 81.56 Favored 'General case' 0 N--CA 1.495 1.782 0 O-C-N 121.238 -0.913 . . . . 0.0 110.354 -179.099 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 36' ' ' ILE . . . . . 0.446 ' O ' ' O ' ' B' ' 40' ' ' LEU . 97.6 mt -62.08 -42.08 93.62 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.576 0 O-C-N 121.148 -0.97 . . . . 0.0 111.108 -178.681 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 13.5 t-20 -63.51 -39.71 95.15 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 120.781 -1.199 . . . . 0.0 110.778 -178.469 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 32.8 m120 -71.51 -67.69 0.5 Allowed 'General case' 0 N--CA 1.492 1.636 0 O-C-N 120.95 -1.094 . . . . 0.0 112.194 -177.95 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -91.26 -79.82 0.36 Allowed 'General case' 0 N--CA 1.502 2.138 0 O-C-N 120.699 -1.251 . . . . 0.0 113.388 -176.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 40' ' ' LEU . . . . . 0.446 ' O ' ' O ' ' B' ' 36' ' ' ILE . 0.4 OUTLIER -62.84 103.23 0.42 Allowed 'General case' 0 N--CA 1.496 1.84 0 O-C-N 120.986 -1.072 . . . . 0.0 110.755 -177.193 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 24.6 t -158.69 -15.61 0.07 Allowed 'General case' 0 C--N 1.299 -1.591 0 C-N-CA 119.935 -0.706 . . . . 0.0 109.343 178.836 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 42' ' ' HIS . . . . . . . . . . . . . 10.8 t60 -62.59 -49.94 73.23 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.178 -0.951 . . . . 0.0 110.264 -179.32 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 82.2 m-85 -70.29 -39.19 75.02 Favored 'General case' 0 N--CA 1.495 1.795 0 O-C-N 121.369 -0.832 . . . . 0.0 111.047 -178.899 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 85.1 mt -103.11 120.62 41.02 Favored 'General case' 0 N--CA 1.496 1.873 0 O-C-N 121.074 -1.016 . . . . 0.0 109.593 -178.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -109.11 2.93 21.44 Favored 'General case' 0 N--CA 1.497 1.895 0 O-C-N 121.423 -0.798 . . . . 0.0 109.673 179.74 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 -84.45 -142.63 0.08 Allowed 'General case' 0 N--CA 1.496 1.843 0 O-C-N 120.891 -1.131 . . . . 0.0 110.498 -178.825 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 5.1 mt 63.39 79.83 0.07 OUTLIER 'Isoleucine or valine' 0 N--CA 1.497 1.892 0 O-C-N 121.395 -0.816 . . . . 0.0 109.039 -178.351 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 27.4 tptp -109.12 -24.07 11.34 Favored 'General case' 0 N--CA 1.501 2.119 0 O-C-N 121.557 -0.714 . . . . 0.0 110.145 -179.468 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 79.3 mm-40 -130.15 156.02 45.26 Favored 'General case' 0 N--CA 1.498 1.947 0 O-C-N 121.473 -0.767 . . . . 0.0 109.703 -179.305 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 50' ' ' GLN . . . . . 0.482 ' H ' ' CD ' ' B' ' 50' ' ' GLN . 8.1 mp0 -63.35 -30.33 71.48 Favored 'General case' 0 C--N 1.302 -1.465 0 O-C-N 121.443 -0.785 . . . . 0.0 108.883 179.699 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 14.3 mp0 -60.2 -39.07 85.25 Favored 'General case' 0 N--CA 1.495 1.81 0 O-C-N 121.104 -0.997 . . . . 0.0 109.251 179.714 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 54.5 t -60.29 -40.89 85.14 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.581 0 O-C-N 121.217 -0.927 . . . . 0.0 109.35 -179.835 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 53.0 t -61.0 -39.95 83.94 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.766 0 O-C-N 121.165 -0.959 . . . . 0.0 109.385 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 8.7 t70 -59.57 -41.75 90.93 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.287 -0.883 . . . . 0.0 109.356 -178.525 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 24.2 ttpp -62.73 -39.9 95.54 Favored 'General case' 0 N--CA 1.488 1.464 0 O-C-N 121.083 -1.011 . . . . 0.0 108.364 179.066 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 79.2 t -69.98 -40.83 79.09 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.41 0 O-C-N 121.232 -0.917 . . . . 0.0 109.681 179.854 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 57' ' ' MET . . . . . . . . . . . . . 13.1 tpt -60.46 -40.13 90.1 Favored 'General case' 0 N--CA 1.496 1.83 0 O-C-N 121.131 -0.98 . . . . 0.0 110.654 -179.279 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 48.0 mt-10 -62.33 -40.72 97.29 Favored 'General case' 0 N--CA 1.495 1.816 0 O-C-N 120.795 -1.191 . . . . 0.0 110.205 -179.427 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 89.6 m -71.09 -40.31 71.62 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.529 -0.732 . . . . 0.0 110.017 -179.816 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 58.8 tp -68.69 -39.83 80.33 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.226 -0.921 . . . . 0.0 109.986 -179.706 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 37.4 t70 -72.24 62.64 0.5 Allowed 'General case' 0 N--CA 1.488 1.461 0 O-C-N 121.119 -0.988 . . . . 0.0 109.747 -179.209 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 77.4 tt0 -70.2 -34.99 73.61 Favored 'General case' 0 N--CA 1.49 1.529 0 N-CA-C 108.845 -0.798 . . . . 0.0 108.845 178.809 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 74.7 m-20 -60.14 -27.65 67.25 Favored 'General case' 0 N--CA 1.488 1.449 0 O-C-N 121.301 -0.874 . . . . 0.0 109.505 -179.522 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 81.2 17.22 72.33 Favored Glycine 0 N--CA 1.487 2.1 0 N-CA-C 108.91 -1.676 . . . . 0.0 108.91 -179.603 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 47.0 p-10 -92.3 -12.87 31.32 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.294 -1.121 . . . . 0.0 109.653 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 76.48 7.11 85.18 Favored Glycine 0 N--CA 1.491 2.309 0 C-N-CA 119.844 -1.17 . . . . 0.0 110.488 178.622 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 74.2 mm-40 -139.94 149.46 43.33 Favored 'General case' 0 N--CA 1.498 1.929 0 O-C-N 121.339 -1.095 . . . . 0.0 108.865 -179.886 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 68' ' ' CYS . . . . . . . . . . . . . 48.1 t -95.82 118.23 32.07 Favored 'General case' 0 N--CA 1.499 1.993 0 O-C-N 121.062 -1.023 . . . . 0.0 109.013 179.174 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 98.0 m-20 -89.67 170.79 10.16 Favored 'General case' 0 N--CA 1.496 1.852 0 O-C-N 121.647 -0.658 . . . . 0.0 109.714 -179.431 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 71.3 t80 -59.84 -49.17 78.76 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.104 -0.998 . . . . 0.0 109.515 -179.894 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 14.2 pt20 -60.26 -40.13 89.25 Favored 'General case' 0 C--N 1.302 -1.496 0 O-C-N 121.046 -1.034 . . . . 0.0 108.984 179.665 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 83.4 tt0 -66.13 -40.04 90.33 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.499 -0.751 . . . . 0.0 109.364 179.08 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 73' ' ' PHE . . . . . . . . . . . . . 70.9 t80 -60.06 -39.72 86.98 Favored 'General case' 0 N--CA 1.495 1.806 0 O-C-N 121.312 -0.867 . . . . 0.0 109.482 179.723 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 74' ' ' MET . . . . . . . . . . . . . 29.0 tpp -59.95 -39.71 86.49 Favored 'General case' 0 N--CA 1.495 1.808 0 N-CA-C 107.942 -1.133 . . . . 0.0 107.942 179.508 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -60.66 -37.88 83.02 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.437 -0.789 . . . . 0.0 110.023 179.653 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 73.4 t80 -59.95 -45.02 93.99 Favored 'General case' 0 N--CA 1.495 1.803 0 O-C-N 121.018 -1.051 . . . . 0.0 109.476 -179.476 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 77' ' ' VAL . . . . . . . . . . . . . 55.6 t -60.38 -41.89 88.92 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.537 0 O-C-N 121.153 -0.967 . . . . 0.0 109.022 179.384 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 78' ' ' SER . . . . . . . . . . . . . 83.9 p -69.32 -36.34 76.85 Favored 'General case' 0 C--N 1.303 -1.456 0 O-C-N 121.375 -0.828 . . . . 0.0 109.857 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 79' ' ' MET . . . . . . . . . . . . . 51.4 ttm -59.73 -41.18 90.33 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 120.986 -1.071 . . . . 0.0 110.287 -179.441 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 57.5 t -66.42 -40.31 86.26 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.406 0 O-C-N 121.055 -1.028 . . . . 0.0 109.168 -179.339 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 92.6 m -69.43 -41.4 76.37 Favored 'General case' 0 C--N 1.3 -1.545 0 O-C-N 121.226 -0.921 . . . . 0.0 110.084 -179.494 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 22.8 p -62.86 -38.97 92.96 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.222 -0.924 . . . . 0.0 110.077 -179.428 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -60.06 -42.74 95.17 Favored 'General case' 0 C--N 1.301 -1.542 0 O-C-N 121.04 -1.038 . . . . 0.0 108.483 -179.438 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 84' ' ' CYS . . . . . . . . . . . . . 73.7 m -80.67 137.48 36.32 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.368 -0.832 . . . . 0.0 108.968 178.718 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 85' ' ' HIS . . . . . 0.497 ' H ' ' HD1' ' B' ' 85' ' ' HIS . 19.7 p-80 -71.65 168.9 16.71 Favored 'General case' 0 N--CA 1.494 1.752 0 O-C-N 120.885 -1.134 . . . . 0.0 108.219 179.15 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 79.7 tt0 -52.44 121.82 7.71 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 120.862 -1.149 . . . . 0.0 108.411 -179.681 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 87' ' ' PHE . . . . . . . . . . . . . 68.6 t80 -153.08 106.68 3.04 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.32 -0.863 . . . . 0.0 109.888 -178.836 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 88' ' ' PHE . . . . . 0.581 ' CG ' ' O ' ' B' ' 88' ' ' PHE . 8.1 p90 . . . . . 0 N--CA 1.494 1.737 0 O-C-N 121.313 -0.867 . . . . 0.0 109.236 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 20.9 t . . . . . 0 N--CA 1.489 1.507 0 CA-C-O 121.44 0.638 . . . . 0.0 109.93 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 39.7 tt0 -60.1 -39.93 87.89 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.444 -0.785 . . . . 0.0 109.799 -179.736 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 57.1 mt -59.95 -37.06 78.46 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.168 -0.957 . . . . 0.0 109.618 -179.453 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 83.6 tt0 -59.98 -43.79 94.89 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 120.998 -1.064 . . . . 0.0 109.157 -179.586 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 61.0 mttp -68.43 -39.98 81.34 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 120.946 -1.096 . . . . 0.0 109.108 179.713 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -61.91 -47.42 85.01 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.313 -0.867 . . . . 0.0 109.263 179.821 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 43.9 tpp -60.01 -45.7 91.91 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.292 -0.88 . . . . 0.0 108.939 179.641 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 58.9 t -69.16 -40.9 81.09 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.5 0 O-C-N 121.567 -0.708 . . . . 0.0 109.574 -179.589 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -63.32 -44.47 94.87 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.269 -0.895 . . . . 0.0 110.131 -179.591 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 56.8 tp -60.07 -49.31 78.16 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.232 -0.918 . . . . 0.0 110.161 -179.483 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . 0.407 HD12 HG22 ' A' ' 11' ' ' ILE . 96.9 mt -66.22 -40.0 85.77 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.486 0 O-C-N 121.105 -0.997 . . . . 0.0 110.074 -179.516 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 97.5 m-20 -60.27 -40.03 88.92 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.192 -0.943 . . . . 0.0 110.742 -179.268 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 54.5 t -68.75 -41.87 82.67 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.624 0 O-C-N 120.755 -1.215 . . . . 0.0 109.394 -179.414 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 80.7 t80 -60.04 -49.99 75.48 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.179 -0.95 . . . . 0.0 110.71 -179.774 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 20.4 t60 -65.02 -45.98 83.25 Favored 'General case' 0 N--CA 1.494 1.77 0 O-C-N 121.151 -0.968 . . . . 0.0 110.532 -179.049 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 11.4 tm0? -60.0 -41.38 91.96 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.165 -0.96 . . . . 0.0 110.161 -179.16 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 1.1 t80 -69.89 -40.08 75.87 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.1 -1.0 . . . . 0.0 109.423 -179.703 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 40.6 t -60.35 -39.93 88.92 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 121.309 -0.869 . . . . 0.0 109.584 -179.909 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -76.88 -9.43 86.59 Favored Glycine 0 N--CA 1.489 2.194 0 N-CA-C 110.233 -1.147 . . . . 0.0 110.233 -179.224 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -60.71 -42.64 97.63 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 120.994 -1.298 . . . . 0.0 108.553 179.919 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . 0.468 ' OE1' ' N ' ' A' ' 22' ' ' GLY . 1.6 tm-20 -97.75 164.61 12.32 Favored 'General case' 0 N--CA 1.5 2.054 0 O-C-N 121.135 -0.978 . . . . 0.0 108.789 179.122 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . 0.468 ' N ' ' OE1' ' A' ' 21' ' ' GLU . . . -57.07 -23.89 48.54 Favored Glycine 0 N--CA 1.491 2.312 0 N-CA-C 110.459 -1.056 . . . . 0.0 110.459 -179.662 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 96.3 m-20 -79.98 86.08 5.51 Favored 'General case' 0 N--CA 1.497 1.898 0 O-C-N 120.884 -1.362 . . . . 0.0 110.217 -179.289 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 31.2 mtmm -70.69 -39.97 73.19 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.474 -0.766 . . . . 0.0 111.089 -179.929 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -68.6 -34.29 75.53 Favored 'General case' 0 N--CA 1.498 1.955 0 O-C-N 121.268 -0.895 . . . . 0.0 112.237 -177.193 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 15.9 ptpt -149.34 170.03 19.46 Favored 'General case' 0 N--CA 1.5 2.054 0 O-C-N 120.476 -1.39 . . . . 0.0 111.567 -177.636 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 4.7 mp -110.89 139.98 45.76 Favored 'General case' 0 N--CA 1.496 1.869 0 N-CA-C 109.069 -0.715 . . . . 0.0 109.069 179.805 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.409 ' NZ ' ' OG ' ' A' ' 30' ' ' SER . 11.5 pttp -101.5 -177.86 3.56 Favored 'General case' 0 N--CA 1.502 2.16 0 O-C-N 121.343 -0.848 . . . . 0.0 110.205 -179.761 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 25.3 pttm -60.0 -39.46 85.82 Favored 'General case' 0 N--CA 1.494 1.762 0 O-C-N 121.434 -0.791 . . . . 0.0 110.643 -178.759 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' SER . . . . . 0.46 ' HG ' ' N ' ' A' ' 31' ' ' GLU . 71.4 p -60.0 -43.75 94.98 Favored 'General case' 0 C--N 1.303 -1.44 0 O-C-N 121.093 -1.004 . . . . 0.0 109.658 -178.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . 0.46 ' N ' ' HG ' ' A' ' 30' ' ' SER . 75.8 mt-10 -66.69 -40.84 88.68 Favored 'General case' 0 N--CA 1.488 1.457 0 O-C-N 121.182 -0.949 . . . . 0.0 109.122 179.864 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 64.9 tp -64.07 -45.19 89.86 Favored 'General case' 0 N--CA 1.488 1.427 0 O-C-N 121.444 -0.785 . . . . 0.0 109.537 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 12.5 ttmm -60.02 -48.49 81.47 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.314 -0.866 . . . . 0.0 109.718 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 81.5 tt0 -62.25 -39.98 94.65 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.462 -0.774 . . . . 0.0 110.24 -179.534 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 1.4 tt -54.1 -42.02 68.94 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.181 -0.95 . . . . 0.0 109.123 -178.574 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.476 ' O ' ' O ' ' A' ' 39' ' ' GLU . 44.1 mm -63.52 -40.87 90.66 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.59 0 O-C-N 120.976 -1.078 . . . . 0.0 109.581 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 41.1 t30 -61.0 -41.15 95.96 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 120.791 -1.193 . . . . 0.0 110.735 -179.588 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 33.0 m120 -78.91 -55.14 5.37 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.054 -1.029 . . . . 0.0 110.355 -179.096 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . 0.476 ' O ' ' O ' ' A' ' 36' ' ' ILE . 19.6 mp0 -109.86 171.51 7.41 Favored 'General case' 0 N--CA 1.503 2.212 0 O-C-N 121.367 -0.833 . . . . 0.0 109.055 179.405 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 43.7 mt 54.13 7.91 0.15 Allowed 'General case' 0 N--CA 1.488 1.455 0 O-C-N 121.599 -0.688 . . . . 0.0 110.027 179.491 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' SER . . . . . 0.467 ' H ' ' C ' ' A' ' 39' ' ' GLU . 78.8 p -64.19 -39.99 95.16 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 120.936 -1.102 . . . . 0.0 109.534 179.762 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' HIS . . . . . 0.453 ' N ' ' HG ' ' A' ' 41' ' ' SER . 76.6 m80 -69.98 -39.95 75.65 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.06 -1.025 . . . . 0.0 109.148 179.339 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 80.9 m-85 -69.08 -39.12 79.26 Favored 'General case' 0 C--N 1.302 -1.467 0 N-CA-C 108.819 -0.808 . . . . 0.0 108.819 -179.758 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.43 ' O ' ' O ' ' A' ' 41' ' ' SER . 10.3 mp -115.68 118.77 34.0 Favored 'General case' 0 N--CA 1.501 2.081 0 N-CA-C 108.514 -0.921 . . . . 0.0 108.514 179.363 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 20.8 pt-20 -133.95 30.44 3.68 Favored 'General case' 0 N--CA 1.501 2.08 0 O-C-N 121.144 -0.973 . . . . 0.0 110.48 -179.632 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 62.0 tt0 -137.0 44.0 2.34 Favored 'General case' 0 N--CA 1.499 1.978 0 O-C-N 121.163 -0.961 . . . . 0.0 109.165 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 7.2 mm -109.68 124.72 66.63 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.034 0 O-C-N 121.526 -0.734 . . . . 0.0 109.434 -179.888 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 30.4 ttmt -156.24 -35.56 0.08 Allowed 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.273 -0.892 . . . . 0.0 109.412 179.385 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 77.6 mt-10 -99.78 140.0 34.62 Favored 'General case' 0 N--CA 1.496 1.847 0 O-C-N 121.216 -0.927 . . . . 0.0 109.337 -179.804 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . 0.702 ' H ' ' NE2' ' A' ' 50' ' ' GLN . 0.0 OUTLIER -69.73 -21.19 63.49 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.222 -0.924 . . . . 0.0 109.791 -179.748 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 57.4 mm-40 -59.89 -40.14 87.74 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.304 -0.872 . . . . 0.0 109.145 -179.829 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 78.4 t -64.37 -47.44 89.52 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.412 0 O-C-N 121.202 -0.936 . . . . 0.0 108.727 179.19 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 62.1 t -64.46 -47.42 89.4 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.494 0 O-C-N 121.485 -0.759 . . . . 0.0 109.052 179.816 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 7.1 t70 -59.98 -46.88 87.99 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.394 -0.816 . . . . 0.0 110.021 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 86.2 tttt -60.02 -45.67 92.02 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.195 -0.94 . . . . 0.0 109.334 -179.624 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 54.4 t -60.82 -43.9 96.45 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.458 0 O-C-N 121.31 -0.869 . . . . 0.0 109.288 179.302 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 50.5 ttm -60.03 -46.3 89.98 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.309 -0.869 . . . . 0.0 109.447 179.808 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 86.9 tt0 -60.32 -41.57 93.78 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.294 -0.879 . . . . 0.0 109.446 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 99.4 m -68.16 -40.54 82.3 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.346 -0.846 . . . . 0.0 109.562 179.524 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 6.4 tp -75.71 -30.93 59.45 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.349 -0.845 . . . . 0.0 110.125 -179.624 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 97.6 m-20 -58.54 125.51 23.66 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.029 -1.044 . . . . 0.0 109.524 -178.919 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 78.5 mm-40 -96.57 -34.37 11.46 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.353 -0.842 . . . . 0.0 108.757 179.486 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . 0.403 ' OD1' ' N ' ' A' ' 63' ' ' ASP . 34.4 p-10 -104.0 -6.41 21.24 Favored 'General case' 0 N--CA 1.497 1.887 0 O-C-N 121.475 -0.765 . . . . 0.0 110.389 -179.668 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 70.1 37.75 72.92 Favored Glycine 0 N--CA 1.493 2.472 0 C-N-CA 119.757 -1.211 . . . . 0.0 110.604 179.417 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 45.2 p-10 -80.22 -12.46 59.63 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 120.837 -1.39 . . . . 0.0 109.464 179.93 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 75.69 9.56 84.85 Favored Glycine 0 N--CA 1.493 2.497 0 C-N-CA 120.212 -0.995 . . . . 0.0 110.865 178.858 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 49.9 mt-10 -143.69 160.31 40.93 Favored 'General case' 0 N--CA 1.497 1.914 0 O-C-N 120.931 -1.335 . . . . 0.0 109.75 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 14.6 t -89.05 106.5 18.47 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.356 -0.84 . . . . 0.0 108.996 179.701 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 94.8 m-20 -90.89 -176.89 4.8 Favored 'General case' 0 N--CA 1.491 1.607 0 N-CA-C 109.323 -0.621 . . . . 0.0 109.323 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 2.8 t80 -60.0 -41.03 91.21 Favored 'General case' 0 C--N 1.302 -1.487 0 O-C-N 121.212 -0.93 . . . . 0.0 109.245 -179.098 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -69.94 -40.09 75.7 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.104 -0.998 . . . . 0.0 109.96 179.455 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 54.9 mm-40 -59.98 -41.41 91.92 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.088 -1.007 . . . . 0.0 109.403 -179.894 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 62.9 t80 -60.29 -44.54 95.28 Favored 'General case' 0 C--N 1.304 -1.399 0 O-C-N 121.201 -0.937 . . . . 0.0 108.753 179.58 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 11.4 tpt -63.07 -40.08 96.62 Favored 'General case' 0 N--CA 1.488 1.455 0 O-C-N 121.588 -0.695 . . . . 0.0 109.271 179.848 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -61.28 -40.8 95.45 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.37 -0.831 . . . . 0.0 109.949 -179.688 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 62.5 t80 -59.95 -45.99 90.87 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.221 -0.924 . . . . 0.0 109.872 -179.348 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 69.8 t -63.1 -40.02 87.44 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.657 0 O-C-N 121.166 -0.959 . . . . 0.0 109.493 179.929 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 47.0 t -59.95 -40.04 87.6 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.292 -0.88 . . . . 0.0 110.515 -179.173 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 98.4 mmm -59.98 -44.11 94.69 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 120.973 -1.079 . . . . 0.0 109.369 -179.164 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 54.5 t -70.01 -43.51 79.2 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.552 0 O-C-N 121.218 -0.926 . . . . 0.0 109.39 179.488 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 81' ' ' THR . . . . . 0.516 ' O ' ' SG ' ' A' ' 84' ' ' CYS . 94.6 m -60.87 -42.12 97.27 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.535 -0.728 . . . . 0.0 111.234 -179.039 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 64.5 p -69.98 -28.55 65.62 Favored 'General case' 0 C--N 1.299 -1.612 0 O-C-N 120.822 -1.174 . . . . 0.0 109.79 -179.245 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -73.23 -19.55 61.06 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.308 -0.87 . . . . 0.0 110.927 -179.437 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 84' ' ' CYS . . . . . 0.55 ' O ' ' SG ' ' A' ' 84' ' ' CYS . 19.0 p -65.93 105.4 1.31 Allowed 'General case' 0 N--CA 1.493 1.696 0 O-C-N 120.734 -1.229 . . . . 0.0 110.38 -178.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 64.3 m-70 -103.54 57.18 0.74 Allowed 'General case' 0 N--CA 1.497 1.876 0 O-C-N 121.253 -0.905 . . . . 0.0 108.634 179.326 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 77.3 mm-40 58.6 19.95 7.18 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.723 -0.611 . . . . 0.0 109.443 -179.638 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 1.4 m-85 -87.32 -10.82 51.25 Favored 'General case' 0 N--CA 1.496 1.841 0 N-CA-C 108.674 -0.862 . . . . 0.0 108.674 179.336 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 28.7 m-85 . . . . . 0 N--CA 1.491 1.603 0 O-C-N 121.435 -0.79 . . . . 0.0 109.149 179.822 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 20.1 t . . . . . 0 N--CA 1.489 1.513 0 CA-C-O 121.494 0.664 . . . . 0.0 109.883 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 39.7 tt0 -60.03 -39.89 87.45 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.374 -0.828 . . . . 0.0 109.761 -179.781 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 56.6 mt -59.99 -36.98 78.35 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.274 -0.891 . . . . 0.0 109.58 -179.322 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 83.5 tt0 -59.93 -43.94 94.63 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 120.969 -1.082 . . . . 0.0 109.099 -179.564 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 61.1 mttp -68.25 -40.04 82.08 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.026 -1.046 . . . . 0.0 109.204 179.622 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -61.84 -47.7 83.86 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.306 -0.871 . . . . 0.0 109.238 179.766 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 7' ' ' MET . . . . . . . . . . . . . 45.1 tpp -60.09 -45.7 92.06 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.234 -0.916 . . . . 0.0 108.945 179.691 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 60.5 t -69.0 -40.99 81.56 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.484 0 O-C-N 121.541 -0.725 . . . . 0.0 109.593 -179.703 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -63.29 -44.48 94.91 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.273 -0.892 . . . . 0.0 110.165 -179.595 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 56.9 tp -60.02 -49.5 77.41 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.241 -0.912 . . . . 0.0 110.036 -179.504 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 97.4 mt -66.07 -39.91 85.77 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.539 0 O-C-N 121.218 -0.926 . . . . 0.0 110.118 -179.331 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 97.4 m-20 -60.29 -40.15 89.42 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.204 -0.935 . . . . 0.0 110.781 -179.252 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 53.1 t -68.71 -41.99 82.85 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.57 0 O-C-N 120.759 -1.213 . . . . 0.0 109.39 -179.484 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 14' ' ' PHE . . . . . . . . . . . . . 79.9 t80 -60.02 -49.98 75.53 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.198 -0.939 . . . . 0.0 110.675 -179.79 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 20.0 t60 -64.87 -45.95 83.88 Favored 'General case' 0 N--CA 1.494 1.739 0 O-C-N 121.032 -1.042 . . . . 0.0 110.552 -179.127 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 11.5 tm0? -60.08 -41.25 92.04 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.218 -0.926 . . . . 0.0 110.179 -179.092 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 1.1 t80 -70.19 -39.98 74.9 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.206 -0.934 . . . . 0.0 109.373 -179.737 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 41.4 t -60.33 -40.01 89.1 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.197 -0.939 . . . . 0.0 109.589 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -76.57 -9.94 85.96 Favored Glycine 0 N--CA 1.49 2.243 0 N-CA-C 110.141 -1.184 . . . . 0.0 110.141 -179.185 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -60.15 -43.14 95.99 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.091 -1.241 . . . . 0.0 108.685 179.905 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 21' ' ' GLU . . . . . 0.456 ' OE1' ' N ' ' B' ' 22' ' ' GLY . 1.6 tm-20 -97.48 164.75 12.31 Favored 'General case' 0 N--CA 1.499 2.0 0 O-C-N 121.09 -1.007 . . . . 0.0 108.895 179.18 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 22' ' ' GLY . . . . . 0.456 ' N ' ' OE1' ' B' ' 21' ' ' GLU . . . -57.01 -24.16 49.37 Favored Glycine 0 N--CA 1.492 2.383 0 N-CA-C 110.417 -1.073 . . . . 0.0 110.417 -179.745 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 96.1 m-20 -80.13 86.18 5.6 Favored 'General case' 0 N--CA 1.497 1.885 0 O-C-N 120.881 -1.364 . . . . 0.0 110.181 -179.2 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 32.2 mtmm -70.63 -39.91 73.44 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.609 -0.682 . . . . 0.0 111.07 179.92 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 25' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -68.54 -34.28 75.57 Favored 'General case' 0 N--CA 1.496 1.873 0 O-C-N 121.279 -0.888 . . . . 0.0 112.194 -177.197 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 16.2 ptpt -149.39 169.91 19.77 Favored 'General case' 0 N--CA 1.5 2.055 0 O-C-N 120.42 -1.425 . . . . 0.0 111.579 -177.582 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 4.7 mp -110.86 139.86 45.82 Favored 'General case' 0 N--CA 1.495 1.781 0 N-CA-C 109.095 -0.706 . . . . 0.0 109.095 179.93 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 28' ' ' LYS . . . . . 0.414 ' NZ ' ' HG ' ' B' ' 30' ' ' SER . 11.7 pttp -101.56 -177.87 3.56 Favored 'General case' 0 N--CA 1.502 2.125 0 O-C-N 121.283 -0.885 . . . . 0.0 110.246 -179.777 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 25.6 pttm -59.91 -39.34 85.11 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.382 -0.824 . . . . 0.0 110.618 -178.855 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 30' ' ' SER . . . . . 0.414 ' HG ' ' NZ ' ' B' ' 28' ' ' LYS . 82.7 p -59.98 -43.87 94.86 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.012 -1.055 . . . . 0.0 109.656 -179.05 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 77.1 mt-10 -66.72 -40.64 88.48 Favored 'General case' 0 N--CA 1.488 1.451 0 O-C-N 121.155 -0.966 . . . . 0.0 109.161 179.869 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 59.8 tp -64.24 -45.49 87.94 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 121.555 -0.716 . . . . 0.0 109.281 -179.801 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 12.9 ttmm -60.02 -48.36 82.04 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.218 -0.926 . . . . 0.0 109.774 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 82.3 tt0 -62.31 -40.03 94.99 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.378 -0.826 . . . . 0.0 110.206 -179.581 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 1.4 tt -54.05 -41.85 68.59 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.249 -0.907 . . . . 0.0 109.307 -178.68 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 36' ' ' ILE . . . . . 0.477 ' O ' ' O ' ' B' ' 39' ' ' GLU . 37.3 mm -63.92 -40.49 89.25 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.658 0 O-C-N 120.897 -1.127 . . . . 0.0 109.56 179.934 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 41.5 t30 -61.07 -41.02 95.85 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 120.895 -1.128 . . . . 0.0 110.629 -179.572 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 32.7 m120 -79.08 -55.1 5.37 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.039 -1.038 . . . . 0.0 110.278 -179.033 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 39' ' ' GLU . . . . . 0.477 ' O ' ' O ' ' B' ' 36' ' ' ILE . 19.3 mp0 -109.81 171.44 7.44 Favored 'General case' 0 N--CA 1.504 2.244 0 O-C-N 121.382 -0.824 . . . . 0.0 109.061 179.451 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 45.2 mt 54.05 7.88 0.14 Allowed 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.622 -0.674 . . . . 0.0 110.049 179.556 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 41' ' ' SER . . . . . 0.454 ' H ' ' C ' ' B' ' 39' ' ' GLU . 80.9 p -64.02 -40.04 95.45 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 120.956 -1.09 . . . . 0.0 109.472 179.91 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 42' ' ' HIS . . . . . . . . . . . . . 76.8 m80 -69.96 -39.89 75.74 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.115 -0.991 . . . . 0.0 109.296 179.287 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 79.7 m-85 -69.12 -39.25 79.03 Favored 'General case' 0 C--N 1.302 -1.499 0 N-CA-C 108.718 -0.845 . . . . 0.0 108.718 -179.726 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 44' ' ' LEU . . . . . 0.433 ' O ' ' O ' ' B' ' 41' ' ' SER . 10.4 mp -115.48 118.65 33.76 Favored 'General case' 0 N--CA 1.502 2.143 0 N-CA-C 108.504 -0.924 . . . . 0.0 108.504 179.395 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 20.8 pt-20 -133.87 30.39 3.71 Favored 'General case' 0 N--CA 1.501 2.115 0 O-C-N 121.21 -0.931 . . . . 0.0 110.435 -179.628 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 61.3 tt0 -137.06 43.77 2.35 Favored 'General case' 0 N--CA 1.498 1.94 0 O-C-N 121.142 -0.974 . . . . 0.0 109.313 -179.937 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 7.2 mm -109.68 124.56 66.5 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.032 0 O-C-N 121.474 -0.766 . . . . 0.0 109.467 -179.903 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 31.5 ttmt -155.78 -35.46 0.09 Allowed 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.252 -0.905 . . . . 0.0 109.55 179.386 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 80.2 mt-10 -99.84 139.94 34.77 Favored 'General case' 0 N--CA 1.496 1.835 0 O-C-N 121.297 -0.877 . . . . 0.0 109.252 -179.753 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 50' ' ' GLN . . . . . 0.691 ' NE2' ' H ' ' B' ' 50' ' ' GLN . 0.0 OUTLIER -69.72 -21.07 63.51 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.289 -0.882 . . . . 0.0 109.825 -179.708 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 56.7 mm-40 -60.0 -39.98 87.63 Favored 'General case' 0 N--CA 1.488 1.438 0 O-C-N 121.189 -0.944 . . . . 0.0 109.186 -179.884 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 73.2 t -64.55 -47.43 89.14 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.467 0 C-N-CA 119.477 -0.889 . . . . 0.0 108.73 179.189 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 53.3 t -64.43 -47.37 89.69 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.494 0 O-C-N 121.456 -0.777 . . . . 0.0 109.081 179.717 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 7.0 t70 -60.05 -46.63 88.9 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.326 -0.859 . . . . 0.0 110.094 179.893 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 86.2 tttt -60.06 -46.04 90.88 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.047 -1.033 . . . . 0.0 109.223 -179.607 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 55.0 t -60.64 -43.97 95.94 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.47 0 O-C-N 121.363 -0.835 . . . . 0.0 109.269 179.324 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 57' ' ' MET . . . . . . . . . . . . . 53.4 ttm -59.87 -46.24 89.93 Favored 'General case' 0 N--CA 1.488 1.463 0 O-C-N 121.299 -0.875 . . . . 0.0 109.451 179.827 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 86.7 tt0 -60.38 -41.6 94.1 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.155 -0.966 . . . . 0.0 109.406 179.924 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 99.1 m -68.25 -40.24 82.01 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.292 -0.88 . . . . 0.0 109.627 179.63 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 6.1 tp -75.77 -31.09 59.35 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.363 -0.835 . . . . 0.0 110.132 -179.748 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 97.6 m-20 -58.39 125.45 23.37 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.099 -1.001 . . . . 0.0 109.545 -178.91 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 78.6 mm-40 -96.45 -34.4 11.52 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.31 -0.869 . . . . 0.0 108.857 179.408 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 63' ' ' ASP . . . . . 0.41 ' N ' ' OD1' ' B' ' 63' ' ' ASP . 34.5 p-10 -103.94 -6.4 21.32 Favored 'General case' 0 N--CA 1.496 1.854 0 O-C-N 121.551 -0.718 . . . . 0.0 110.37 -179.735 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 69.97 37.9 74.31 Favored Glycine 0 N--CA 1.494 2.51 0 C-N-CA 119.812 -1.185 . . . . 0.0 110.536 179.46 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 44.8 p-10 -80.21 -12.55 59.63 Favored 'General case' 0 N--CA 1.494 1.748 0 O-C-N 120.824 -1.398 . . . . 0.0 109.538 179.816 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 75.83 9.32 85.07 Favored Glycine 0 N--CA 1.492 2.4 0 C-N-CA 120.288 -0.958 . . . . 0.0 110.943 178.891 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 50.0 mt-10 -143.59 160.61 40.34 Favored 'General case' 0 N--CA 1.499 1.984 0 O-C-N 120.924 -1.339 . . . . 0.0 109.818 179.902 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 68' ' ' CYS . . . . . . . . . . . . . 11.5 t -88.91 106.45 18.41 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.299 -0.876 . . . . 0.0 109.033 179.705 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 95.0 m-20 -91.09 -176.81 4.72 Favored 'General case' 0 N--CA 1.493 1.688 0 N-CA-C 109.204 -0.665 . . . . 0.0 109.204 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 2.7 t80 -59.98 -41.25 91.62 Favored 'General case' 0 N--CA 1.488 1.456 0 O-C-N 121.199 -0.938 . . . . 0.0 109.258 -179.033 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -69.77 -40.03 76.32 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.198 -0.939 . . . . 0.0 110.013 179.521 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 54.5 mm-40 -59.99 -41.53 92.27 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.033 -1.042 . . . . 0.0 109.452 -179.933 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 73' ' ' PHE . . . . . . . . . . . . . 62.8 t80 -60.25 -44.44 95.26 Favored 'General case' 0 N--CA 1.488 1.43 0 O-C-N 121.199 -0.938 . . . . 0.0 108.729 179.46 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 74' ' ' MET . . . . . . . . . . . . . 12.6 tpt -63.04 -40.08 96.64 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.569 -0.707 . . . . 0.0 109.275 179.861 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -61.37 -40.84 95.79 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.34 -0.85 . . . . 0.0 110.045 -179.714 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 64.8 t80 -60.06 -45.85 91.52 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.238 -0.914 . . . . 0.0 109.777 -179.299 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 77' ' ' VAL . . . . . . . . . . . . . 71.0 t -63.15 -39.96 87.23 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.667 0 O-C-N 121.111 -0.993 . . . . 0.0 109.571 179.858 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 78' ' ' SER . . . . . . . . . . . . . 44.1 t -59.96 -40.07 87.79 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.337 -0.852 . . . . 0.0 110.384 -179.234 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 79' ' ' MET . . . . . . . . . . . . . 98.7 mmm -59.95 -44.18 94.55 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 120.895 -1.128 . . . . 0.0 109.38 -179.089 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 54.4 t -69.96 -43.48 79.37 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.576 0 O-C-N 121.145 -0.972 . . . . 0.0 109.552 179.272 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 81' ' ' THR . . . . . 0.52 ' O ' ' SG ' ' B' ' 84' ' ' CYS . 94.5 m -60.89 -42.0 97.13 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.532 -0.73 . . . . 0.0 111.233 -178.931 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 49.1 p -69.99 -28.6 65.66 Favored 'General case' 0 C--N 1.3 -1.57 0 O-C-N 120.757 -1.214 . . . . 0.0 109.887 -179.393 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -72.81 -20.04 61.22 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.36 -0.837 . . . . 0.0 110.866 -179.423 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 84' ' ' CYS . . . . . 0.542 ' O ' ' SG ' ' B' ' 84' ' ' CYS . 19.2 p -65.77 105.55 1.3 Allowed 'General case' 0 N--CA 1.494 1.756 0 O-C-N 120.754 -1.216 . . . . 0.0 110.388 -178.804 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 85' ' ' HIS . . . . . . . . . . . . . 64.3 m-70 -103.79 57.26 0.73 Allowed 'General case' 0 N--CA 1.497 1.892 0 O-C-N 121.219 -0.926 . . . . 0.0 108.56 179.305 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 77.9 mm-40 58.54 19.98 7.14 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.675 -0.641 . . . . 0.0 109.377 -179.625 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 87' ' ' PHE . . . . . . . . . . . . . 1.4 m-85 -87.38 -10.89 50.88 Favored 'General case' 0 N--CA 1.494 1.752 0 O-C-N 121.207 -0.933 . . . . 0.0 108.661 179.437 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 29.0 m-85 . . . . . 0 N--CA 1.49 1.573 0 O-C-N 121.326 -0.859 . . . . 0.0 109.216 179.815 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 18.9 p . . . . . 0 N--CA 1.499 2.003 0 CA-C-O 121.451 0.643 . . . . 0.0 109.652 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 75.9 mm-40 -63.21 -39.9 95.95 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.552 -0.717 . . . . 0.0 109.644 179.839 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -59.88 -39.92 86.93 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.342 -0.849 . . . . 0.0 109.632 -178.789 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 51.1 tp10 -60.06 -45.15 93.83 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 120.759 -1.213 . . . . 0.0 109.092 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 9.5 mtmp? -67.26 -34.16 76.86 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.149 -0.969 . . . . 0.0 109.071 179.2 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -59.91 -40.12 87.74 Favored 'General case' 0 N--CA 1.487 1.424 0 O-C-N 121.345 -0.847 . . . . 0.0 109.497 -179.413 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 4.0 tpt -60.0 -47.48 85.65 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.04 -1.037 . . . . 0.0 108.728 179.522 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 53.0 t -69.77 -40.1 78.7 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.587 0 O-C-N 121.38 -0.825 . . . . 0.0 108.946 179.679 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.95 -40.06 91.88 Favored 'General case' 0 N--CA 1.488 1.454 0 O-C-N 121.601 -0.687 . . . . 0.0 110.214 -179.763 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 22.1 tp -59.97 -49.95 75.65 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.054 -1.029 . . . . 0.0 110.01 -178.305 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 97.8 mt -70.1 -46.13 73.72 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.808 0 O-C-N 120.855 -1.153 . . . . 0.0 110.632 -179.517 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 59.9 t0 -60.73 -48.36 82.13 Favored 'General case' 0 N--CA 1.494 1.755 0 O-C-N 120.941 -1.1 . . . . 0.0 110.063 -179.156 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 54.7 t -60.48 -39.0 79.83 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.632 0 O-C-N 121.441 -0.787 . . . . 0.0 109.998 -179.889 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 26.3 t80 -59.84 -49.96 75.67 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.156 -0.965 . . . . 0.0 110.463 -178.549 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 50.0 m-70 -74.94 -41.84 58.85 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 120.68 -1.263 . . . . 0.0 111.01 -179.54 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 7.3 tt0 -59.99 -50.67 72.82 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 120.896 -1.127 . . . . 0.0 110.739 -178.633 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 9.9 m-85 -71.12 -42.6 69.03 Favored 'General case' 0 N--CA 1.495 1.794 0 O-C-N 120.995 -1.066 . . . . 0.0 109.794 -179.842 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' SER . . . . . 0.435 ' OG ' ' O ' ' A' ' 23' ' ' ASP . 19.8 t -69.98 -39.99 75.61 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.393 -0.817 . . . . 0.0 110.616 -179.321 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -70.82 -9.38 65.79 Favored Glycine 0 N--CA 1.491 2.348 0 C-N-CA 120.239 -0.981 . . . . 0.0 111.1 -178.683 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 14.5 ttp180 -60.21 -39.96 88.42 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 120.552 -1.558 . . . . 0.0 109.592 -179.642 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 99.4 mt-10 -132.83 82.96 2.03 Favored 'General case' 0 N--CA 1.499 1.983 0 O-C-N 121.336 -0.852 . . . . 0.0 109.933 -179.587 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 44.68 -163.21 0.07 OUTLIER Glycine 0 N--CA 1.493 2.491 0 N-CA-C 109.995 -1.242 . . . . 0.0 109.995 179.346 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . 0.435 ' O ' ' OG ' ' A' ' 18' ' ' SER . 74.0 m-20 50.08 39.87 20.22 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.285 -1.127 . . . . 0.0 108.714 179.934 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 14.8 ptmt -62.07 -33.78 75.05 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.536 -0.728 . . . . 0.0 111.199 -178.936 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' HIS . . . . . 0.465 ' CG ' ' O ' ' A' ' 25' ' ' HIS . 44.0 t-80 -99.27 4.83 46.69 Favored 'General case' 0 N--CA 1.499 2.005 0 O-C-N 121.002 -1.062 . . . . 0.0 110.708 -179.067 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 87.1 mttt -141.38 157.39 45.25 Favored 'General case' 0 N--CA 1.502 2.169 0 O-C-N 121.016 -1.052 . . . . 0.0 110.713 -179.028 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 85.0 mt -115.9 115.45 26.23 Favored 'General case' 0 N--CA 1.501 2.115 0 N-CA-C 108.606 -0.887 . . . . 0.0 108.606 178.818 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 54.9 tttp -95.28 169.25 10.22 Favored 'General case' 0 N--CA 1.496 1.859 0 O-C-N 121.127 -0.983 . . . . 0.0 108.947 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 7.8 ptpp? -56.47 -38.98 72.44 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 120.905 -1.122 . . . . 0.0 110.126 -179.05 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 35.1 t -60.73 -46.02 92.04 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 120.842 -1.161 . . . . 0.0 109.933 -179.814 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 8.6 mm-40 -69.64 -39.97 76.8 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.316 -0.865 . . . . 0.0 110.018 -179.443 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 8.5 tt -62.0 -40.09 94.44 Favored 'General case' 0 N--CA 1.494 1.751 0 O-C-N 121.153 -0.967 . . . . 0.0 109.712 -179.686 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 61.9 tttm -59.92 -39.94 87.19 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.354 -0.841 . . . . 0.0 110.323 -179.238 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 3.4 tm-20 -59.95 -40.0 87.53 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 120.933 -1.104 . . . . 0.0 109.372 -178.691 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.428 ' O ' ' N ' ' A' ' 39' ' ' GLU . 87.7 mt -60.26 -38.15 82.64 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.305 -0.872 . . . . 0.0 110.111 179.762 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.444 ' O ' ' O ' ' A' ' 39' ' ' GLU . 47.2 mm -60.01 -50.05 81.63 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.797 0 O-C-N 121.36 -0.838 . . . . 0.0 111.153 -177.925 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . 0.438 ' O ' ' OG ' ' A' ' 41' ' ' SER . 61.5 m-20 -61.71 -40.04 93.63 Favored 'General case' 0 N--CA 1.494 1.772 0 O-C-N 120.508 -1.37 . . . . 0.0 110.023 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 28.6 t-20 -79.88 -41.95 25.17 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.009 -1.057 . . . . 0.0 110.344 179.912 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . 0.444 ' O ' ' O ' ' A' ' 36' ' ' ILE . 87.9 tt0 -122.04 157.09 32.15 Favored 'General case' 0 N--CA 1.502 2.129 0 O-C-N 121.451 -0.78 . . . . 0.0 110.438 -178.653 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 9.1 mt 58.57 20.25 7.44 Favored 'General case' 0 N--CA 1.494 1.74 0 O-C-N 121.713 -0.617 . . . . 0.0 110.278 179.068 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' SER . . . . . 0.438 ' OG ' ' O ' ' A' ' 37' ' ' ASN . 55.1 m -70.39 -41.26 73.25 Favored 'General case' 0 C--N 1.3 -1.572 0 O-C-N 121.001 -1.062 . . . . 0.0 109.907 179.788 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 15.7 t60 -97.21 -43.27 7.43 Favored 'General case' 0 N--CA 1.497 1.903 0 O-C-N 121.264 -0.897 . . . . 0.0 110.889 -178.719 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -59.97 -42.48 94.24 Favored 'General case' 0 N--CA 1.495 1.78 0 O-C-N 120.966 -1.084 . . . . 0.0 110.174 -179.24 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 47.6 tp -95.2 150.67 19.97 Favored 'General case' 0 N--CA 1.498 1.926 0 O-C-N 120.994 -1.066 . . . . 0.0 108.996 -179.596 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . 0.447 ' OE1' ' O ' ' A' ' 46' ' ' GLU . 12.4 tm-20 -54.05 137.98 38.53 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.173 -0.954 . . . . 0.0 109.067 -179.414 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . 0.447 ' O ' ' OE1' ' A' ' 45' ' ' GLU . 51.5 mt-10 -63.66 133.62 53.96 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.251 -0.905 . . . . 0.0 109.997 -179.207 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . 0.418 HG22 HD11 ' A' ' 47' ' ' ILE . 87.2 mt -108.23 124.89 64.87 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.957 0 O-C-N 121.449 -0.782 . . . . 0.0 109.24 179.361 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 32.2 ttmt -107.2 -28.5 9.9 Favored 'General case' 0 N--CA 1.496 1.844 0 O-C-N 121.579 -0.701 . . . . 0.0 109.457 -179.897 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . 0.462 ' N ' ' CD ' ' A' ' 49' ' ' GLU . 1.0 OUTLIER -102.12 135.74 43.17 Favored 'General case' 0 N--CA 1.496 1.858 0 O-C-N 121.38 -0.825 . . . . 0.0 109.909 -179.334 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 94.0 mt-30 -70.07 -19.39 63.28 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.612 -0.68 . . . . 0.0 109.544 179.736 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 88.9 tt0 -59.92 -39.48 85.61 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.456 -0.778 . . . . 0.0 109.666 -179.4 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 73.9 t -60.08 -40.12 82.38 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.489 0 O-C-N 121.128 -0.982 . . . . 0.0 109.052 -179.39 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 54.5 t -65.93 -42.3 91.63 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.544 0 O-C-N 121.14 -0.975 . . . . 0.0 109.351 179.571 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 79.2 m-20 -60.1 -44.1 95.09 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.233 -0.917 . . . . 0.0 110.365 -179.598 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . 0.46 ' CB ' ' HZ1' ' A' ' 55' ' ' LYS . 0.1 OUTLIER -62.7 -40.65 97.79 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.104 -0.997 . . . . 0.0 109.884 -179.57 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 54.0 t -65.09 -40.01 87.48 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.547 0 O-C-N 121.205 -0.935 . . . . 0.0 109.654 -179.559 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 88.4 mmm -60.07 -41.33 92.18 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.089 -1.007 . . . . 0.0 109.877 -179.818 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 84.8 tt0 -61.0 -40.99 95.62 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.292 -0.88 . . . . 0.0 109.755 -179.52 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 94.1 m -69.02 -40.04 78.9 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.355 -0.84 . . . . 0.0 109.868 -179.769 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -73.76 -4.09 32.47 Favored 'General case' 0 N--CA 1.494 1.764 0 O-C-N 121.346 -0.846 . . . . 0.0 110.286 -179.243 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . 0.487 ' OD1' ' N ' ' A' ' 64' ' ' GLY . 60.4 t0 -72.48 68.28 0.79 Allowed 'General case' 0 N--CA 1.49 1.549 0 O-C-N 120.72 -1.237 . . . . 0.0 109.289 -179.801 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 53.1 tp10 -69.76 -39.81 76.48 Favored 'General case' 0 N--CA 1.494 1.74 0 O-C-N 121.432 -0.793 . . . . 0.0 110.427 -179.706 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 51.5 p-10 -87.76 -0.64 57.19 Favored 'General case' 0 N--CA 1.5 2.039 0 O-C-N 120.894 -1.129 . . . . 0.0 110.91 -178.683 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . 0.487 ' N ' ' OD1' ' A' ' 61' ' ' ASP . . . 70.9 22.79 78.38 Favored Glycine 0 N--CA 1.494 2.513 0 O-C-N 120.832 -1.167 . . . . 0.0 110.903 178.656 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . 0.417 ' OD2' ' O ' ' A' ' 67' ' ' GLU . 31.2 p-10 -84.43 -14.42 49.36 Favored 'General case' 0 N--CA 1.498 1.935 0 O-C-N 120.742 -1.446 . . . . 0.0 110.478 -179.556 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 89.84 -10.0 75.29 Favored Glycine 0 N--CA 1.498 2.813 0 O-C-N 120.719 -1.238 . . . . 0.0 110.659 179.099 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . 0.417 ' O ' ' OD2' ' A' ' 65' ' ' ASP . 2.2 pm0 -144.46 167.16 23.14 Favored 'General case' 0 N--CA 1.498 1.947 0 O-C-N 120.917 -1.343 . . . . 0.0 109.14 179.346 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 2.2 p -88.73 117.16 27.51 Favored 'General case' 0 N--CA 1.496 1.841 0 O-C-N 120.976 -1.078 . . . . 0.0 110.106 -178.721 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 86.2 m-20 -91.42 -173.13 3.49 Favored 'General case' 0 N--CA 1.492 1.663 0 CA-C-O 121.69 0.757 . . . . 0.0 110.05 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 66.7 t80 -60.08 -49.91 75.79 Favored 'General case' 0 N--CA 1.486 1.362 0 CA-C-O 121.43 0.633 . . . . 0.0 109.418 179.863 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 12.1 tp-100 -60.13 -47.46 85.82 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.434 -0.791 . . . . 0.0 110.13 -179.906 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 94.6 mt-10 -69.26 -35.62 76.28 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 121.113 -0.992 . . . . 0.0 110.48 -178.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 87.4 t80 -59.98 -43.85 94.85 Favored 'General case' 0 C--N 1.299 -1.608 0 O-C-N 121.016 -1.052 . . . . 0.0 109.248 -179.51 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 11.1 tpt -61.33 -39.97 92.5 Favored 'General case' 0 C--N 1.301 -1.543 0 O-C-N 121.099 -1.001 . . . . 0.0 109.236 179.031 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . 0.406 ' O ' ' OG ' ' A' ' 78' ' ' SER . . . -60.21 -37.25 79.7 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.648 -0.657 . . . . 0.0 110.379 -179.388 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 64.9 t80 -60.08 -40.65 90.26 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 120.974 -1.079 . . . . 0.0 109.893 -179.078 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 68.1 t -60.92 -39.99 83.88 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.535 0 O-C-N 121.098 -1.001 . . . . 0.0 108.849 179.797 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 78' ' ' SER . . . . . 0.407 ' HG ' ' N ' ' A' ' 79' ' ' MET . 78.2 p -61.91 -40.64 96.17 Favored 'General case' 0 N--CA 1.487 1.412 0 O-C-N 121.477 -0.764 . . . . 0.0 110.0 -179.541 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 79' ' ' MET . . . . . 0.407 ' N ' ' HG ' ' A' ' 78' ' ' SER . 61.7 mtt -60.45 -46.39 90.24 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.024 -1.048 . . . . 0.0 109.855 -179.882 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 87.9 t -69.6 -43.61 80.23 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.479 0 O-C-N 121.121 -0.987 . . . . 0.0 108.892 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 94.2 m -63.87 -40.04 95.62 Favored 'General case' 0 C--N 1.304 -1.38 0 O-C-N 121.397 -0.815 . . . . 0.0 108.876 179.686 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 94.6 m -63.34 -40.0 96.09 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.33 -0.856 . . . . 0.0 109.405 179.765 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -63.3 -39.85 95.71 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.249 -0.907 . . . . 0.0 109.693 -179.738 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 60.8 m -65.27 102.77 0.7 Allowed 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.144 -0.972 . . . . 0.0 109.24 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 85' ' ' HIS . . . . . 0.404 ' CG ' ' H ' ' A' ' 86' ' ' GLU . 14.5 t-160 -99.71 -120.84 0.15 Allowed 'General case' 0 N--CA 1.498 1.958 0 O-C-N 121.212 -0.93 . . . . 0.0 109.762 -179.722 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . 0.404 ' H ' ' CG ' ' A' ' 85' ' ' HIS . 91.4 mt-10 -89.23 33.49 0.81 Allowed 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.156 -0.965 . . . . 0.0 109.079 179.792 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 31.0 t80 -59.94 -46.15 90.31 Favored 'General case' 0 C--N 1.3 -1.555 0 O-C-N 121.452 -0.78 . . . . 0.0 109.928 -178.806 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 11.8 p90 . . . . . 0 N--CA 1.5 2.048 0 O-C-N 121.029 -1.044 . . . . 0.0 109.595 179.752 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 16.9 p . . . . . 0 N--CA 1.5 2.039 0 CA-C-O 121.528 0.68 . . . . 0.0 109.609 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 75.8 mm-40 -63.25 -39.85 95.77 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.426 -0.796 . . . . 0.0 109.647 179.892 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -59.92 -39.8 86.68 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.38 -0.825 . . . . 0.0 109.734 -178.934 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 51.4 tp10 -60.04 -45.8 91.62 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 120.804 -1.185 . . . . 0.0 109.045 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 9.2 mtmp? -66.7 -34.22 77.37 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.191 -0.943 . . . . 0.0 109.079 179.106 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -59.88 -40.29 88.22 Favored 'General case' 0 N--CA 1.488 1.447 0 O-C-N 121.349 -0.844 . . . . 0.0 109.56 -179.449 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 7' ' ' MET . . . . . . . . . . . . . 3.9 tpt -60.09 -47.54 85.46 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.073 -1.017 . . . . 0.0 108.629 179.627 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 53.7 t -69.59 -40.09 79.12 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.553 0 O-C-N 121.418 -0.801 . . . . 0.0 108.964 179.7 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.91 -39.94 91.22 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.438 -0.789 . . . . 0.0 110.276 -179.749 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 25.9 tp -59.88 -49.99 75.55 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.233 -0.917 . . . . 0.0 109.987 -178.279 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 11' ' ' ILE . . . . . 0.43 HG22 HD11 ' B' ' 11' ' ' ILE . 96.7 mt -70.06 -46.88 71.28 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.877 0 O-C-N 120.869 -1.145 . . . . 0.0 110.69 -179.555 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 59.8 t0 -60.13 -48.35 82.11 Favored 'General case' 0 N--CA 1.496 1.836 0 O-C-N 121.017 -1.052 . . . . 0.0 109.991 -179.293 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 54.0 t -60.51 -39.59 81.71 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.73 0 O-C-N 121.463 -0.773 . . . . 0.0 109.865 -179.715 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 14' ' ' PHE . . . . . 0.4 ' CD1' ' C ' ' B' ' 14' ' ' PHE . 27.7 t80 -59.38 -49.99 75.69 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.192 -0.942 . . . . 0.0 110.497 -178.565 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 49.5 m-70 -74.9 -42.0 58.63 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 120.793 -1.192 . . . . 0.0 110.975 -179.543 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 7.3 tt0 -60.02 -50.51 73.45 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 120.788 -1.195 . . . . 0.0 110.74 -178.59 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 9.6 m-85 -71.13 -42.46 69.16 Favored 'General case' 0 N--CA 1.495 1.786 0 O-C-N 120.905 -1.122 . . . . 0.0 109.893 -179.808 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 18' ' ' SER . . . . . 0.452 ' OG ' ' O ' ' B' ' 23' ' ' ASP . 20.6 t -70.04 -40.13 75.31 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.43 -0.794 . . . . 0.0 110.59 -179.369 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -70.62 -9.56 65.46 Favored Glycine 0 N--CA 1.49 2.258 0 C-N-CA 120.177 -1.011 . . . . 0.0 111.085 -178.74 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 14.3 ttp180 -60.06 -40.03 88.06 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 120.516 -1.579 . . . . 0.0 109.714 -179.46 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 99.2 mt-10 -133.04 83.42 2.06 Favored 'General case' 0 N--CA 1.499 1.979 0 O-C-N 121.387 -0.821 . . . . 0.0 109.683 -179.527 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . 44.26 -162.99 0.06 OUTLIER Glycine 0 N--CA 1.494 2.502 0 N-CA-C 110.214 -1.154 . . . . 0.0 110.214 179.498 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 23' ' ' ASP . . . . . 0.452 ' O ' ' OG ' ' B' ' 18' ' ' SER . 73.6 m-20 50.08 39.96 20.46 Favored 'General case' 0 N--CA 1.493 1.718 0 O-C-N 121.339 -1.095 . . . . 0.0 108.674 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 15.3 ptmt -62.3 -33.52 74.83 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.627 -0.67 . . . . 0.0 111.129 -178.8 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 25' ' ' HIS . . . . . 0.463 ' O ' ' CG ' ' B' ' 25' ' ' HIS . 43.7 t-80 -99.44 4.48 46.17 Favored 'General case' 0 N--CA 1.499 1.981 0 O-C-N 121.031 -1.043 . . . . 0.0 110.646 -179.007 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 89.3 mttt -141.05 157.87 44.71 Favored 'General case' 0 N--CA 1.502 2.161 0 O-C-N 121.03 -1.044 . . . . 0.0 110.666 -179.128 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 85.2 mt -116.28 115.76 26.53 Favored 'General case' 0 N--CA 1.5 2.064 0 N-CA-C 108.672 -0.862 . . . . 0.0 108.672 178.838 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 54.0 tttp -95.69 169.25 10.15 Favored 'General case' 0 N--CA 1.497 1.896 0 O-C-N 121.133 -0.979 . . . . 0.0 108.806 -179.934 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 7.5 ptpp? -56.3 -39.0 72.01 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 120.931 -1.106 . . . . 0.0 110.081 -179.161 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 33.6 t -60.63 -46.47 90.16 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 120.809 -1.182 . . . . 0.0 109.956 -179.76 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 8.8 mm-40 -69.38 -40.0 77.67 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.256 -0.903 . . . . 0.0 110.086 -179.299 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 8.3 tt -62.1 -39.99 94.35 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.279 -0.888 . . . . 0.0 109.678 -179.561 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 62.5 tttm -60.05 -39.98 87.85 Favored 'General case' 0 N--CA 1.494 1.753 0 O-C-N 121.324 -0.86 . . . . 0.0 110.363 -179.139 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 3.4 tm-20 -59.97 -40.03 87.71 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 120.822 -1.173 . . . . 0.0 109.386 -178.822 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 35' ' ' LEU . . . . . 0.415 ' O ' ' N ' ' B' ' 39' ' ' GLU . 85.1 mt -60.16 -38.2 82.44 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.33 -0.856 . . . . 0.0 110.03 179.64 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 36' ' ' ILE . . . . . 0.439 ' O ' ' O ' ' B' ' 39' ' ' GLU . 45.0 mm -59.97 -49.84 82.41 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.782 0 O-C-N 121.329 -0.857 . . . . 0.0 111.153 -178.06 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 37' ' ' ASN . . . . . 0.457 ' O ' ' OG ' ' B' ' 41' ' ' SER . 61.1 m-20 -61.88 -40.07 94.14 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 120.474 -1.391 . . . . 0.0 110.037 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 28.8 t-20 -79.87 -41.77 25.58 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.028 -1.045 . . . . 0.0 110.42 179.845 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 39' ' ' GLU . . . . . 0.439 ' O ' ' O ' ' B' ' 36' ' ' ILE . 87.5 tt0 -122.11 156.76 32.92 Favored 'General case' 0 N--CA 1.502 2.165 0 O-C-N 121.482 -0.761 . . . . 0.0 110.601 -178.641 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 9.5 mt 58.64 19.93 7.22 Favored 'General case' 0 N--CA 1.494 1.74 0 CA-C-O 121.228 0.537 . . . . 0.0 110.31 179.235 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 41' ' ' SER . . . . . 0.457 ' OG ' ' O ' ' B' ' 37' ' ' ASN . 51.6 m -70.0 -41.18 74.71 Favored 'General case' 0 C--N 1.3 -1.567 0 O-C-N 121.047 -1.033 . . . . 0.0 109.952 179.721 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 42' ' ' HIS . . . . . . . . . . . . . 16.0 t60 -97.24 -43.53 7.31 Favored 'General case' 0 N--CA 1.498 1.96 0 O-C-N 121.17 -0.956 . . . . 0.0 110.838 -178.845 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -59.98 -42.52 94.37 Favored 'General case' 0 N--CA 1.495 1.8 0 O-C-N 120.966 -1.084 . . . . 0.0 110.064 -179.123 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 44.7 tp -94.93 151.06 19.51 Favored 'General case' 0 N--CA 1.497 1.879 0 O-C-N 120.947 -1.096 . . . . 0.0 108.992 -179.767 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 45' ' ' GLU . . . . . 0.441 ' OE1' ' O ' ' B' ' 46' ' ' GLU . 12.1 tm-20 -54.46 137.97 41.32 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.067 -1.021 . . . . 0.0 109.056 -179.414 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 46' ' ' GLU . . . . . 0.441 ' O ' ' OE1' ' B' ' 45' ' ' GLU . 50.9 mt-10 -63.42 133.53 54.14 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.318 -0.864 . . . . 0.0 110.04 -179.084 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 88.6 mt -108.41 124.62 64.94 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.894 0 O-C-N 121.507 -0.746 . . . . 0.0 109.33 179.412 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 32.5 ttmt -107.03 -28.27 10.13 Favored 'General case' 0 N--CA 1.495 1.779 0 O-C-N 121.507 -0.746 . . . . 0.0 109.556 -179.809 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 49' ' ' GLU . . . . . 0.471 ' CD ' ' N ' ' B' ' 49' ' ' GLU . 1.0 OUTLIER -102.42 135.5 43.92 Favored 'General case' 0 N--CA 1.497 1.875 0 O-C-N 121.453 -0.779 . . . . 0.0 109.888 -179.217 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 94.3 mt-30 -69.99 -19.28 63.35 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.591 -0.693 . . . . 0.0 109.436 179.904 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 89.1 tt0 -59.78 -39.74 85.89 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.453 -0.779 . . . . 0.0 109.695 -179.351 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 70.8 t -60.05 -40.13 82.33 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.526 0 O-C-N 121.172 -0.955 . . . . 0.0 108.974 -179.42 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 54.7 t -65.9 -42.24 91.59 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.56 0 O-C-N 121.235 -0.915 . . . . 0.0 109.301 179.538 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 78.7 m-20 -60.31 -44.26 95.6 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.243 -0.91 . . . . 0.0 110.197 -179.486 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 55' ' ' LYS . . . . . 0.501 ' CB ' ' HZ1' ' B' ' 55' ' ' LYS . 0.1 OUTLIER -62.58 -40.2 96.13 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.129 -0.982 . . . . 0.0 109.86 -179.48 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 53.6 t -65.28 -39.99 87.16 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.482 0 O-C-N 121.234 -0.916 . . . . 0.0 109.774 -179.596 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 57' ' ' MET . . . . . . . . . . . . . 88.7 mmm -60.22 -41.29 92.76 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.028 -1.045 . . . . 0.0 109.878 -179.696 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 82.1 tt0 -60.97 -41.09 95.74 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.112 -0.992 . . . . 0.0 109.637 -179.47 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 94.4 m -68.72 -40.07 80.13 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.38 -0.825 . . . . 0.0 109.737 -179.622 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 2.5 mm? -74.08 -4.05 33.2 Favored 'General case' 0 N--CA 1.495 1.814 0 O-C-N 121.287 -0.883 . . . . 0.0 110.378 -179.063 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 61' ' ' ASP . . . . . 0.493 ' OD1' ' N ' ' B' ' 64' ' ' GLY . 58.7 t0 -72.49 68.03 0.78 Allowed 'General case' 0 N--CA 1.492 1.672 0 O-C-N 120.734 -1.229 . . . . 0.0 109.236 179.833 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 52.7 tp10 -69.5 -39.58 77.5 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.318 -0.864 . . . . 0.0 110.365 -179.66 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 51.9 p-10 -87.77 -1.01 57.69 Favored 'General case' 0 N--CA 1.498 1.94 0 O-C-N 120.949 -1.095 . . . . 0.0 110.889 -178.786 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 64' ' ' GLY . . . . . 0.493 ' N ' ' OD1' ' B' ' 61' ' ' ASP . . . 71.39 22.4 78.59 Favored Glycine 0 N--CA 1.494 2.551 0 O-C-N 120.745 -1.222 . . . . 0.0 110.994 178.578 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 32.4 p-10 -84.1 -14.35 50.6 Favored 'General case' 0 N--CA 1.497 1.896 0 O-C-N 120.856 -1.379 . . . . 0.0 110.504 -179.423 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 90.06 -10.49 73.86 Favored Glycine 0 N--CA 1.498 2.81 0 O-C-N 120.771 -1.205 . . . . 0.0 110.721 178.942 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 2.3 pm0 -143.86 167.57 22.0 Favored 'General case' 0 N--CA 1.498 1.959 0 O-C-N 120.911 -1.346 . . . . 0.0 109.182 179.26 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 68' ' ' CYS . . . . . . . . . . . . . 2.0 p -88.98 117.21 27.84 Favored 'General case' 0 N--CA 1.498 1.936 0 O-C-N 120.969 -1.082 . . . . 0.0 110.113 -178.803 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 85.1 m-20 -91.22 -172.63 3.36 Favored 'General case' 0 N--CA 1.491 1.606 0 CA-C-O 121.698 0.761 . . . . 0.0 110.154 179.842 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 65.5 t80 -60.22 -49.99 75.45 Favored 'General case' 0 N--CA 1.488 1.468 0 CA-C-O 121.562 0.696 . . . . 0.0 109.462 179.643 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 12.1 tp-100 -60.38 -47.66 85.09 Favored 'General case' 0 N--CA 1.493 1.675 0 O-C-N 121.414 -0.804 . . . . 0.0 110.075 -179.827 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 94.4 mt-10 -68.54 -36.01 78.23 Favored 'General case' 0 N--CA 1.494 1.759 0 O-C-N 121.306 -0.871 . . . . 0.0 110.647 -179.312 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 73' ' ' PHE . . . . . . . . . . . . . 86.1 t80 -59.95 -43.87 94.73 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.044 -1.035 . . . . 0.0 109.346 -179.456 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 74' ' ' MET . . . . . . . . . . . . . 11.0 tpt -61.42 -40.0 92.82 Favored 'General case' 0 C--N 1.301 -1.504 0 O-C-N 121.13 -0.981 . . . . 0.0 109.072 179.076 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 75' ' ' ALA . . . . . 0.417 ' O ' ' OG ' ' B' ' 78' ' ' SER . . . -60.18 -37.31 79.82 Favored 'General case' 0 N--CA 1.494 1.754 0 O-C-N 121.582 -0.699 . . . . 0.0 110.515 -179.481 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 65.6 t80 -60.13 -40.36 89.48 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.084 -1.01 . . . . 0.0 109.972 -179.101 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 77' ' ' VAL . . . . . . . . . . . . . 63.7 t -60.88 -40.12 84.24 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.513 0 O-C-N 121.114 -0.991 . . . . 0.0 108.794 179.698 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 78' ' ' SER . . . . . 0.417 ' OG ' ' O ' ' B' ' 75' ' ' ALA . 67.4 p -61.95 -40.49 95.71 Favored 'General case' 0 N--CA 1.487 1.394 0 O-C-N 121.433 -0.792 . . . . 0.0 109.993 -179.445 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 79' ' ' MET . . . . . . . . . . . . . 61.6 mtt -60.53 -46.72 89.14 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 120.901 -1.124 . . . . 0.0 109.9 -179.883 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 95.9 t -69.4 -43.41 80.95 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.518 0 O-C-N 121.255 -0.903 . . . . 0.0 108.852 179.902 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 94.3 m -64.01 -39.96 95.28 Favored 'General case' 0 C--N 1.304 -1.389 0 O-C-N 121.427 -0.795 . . . . 0.0 109.043 179.602 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 94.3 m -63.36 -40.0 96.07 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.314 -0.866 . . . . 0.0 109.548 179.552 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -63.07 -39.9 96.1 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.258 -0.901 . . . . 0.0 109.643 -179.809 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 84' ' ' CYS . . . . . . . . . . . . . 60.0 m -65.74 102.97 0.81 Allowed 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.266 -0.896 . . . . 0.0 109.233 -179.794 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 85' ' ' HIS . . . . . 0.419 ' CG ' ' H ' ' B' ' 86' ' ' GLU . 14.6 t-160 -100.0 -121.24 0.15 Allowed 'General case' 0 N--CA 1.497 1.922 0 O-C-N 121.269 -0.894 . . . . 0.0 109.742 -179.715 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 86' ' ' GLU . . . . . 0.419 ' H ' ' CG ' ' B' ' 85' ' ' HIS . 91.1 mt-10 -88.59 33.5 0.76 Allowed 'General case' 0 N--CA 1.495 1.804 0 O-C-N 121.302 -0.874 . . . . 0.0 109.021 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 87' ' ' PHE . . . . . . . . . . . . . 30.7 t80 -60.01 -46.23 90.15 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.408 -0.808 . . . . 0.0 109.865 -178.788 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 11.2 p90 . . . . . 0 N--CA 1.5 2.069 0 O-C-N 121.005 -1.06 . . . . 0.0 109.654 179.793 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 47.5 t . . . . . 0 N--CA 1.499 1.979 0 N-CA-C 109.186 -0.672 . . . . 0.0 109.186 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 2' ' ' GLU . . . . . 0.424 ' OE1' ' N ' ' A' ' 2' ' ' GLU . 58.5 mp0 -59.99 -40.1 88.01 Favored 'General case' 0 C--N 1.303 -1.454 0 O-C-N 121.462 -0.774 . . . . 0.0 109.305 -179.832 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -61.65 -32.67 72.85 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.346 -0.846 . . . . 0.0 110.337 -179.48 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -60.11 -40.38 89.5 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 120.794 -1.191 . . . . 0.0 108.685 -179.789 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 26.1 mttp -70.0 -26.65 64.17 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.239 -0.913 . . . . 0.0 109.705 179.216 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -60.03 -43.62 95.17 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.166 -0.958 . . . . 0.0 109.663 -179.387 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 66.4 mtt -60.0 -40.02 87.76 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 120.746 -1.221 . . . . 0.0 108.853 179.322 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 77.2 t -69.98 -39.84 77.91 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.588 0 O-C-N 121.46 -0.775 . . . . 0.0 109.885 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.32 -46.53 88.35 Favored 'General case' 0 N--CA 1.494 1.761 0 O-C-N 121.18 -0.95 . . . . 0.0 110.479 -178.456 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -60.01 -40.64 89.96 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 120.768 -1.207 . . . . 0.0 108.78 179.674 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . 0.406 HG22 HD11 ' A' ' 11' ' ' ILE . 86.8 mt -69.56 -41.92 80.52 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.67 0 O-C-N 121.084 -1.01 . . . . 0.0 109.61 179.573 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 11.5 t0 -64.28 -47.06 80.99 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.268 -0.895 . . . . 0.0 109.639 -179.772 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 53.4 t -63.74 -41.51 92.83 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.479 0 O-C-N 121.25 -0.906 . . . . 0.0 108.914 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 59.3 t80 -59.97 -50.03 75.35 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.413 -0.805 . . . . 0.0 109.481 179.706 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 82.9 t60 -70.26 -44.27 68.81 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.63 -0.669 . . . . 0.0 111.322 -179.247 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 30.1 tt0 -60.01 -48.51 81.4 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 120.975 -1.078 . . . . 0.0 110.467 -178.625 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 4.4 m-85 -70.02 -36.21 74.91 Favored 'General case' 0 N--CA 1.494 1.755 0 O-C-N 121.149 -0.97 . . . . 0.0 110.47 -179.589 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 19.0 t -59.79 -39.98 86.79 Favored 'General case' 0 C--N 1.301 -1.531 0 O-C-N 120.729 -1.232 . . . . 0.0 109.908 -178.679 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -81.74 -7.27 88.28 Favored Glycine 0 N--CA 1.493 2.451 0 C-N-CA 120.107 -1.044 . . . . 0.0 111.149 -179.664 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . 0.556 ' HE ' ' C ' ' A' ' 20' ' ' ARG . 0.0 OUTLIER -70.03 -29.31 66.32 Favored 'General case' 0 N--CA 1.496 1.869 0 O-C-N 120.654 -1.498 . . . . 0.0 110.709 -178.774 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 86.4 tt0 -108.27 -87.75 0.49 Allowed 'General case' 0 N--CA 1.5 2.037 0 O-C-N 121.193 -0.942 . . . . 0.0 110.144 -179.177 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -93.09 -154.78 31.46 Favored Glycine 0 N--CA 1.495 2.573 0 N-CA-C 109.831 -1.308 . . . . 0.0 109.831 -179.585 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . 0.531 ' OD1' ' CE1' ' A' ' 25' ' ' HIS . 34.6 p-10 -74.25 165.29 25.43 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.327 -1.102 . . . . 0.0 109.139 179.933 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . 0.408 ' H ' ' CD ' ' A' ' 24' ' ' LYS . 0.0 OUTLIER -84.96 105.4 15.7 Favored 'General case' 0 N--CA 1.496 1.832 0 O-C-N 121.076 -1.015 . . . . 0.0 109.75 -178.903 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' HIS . . . . . 0.667 ' ND1' ' H ' ' A' ' 26' ' ' LYS . 8.0 p-80 -169.64 -48.56 0.02 OUTLIER 'General case' 0 N--CA 1.494 1.732 0 O-C-N 121.095 -1.003 . . . . 0.0 109.697 179.208 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . 0.667 ' H ' ' ND1' ' A' ' 25' ' ' HIS . 47.8 mtpt -141.54 157.24 45.38 Favored 'General case' 0 N--CA 1.499 1.982 0 O-C-N 121.421 -0.799 . . . . 0.0 108.87 179.521 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -107.57 139.0 42.77 Favored 'General case' 0 N--CA 1.5 2.031 0 O-C-N 121.354 -0.842 . . . . 0.0 109.034 179.741 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 44.0 mmtm -89.36 169.06 11.73 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.517 -0.74 . . . . 0.0 109.055 -179.874 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 61.0 pttt -60.04 -31.21 69.75 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.192 -0.943 . . . . 0.0 109.666 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' SER . . . . . 0.495 ' HG ' ' N ' ' A' ' 31' ' ' GLU . 88.6 p -60.03 -39.84 87.28 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.238 -0.914 . . . . 0.0 109.784 -179.825 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . 0.495 ' N ' ' HG ' ' A' ' 30' ' ' SER . 98.0 mt-10 -67.6 -31.52 71.62 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.1 -1.0 . . . . 0.0 110.02 -179.536 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -60.1 -43.8 95.3 Favored 'General case' 0 N--CA 1.497 1.882 0 O-C-N 121.195 -0.941 . . . . 0.0 109.135 -179.545 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 61.0 tttp -59.97 -45.3 93.12 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.282 -0.886 . . . . 0.0 110.202 -179.574 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -69.28 -38.47 78.38 Favored 'General case' 0 N--CA 1.494 1.748 0 O-C-N 121.128 -0.983 . . . . 0.0 110.192 179.762 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 28.4 tp -59.97 -41.02 91.05 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.312 -0.867 . . . . 0.0 109.904 -178.603 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 96.6 mt -67.22 -41.12 86.37 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.72 0 O-C-N 121.005 -1.059 . . . . 0.0 110.539 -179.302 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 59.7 t30 -68.05 -35.13 77.73 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.16 -0.963 . . . . 0.0 110.125 -179.493 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 16.3 t-20 -59.94 -45.07 93.8 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.227 -0.921 . . . . 0.0 111.07 -178.459 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . 0.4 ' HG3' ' H ' ' A' ' 40' ' ' LEU . 2.3 pt-20 -108.73 -93.31 0.42 Allowed 'General case' 0 N--CA 1.504 2.244 0 O-C-N 121.062 -1.024 . . . . 0.0 111.077 -178.675 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.4 ' H ' ' HG3' ' A' ' 39' ' ' GLU . 70.6 mt -50.37 94.89 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.369 -0.832 . . . . 0.0 111.155 -178.195 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 94.2 p -109.9 -58.84 2.0 Favored 'General case' 0 N--CA 1.496 1.83 0 N-CA-C 108.076 -1.083 . . . . 0.0 108.076 178.047 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 86.0 t60 -68.05 -40.09 82.9 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.565 -0.709 . . . . 0.0 110.263 179.439 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 47.1 m-85 -59.91 -40.07 87.55 Favored 'General case' 0 N--CA 1.494 1.742 0 O-C-N 121.139 -0.976 . . . . 0.0 110.364 -178.836 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -115.97 109.81 18.08 Favored 'General case' 0 N--CA 1.503 2.185 0 O-C-N 121.26 -0.9 . . . . 0.0 108.864 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . 0.438 ' CD ' ' N ' ' A' ' 45' ' ' GLU . 3.5 pm0 -119.94 -5.97 10.06 Favored 'General case' 0 N--CA 1.499 2.016 0 O-C-N 121.458 -0.776 . . . . 0.0 109.573 179.197 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . 0.411 ' OE1' ' N ' ' A' ' 46' ' ' GLU . 32.9 mp0 -84.0 -9.88 58.32 Favored 'General case' 0 N--CA 1.495 1.784 0 O-C-N 121.157 -0.965 . . . . 0.0 110.085 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 99.5 mt -79.49 91.83 1.58 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.615 0 O-C-N 120.767 -1.208 . . . . 0.0 109.746 -179.414 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 97.4 mttt -124.75 -29.55 3.4 Favored 'General case' 0 N--CA 1.496 1.852 0 N-CA-C 107.961 -1.125 . . . . 0.0 107.961 178.483 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 68.2 mm-40 -104.84 137.32 42.8 Favored 'General case' 0 N--CA 1.493 1.68 0 N-CA-C 108.635 -0.876 . . . . 0.0 108.635 179.462 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 4.5 pp0? -61.27 -21.33 63.82 Favored 'General case' 0 C--N 1.301 -1.543 0 O-C-N 121.171 -0.956 . . . . 0.0 109.703 -179.882 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 89.1 tt0 -60.02 -41.49 92.27 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.248 -0.908 . . . . 0.0 110.134 -178.617 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 55.1 t -60.04 -41.77 87.49 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.572 0 O-C-N 120.928 -1.108 . . . . 0.0 109.369 179.846 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 63.4 t -60.47 -42.88 92.82 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.45 0 O-C-N 121.17 -0.956 . . . . 0.0 109.581 -179.855 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 98.6 m-20 -62.73 -41.84 99.36 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.055 -1.028 . . . . 0.0 109.915 -179.907 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 61.3 tttm -66.63 -44.64 81.46 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.119 -0.988 . . . . 0.0 109.286 179.752 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 55.1 t -70.03 -40.95 79.1 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.583 0 O-C-N 121.582 -0.699 . . . . 0.0 110.052 179.871 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 23.1 ttt -60.33 -42.36 95.49 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.305 -0.872 . . . . 0.0 110.784 -179.111 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -69.6 -39.95 76.95 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.114 -0.991 . . . . 0.0 110.677 -179.051 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 93.7 m -63.28 -41.58 99.02 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.202 -0.936 . . . . 0.0 110.713 -179.525 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -71.87 -39.98 69.27 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.215 -0.928 . . . . 0.0 110.987 -178.47 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 93.6 m-20 -71.84 119.15 15.6 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 120.714 -1.241 . . . . 0.0 109.628 -178.952 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 66.6 mm-40 -70.03 -39.97 75.47 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.344 -0.848 . . . . 0.0 110.119 -179.852 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 29.9 p-10 -90.35 -8.04 51.75 Favored 'General case' 0 N--CA 1.494 1.768 0 O-C-N 121.117 -0.989 . . . . 0.0 110.566 -178.838 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 44.34 51.85 7.47 Favored Glycine 0 N--CA 1.495 2.627 0 N-CA-C 110.129 -1.188 . . . . 0.0 110.129 179.434 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . 0.407 ' N ' ' OD1' ' A' ' 65' ' ' ASP . 28.6 p-10 -88.98 -1.84 58.3 Favored 'General case' 0 N--CA 1.495 1.797 0 O-C-N 121.162 -1.199 . . . . 0.0 110.06 -179.592 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 80.91 -3.64 74.7 Favored Glycine 0 N--CA 1.493 2.483 0 N-CA-C 110.042 -1.223 . . . . 0.0 110.042 179.54 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 80.0 mm-40 -121.77 150.17 42.24 Favored 'General case' 0 N--CA 1.501 2.091 0 O-C-N 121.514 -0.992 . . . . 0.0 108.886 179.83 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 3.3 m -101.02 111.82 24.12 Favored 'General case' 0 N--CA 1.496 1.869 0 O-C-N 121.392 -0.817 . . . . 0.0 109.474 179.938 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 64.0 m-20 -89.05 164.34 15.1 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.547 -0.721 . . . . 0.0 109.155 179.781 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 58.8 t80 -59.95 -40.31 88.56 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.122 -0.986 . . . . 0.0 109.127 -179.611 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 46.2 mt-30 -60.14 -40.04 88.41 Favored 'General case' 0 N--CA 1.488 1.434 0 O-C-N 121.37 -0.831 . . . . 0.0 108.949 179.72 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 95.9 mt-10 -69.87 -36.75 75.73 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.382 -0.824 . . . . 0.0 109.446 179.614 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 57.7 t80 -59.95 -48.64 80.87 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.428 -0.795 . . . . 0.0 109.292 -179.457 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' MET . . . . . 0.519 ' O ' ' SD ' ' A' ' 74' ' ' MET . 0.0 OUTLIER -60.13 -40.17 88.82 Favored 'General case' 0 C--N 1.301 -1.536 0 N-CA-C 108.576 -0.898 . . . . 0.0 108.576 179.581 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -60.79 -36.99 80.41 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.486 -0.759 . . . . 0.0 110.49 179.928 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 36.7 t80 -60.02 -44.95 94.26 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.144 -0.972 . . . . 0.0 109.574 -178.715 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 71.9 t -65.61 -40.23 87.38 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.478 0 O-C-N 121.15 -0.969 . . . . 0.0 109.662 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 78' ' ' SER . . . . . 0.441 ' O ' ' OG1' ' A' ' 82' ' ' THR . 30.4 t -63.3 -40.37 97.17 Favored 'General case' 0 N--CA 1.494 1.76 0 O-C-N 121.34 -0.85 . . . . 0.0 110.832 -179.161 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 13.8 tpt -60.03 -43.84 95.04 Favored 'General case' 0 N--CA 1.494 1.739 0 O-C-N 120.908 -1.12 . . . . 0.0 109.839 -179.079 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 55.3 t -65.01 -49.0 81.73 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.666 0 O-C-N 120.901 -1.125 . . . . 0.0 109.601 179.894 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 2.8 m -70.49 -39.63 74.06 Favored 'General case' 0 N--CA 1.489 1.475 0 O-C-N 121.308 -0.87 . . . . 0.0 110.139 -179.279 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 82' ' ' THR . . . . . 0.441 ' OG1' ' O ' ' A' ' 78' ' ' SER . 94.2 m -60.01 -41.01 91.22 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.055 -1.028 . . . . 0.0 110.454 -178.894 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -70.39 -40.04 74.18 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.045 -1.034 . . . . 0.0 110.495 -179.6 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 74.9 m -80.2 134.38 36.12 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.155 -0.966 . . . . 0.0 111.234 -178.194 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 2.2 m-70 -82.94 -145.96 0.07 Allowed 'General case' 0 N--CA 1.489 1.511 0 N-CA-C 107.428 -1.323 . . . . 0.0 107.428 178.281 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . 0.506 ' OE1' ' N ' ' A' ' 86' ' ' GLU . 40.5 mp0 -59.9 -40.09 87.62 Favored 'General case' 0 C--N 1.301 -1.539 0 N-CA-C 106.989 -1.486 . . . . 0.0 106.989 178.26 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 40.1 t80 43.56 66.66 0.77 Allowed 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.637 -0.664 . . . . 0.0 110.698 178.127 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . 0.523 ' O ' ' CG ' ' A' ' 88' ' ' PHE . 1.9 p90 . . . . . 0 N--CA 1.494 1.727 0 O-C-N 121.155 -0.966 . . . . 0.0 109.349 179.259 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 1' ' ' SER . . . . . 0.552 ' HG ' ' N ' ' B' ' 2' ' ' GLU . 48.2 t . . . . . 0 N--CA 1.496 1.871 0 N-CA-C 109.255 -0.646 . . . . 0.0 109.255 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 2' ' ' GLU . . . . . 0.552 ' N ' ' HG ' ' B' ' 1' ' ' SER . 58.4 mp0 -59.96 -39.97 87.45 Favored 'General case' 0 C--N 1.302 -1.46 0 O-C-N 121.402 -0.811 . . . . 0.0 109.343 -179.867 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -62.26 -32.23 72.9 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.296 -0.877 . . . . 0.0 110.222 -179.488 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -60.01 -40.31 88.83 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 120.384 -1.447 . . . . 0.0 108.628 -179.94 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 21.5 mttp -70.06 -27.1 64.35 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.289 -0.882 . . . . 0.0 109.737 179.417 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -60.04 -42.91 95.47 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.098 -1.001 . . . . 0.0 109.758 -179.332 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 7' ' ' MET . . . . . . . . . . . . . 66.7 mtt -60.17 -39.97 88.3 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 120.773 -1.205 . . . . 0.0 108.684 179.42 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 73.8 t -69.94 -39.87 78.03 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.666 0 O-C-N 121.453 -0.779 . . . . 0.0 109.792 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.17 -46.96 87.01 Favored 'General case' 0 N--CA 1.494 1.749 0 O-C-N 121.224 -0.923 . . . . 0.0 110.529 -178.338 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -59.95 -40.13 87.97 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 120.763 -1.211 . . . . 0.0 108.764 179.802 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 11' ' ' ILE . . . . . 0.413 HG22 HD11 ' B' ' 11' ' ' ILE . 88.4 mt -69.97 -41.95 79.5 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.634 0 O-C-N 121.171 -0.956 . . . . 0.0 109.402 179.727 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 11.3 t0 -64.39 -47.03 80.78 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 121.247 -0.908 . . . . 0.0 109.656 -179.751 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 54.4 t -63.84 -41.3 92.11 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.471 0 O-C-N 121.267 -0.895 . . . . 0.0 109.021 179.91 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 14' ' ' PHE . . . . . . . . . . . . . 58.2 t80 -60.04 -49.95 75.65 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.393 -0.817 . . . . 0.0 109.505 179.549 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 82.6 t60 -70.37 -44.15 68.66 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.584 -0.697 . . . . 0.0 111.262 -179.201 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 30.3 tt0 -60.06 -48.68 80.7 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 120.939 -1.1 . . . . 0.0 110.379 -178.648 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 4.3 m-85 -69.93 -36.23 75.16 Favored 'General case' 0 N--CA 1.495 1.776 0 O-C-N 121.088 -1.007 . . . . 0.0 110.522 -179.621 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 20.0 t -59.66 -40.13 86.74 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 120.718 -1.239 . . . . 0.0 109.892 -178.696 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -81.89 -6.99 88.51 Favored Glycine 0 N--CA 1.492 2.427 0 C-N-CA 120.088 -1.053 . . . . 0.0 111.202 -179.493 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 20' ' ' ARG . . . . . 0.557 ' C ' ' HE ' ' B' ' 20' ' ' ARG . 0.0 OUTLIER -70.09 -29.38 66.34 Favored 'General case' 0 N--CA 1.495 1.811 0 O-C-N 120.611 -1.523 . . . . 0.0 110.721 -178.808 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 86.4 tt0 -108.47 -87.67 0.49 Allowed 'General case' 0 N--CA 1.499 2.014 0 O-C-N 121.233 -0.917 . . . . 0.0 110.134 -179.174 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . -92.95 -154.61 31.3 Favored Glycine 0 N--CA 1.496 2.679 0 N-CA-C 109.868 -1.293 . . . . 0.0 109.868 -179.549 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 23' ' ' ASP . . . . . 0.533 ' OD1' ' CE1' ' B' ' 25' ' ' HIS . 34.5 p-10 -74.76 165.14 25.72 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.282 -1.128 . . . . 0.0 109.101 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 24' ' ' LYS . . . . . 0.414 ' H ' ' CD ' ' B' ' 24' ' ' LYS . 0.0 OUTLIER -84.5 105.47 15.34 Favored 'General case' 0 N--CA 1.497 1.924 0 O-C-N 121.103 -0.998 . . . . 0.0 109.697 -178.861 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' B' B ' 25' ' ' HIS . . . . . 0.678 ' ND1' ' H ' ' B' ' 26' ' ' LYS . 7.9 p-80 -169.85 -48.42 0.02 OUTLIER 'General case' 0 N--CA 1.494 1.729 0 O-C-N 121.107 -0.995 . . . . 0.0 109.781 179.215 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 26' ' ' LYS . . . . . 0.678 ' H ' ' ND1' ' B' ' 25' ' ' HIS . 47.1 mtpt -141.67 157.62 44.84 Favored 'General case' 0 N--CA 1.497 1.914 0 O-C-N 121.373 -0.829 . . . . 0.0 108.792 179.517 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -108.19 138.96 43.57 Favored 'General case' 0 N--CA 1.5 2.027 0 O-C-N 121.299 -0.876 . . . . 0.0 108.943 179.761 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 44.2 mmtm -89.33 169.18 11.64 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.485 -0.76 . . . . 0.0 109.027 -179.701 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 61.7 pttt -60.02 -31.3 69.82 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.305 -0.872 . . . . 0.0 109.662 179.935 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 88.3 p -60.03 -39.73 86.9 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.229 -0.919 . . . . 0.0 109.841 -179.902 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 -67.7 -31.48 71.46 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.089 -1.007 . . . . 0.0 109.902 -179.59 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -60.0 -44.09 94.78 Favored 'General case' 0 N--CA 1.495 1.802 0 O-C-N 121.108 -0.995 . . . . 0.0 109.197 -179.558 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 58.5 tttp -60.0 -44.84 94.28 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.317 -0.864 . . . . 0.0 110.195 -179.481 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -69.45 -38.38 77.76 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 121.095 -1.003 . . . . 0.0 110.209 179.731 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 30.1 tp -59.94 -41.13 91.14 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.188 -0.945 . . . . 0.0 110.005 -178.696 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 96.9 mt -67.12 -41.23 86.75 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.786 0 O-C-N 120.986 -1.071 . . . . 0.0 110.566 -179.198 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 59.0 t30 -68.12 -34.99 77.41 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.069 -1.019 . . . . 0.0 110.138 -179.449 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 16.4 t-20 -59.99 -45.03 94.06 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.242 -0.911 . . . . 0.0 111.145 -178.557 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 2.2 pt-20 -108.76 -92.85 0.42 Allowed 'General case' 0 N--CA 1.505 2.278 0 O-C-N 121.096 -1.003 . . . . 0.0 110.971 -178.591 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 70.7 mt -50.93 94.82 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.371 -0.831 . . . . 0.0 111.273 -178.122 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 41' ' ' SER . . . . . 0.459 ' HG ' ' H ' ' B' ' 42' ' ' HIS . 90.5 p -109.77 -59.07 1.97 Allowed 'General case' 0 N--CA 1.496 1.854 0 N-CA-C 108.098 -1.075 . . . . 0.0 108.098 178.134 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 42' ' ' HIS . . . . . 0.459 ' H ' ' HG ' ' B' ' 41' ' ' SER . 86.0 t60 -67.93 -39.92 83.41 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.589 -0.694 . . . . 0.0 110.232 179.495 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 47.3 m-85 -59.99 -40.06 87.87 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.17 -0.956 . . . . 0.0 110.377 -178.822 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -116.01 109.56 17.71 Favored 'General case' 0 N--CA 1.502 2.129 0 O-C-N 121.312 -0.868 . . . . 0.0 108.964 -179.888 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 45' ' ' GLU . . . . . 0.432 ' N ' ' CD ' ' B' ' 45' ' ' GLU . 3.6 pm0 -119.83 -5.91 10.11 Favored 'General case' 0 N--CA 1.501 2.091 0 O-C-N 121.421 -0.8 . . . . 0.0 109.651 179.312 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 46' ' ' GLU . . . . . 0.406 ' OE1' ' N ' ' B' ' 46' ' ' GLU . 33.3 mp0 -84.24 -9.24 58.68 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 121.221 -0.925 . . . . 0.0 109.977 179.936 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 99.2 mt -80.05 91.45 1.68 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.623 0 O-C-N 120.846 -1.159 . . . . 0.0 109.854 -179.497 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 97.9 mttt -124.46 -29.31 3.51 Favored 'General case' 0 N--CA 1.496 1.848 0 N-CA-C 107.959 -1.126 . . . . 0.0 107.959 178.586 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 67.8 mm-40 -105.12 137.19 43.26 Favored 'General case' 0 N--CA 1.493 1.696 0 N-CA-C 108.737 -0.838 . . . . 0.0 108.737 179.459 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 4.5 pp0? -61.3 -21.21 63.75 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.237 -0.914 . . . . 0.0 109.757 -179.818 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 89.0 tt0 -59.89 -41.82 92.45 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.311 -0.868 . . . . 0.0 110.171 -178.83 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 54.5 t -60.02 -41.45 86.29 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.587 0 O-C-N 120.943 -1.098 . . . . 0.0 109.342 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 53.1 t -60.99 -42.39 92.8 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.459 0 O-C-N 121.307 -0.871 . . . . 0.0 109.676 -179.79 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 98.5 m-20 -62.98 -41.92 99.69 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.027 -1.046 . . . . 0.0 109.783 -179.941 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 61.0 tttm -66.44 -44.67 82.2 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.234 -0.916 . . . . 0.0 109.224 179.707 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 54.5 t -70.04 -40.72 78.81 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.527 0 O-C-N 121.522 -0.736 . . . . 0.0 109.831 -179.909 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 57' ' ' MET . . . . . . . . . . . . . 22.7 ttt -60.68 -42.63 97.5 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.308 -0.87 . . . . 0.0 110.821 -178.924 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -69.22 -39.99 78.22 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.223 -0.923 . . . . 0.0 110.589 -178.859 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 94.5 m -63.19 -41.89 99.26 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 121.037 -1.039 . . . . 0.0 110.538 -179.517 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -71.63 -39.96 70.07 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.275 -0.891 . . . . 0.0 111.037 -178.407 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 94.1 m-20 -71.97 119.14 15.73 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 120.774 -1.204 . . . . 0.0 109.711 -178.927 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 66.2 mm-40 -69.94 -40.05 75.71 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.386 -0.821 . . . . 0.0 110.144 -179.888 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 63' ' ' ASP . . . . . 0.404 ' N ' ' OD1' ' B' ' 63' ' ' ASP . 30.0 p-10 -90.28 -7.94 52.16 Favored 'General case' 0 N--CA 1.495 1.775 0 O-C-N 121.191 -0.943 . . . . 0.0 110.63 -178.813 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 44.44 51.58 7.7 Favored Glycine 0 N--CA 1.497 2.711 0 N-CA-C 110.085 -1.206 . . . . 0.0 110.085 179.458 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 65' ' ' ASP . . . . . 0.424 ' N ' ' OD1' ' B' ' 65' ' ' ASP . 29.1 p-10 -88.95 -1.91 58.33 Favored 'General case' 0 N--CA 1.495 1.815 0 O-C-N 121.17 -1.194 . . . . 0.0 110.016 -179.606 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 80.65 -2.87 77.18 Favored Glycine 0 N--CA 1.492 2.406 0 N-CA-C 110.03 -1.228 . . . . 0.0 110.03 179.372 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 79.7 mm-40 -122.28 150.02 42.9 Favored 'General case' 0 N--CA 1.499 1.976 0 O-C-N 121.478 -1.013 . . . . 0.0 108.791 179.716 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 68' ' ' CYS . . . . . . . . . . . . . 3.4 m -101.05 112.09 24.46 Favored 'General case' 0 N--CA 1.496 1.833 0 O-C-N 121.291 -0.88 . . . . 0.0 109.399 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 63.4 m-20 -89.2 164.49 14.96 Favored 'General case' 0 N--CA 1.493 1.686 0 N-CA-C 109.168 -0.679 . . . . 0.0 109.168 179.612 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 58.5 t80 -59.94 -40.48 89.08 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.23 -0.919 . . . . 0.0 109.089 -179.675 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 43.7 mt-30 -59.98 -40.02 87.72 Favored 'General case' 0 N--CA 1.488 1.449 0 O-C-N 121.395 -0.816 . . . . 0.0 108.95 179.862 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 96.0 mt-10 -69.92 -36.89 75.7 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.376 -0.828 . . . . 0.0 109.467 179.727 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 73' ' ' PHE . . . . . . . . . . . . . 60.7 t80 -59.9 -48.66 80.8 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.415 -0.803 . . . . 0.0 109.33 -179.39 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 74' ' ' MET . . . . . 0.504 ' O ' ' SD ' ' B' ' 74' ' ' MET . 0.0 OUTLIER -60.03 -40.01 87.89 Favored 'General case' 0 C--N 1.3 -1.547 0 N-CA-C 108.527 -0.916 . . . . 0.0 108.527 179.487 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -60.62 -37.21 80.68 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 121.52 -0.738 . . . . 0.0 110.389 179.883 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 36.9 t80 -60.05 -45.18 93.7 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.231 -0.918 . . . . 0.0 109.622 -178.611 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 77' ' ' VAL . . . . . . . . . . . . . 78.5 t -65.49 -39.99 86.84 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.509 0 O-C-N 121.257 -0.902 . . . . 0.0 109.633 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 78' ' ' SER . . . . . 0.451 ' O ' ' OG1' ' B' ' 82' ' ' THR . 29.5 t -63.61 -40.4 96.82 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.235 -0.916 . . . . 0.0 110.795 -179.083 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 79' ' ' MET . . . . . . . . . . . . . 13.6 tpt -60.0 -43.73 95.0 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 120.917 -1.115 . . . . 0.0 109.919 -179.101 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 54.8 t -64.98 -49.08 81.43 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.674 0 O-C-N 121.0 -1.062 . . . . 0.0 109.695 179.882 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 2.7 m -70.4 -39.65 74.36 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.353 -0.842 . . . . 0.0 110.118 -179.371 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 82' ' ' THR . . . . . 0.451 ' OG1' ' O ' ' B' ' 78' ' ' SER . 94.6 m -60.02 -41.45 92.21 Favored 'General case' 0 N--CA 1.494 1.745 0 O-C-N 121.116 -0.99 . . . . 0.0 110.093 -178.651 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -69.98 -40.04 75.6 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.101 -0.999 . . . . 0.0 110.65 -179.438 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 84' ' ' CYS . . . . . . . . . . . . . 77.6 m -80.09 134.37 36.18 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.123 -0.986 . . . . 0.0 111.324 -178.343 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 85' ' ' HIS . . . . . . . . . . . . . 2.2 m-70 -82.79 -145.97 0.07 Allowed 'General case' 0 N--CA 1.489 1.516 0 N-CA-C 107.479 -1.304 . . . . 0.0 107.479 178.274 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 86' ' ' GLU . . . . . 0.496 ' OE1' ' N ' ' B' ' 86' ' ' GLU . 40.5 mp0 -60.06 -39.97 87.87 Favored 'General case' 0 C--N 1.302 -1.483 0 N-CA-C 107.025 -1.472 . . . . 0.0 107.025 178.24 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 87' ' ' PHE . . . . . . . . . . . . . 41.7 t80 43.55 66.54 0.79 Allowed 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.667 -0.646 . . . . 0.0 110.652 178.101 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 88' ' ' PHE . . . . . 0.528 ' CG ' ' O ' ' B' ' 88' ' ' PHE . 2.0 p90 . . . . . 0 N--CA 1.493 1.704 0 O-C-N 121.032 -1.043 . . . . 0.0 109.395 179.359 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 3.8 t . . . . . 0 N--CA 1.492 1.656 0 CA-C-O 121.529 0.68 . . . . 0.0 109.608 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 48.1 mt-10 -69.79 -39.01 76.87 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.403 -0.811 . . . . 0.0 109.537 179.797 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 51.7 tp -60.03 -47.21 86.79 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.372 -0.83 . . . . 0.0 109.584 -179.051 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 88.2 tt0 -60.01 -49.9 75.86 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.035 -1.04 . . . . 0.0 109.665 -179.686 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 37.6 ttpt -60.84 -42.83 98.54 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.27 -0.894 . . . . 0.0 109.937 179.537 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -64.07 -39.61 94.45 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.431 -0.793 . . . . 0.0 110.499 -179.326 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 12.7 ttm -59.99 -41.65 92.53 Favored 'General case' 0 N--CA 1.495 1.789 0 O-C-N 120.874 -1.141 . . . . 0.0 109.334 -179.305 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 96.4 t -67.93 -36.87 77.19 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.628 0 O-C-N 121.201 -0.937 . . . . 0.0 109.91 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -53.11 -41.7 65.27 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.125 -0.984 . . . . 0.0 110.196 -178.481 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 11.1 mp -60.38 -42.53 96.05 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 120.815 -1.178 . . . . 0.0 108.859 179.405 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 36.5 mm -66.13 -44.06 91.9 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.678 0 O-C-N 121.196 -0.94 . . . . 0.0 109.55 179.614 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 7.1 t70 -60.42 -48.24 82.61 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.274 -0.892 . . . . 0.0 110.397 -179.762 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 95.4 t -69.31 -46.29 77.38 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.495 0 O-C-N 121.354 -0.841 . . . . 0.0 109.764 -179.103 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . 0.475 ' CE1' ' OG ' ' A' ' 18' ' ' SER . 62.2 t80 -60.07 -48.46 81.61 Favored 'General case' 0 C--N 1.299 -1.59 0 O-C-N 121.519 -0.738 . . . . 0.0 110.273 -179.381 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 52.1 t-80 -60.04 -41.79 93.03 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.252 -0.905 . . . . 0.0 111.145 -179.051 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 4.1 tp-100 -60.58 -53.55 56.09 Favored 'General case' 0 N--CA 1.495 1.814 0 O-C-N 120.944 -1.098 . . . . 0.0 110.514 -179.028 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . 0.412 ' OH ' ' OD1' ' A' ' 38' ' ' ASN . 8.3 m-85 -71.93 -40.02 69.06 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.179 -0.95 . . . . 0.0 110.304 -179.528 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' SER . . . . . 0.475 ' OG ' ' CE1' ' A' ' 14' ' ' PHE . 53.5 m -60.07 -41.51 92.58 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.005 -1.06 . . . . 0.0 109.92 -178.563 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -82.82 33.79 2.82 Favored Glycine 0 N--CA 1.492 2.393 0 N-CA-C 109.988 -1.245 . . . . 0.0 109.988 179.842 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . 0.425 ' HG2' HH11 ' A' ' 20' ' ' ARG . 41.1 ttt-85 -59.77 -61.94 2.25 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 120.901 -1.353 . . . . 0.0 109.43 -179.123 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . 0.457 ' O ' ' N ' ' A' ' 23' ' ' ASP . 85.9 tt0 -179.03 139.13 0.15 Allowed 'General case' 0 N--CA 1.497 1.903 0 N-CA-C 109.097 -0.705 . . . . 0.0 109.097 179.129 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 66.48 -51.15 0.2 Allowed Glycine 0 N--CA 1.494 2.535 0 N-CA-C 110.31 -1.116 . . . . 0.0 110.31 179.418 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . 0.463 ' N ' ' OD1' ' A' ' 23' ' ' ASP . 11.7 p30 -89.1 115.67 26.8 Favored 'General case' 0 N--CA 1.497 1.901 0 O-C-N 121.119 -1.224 . . . . 0.0 109.349 -179.899 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 68.0 mttm -93.15 -80.1 0.39 Allowed 'General case' 0 N--CA 1.5 2.055 0 O-C-N 121.165 -0.959 . . . . 0.0 111.773 -178.581 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 89.1 m-70 -105.95 21.36 17.43 Favored 'General case' 0 N--CA 1.503 2.185 0 O-C-N 121.418 -0.801 . . . . 0.0 109.715 -179.031 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . 0.546 ' CB ' ' HZ3' ' A' ' 26' ' ' LYS . 0.0 OUTLIER -133.01 153.89 51.05 Favored 'General case' 0 N--CA 1.493 1.714 0 N-CA-C 108.707 -0.849 . . . . 0.0 108.707 -179.868 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 59.1 mt -119.69 135.39 54.85 Favored 'General case' 0 N--CA 1.498 1.946 0 O-C-N 121.615 -0.678 . . . . 0.0 109.183 -179.225 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 32.5 mtmm -94.24 173.91 7.41 Favored 'General case' 0 N--CA 1.495 1.795 0 O-C-N 121.423 -0.798 . . . . 0.0 109.026 179.918 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -60.04 -40.14 88.34 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.031 -1.043 . . . . 0.0 109.399 -179.559 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 43.8 t -70.03 -45.95 66.09 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.078 -1.014 . . . . 0.0 109.538 179.645 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . 0.441 ' OE2' ' OD2' ' A' ' 23' ' ' ASP . 4.0 tp10 -64.11 -39.95 95.16 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.329 -0.857 . . . . 0.0 109.661 179.838 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.452 ' CD1' ' C ' ' A' ' 32' ' ' LEU . 3.1 tm? -59.97 -49.07 79.12 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.324 -0.86 . . . . 0.0 109.778 -178.335 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 84.1 tttt -62.2 -40.66 96.83 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.089 -1.007 . . . . 0.0 109.975 -179.903 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 41.6 tt0 -62.64 -40.08 95.87 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.25 -0.907 . . . . 0.0 110.285 -179.439 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 7.0 tt -59.94 -48.18 82.74 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.133 -0.979 . . . . 0.0 109.9 -179.332 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.455 ' O ' ' O ' ' A' ' 39' ' ' GLU . 97.7 mt -65.77 -40.04 86.57 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.519 0 O-C-N 121.066 -1.021 . . . . 0.0 110.284 -179.86 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 4.6 m120 -60.08 -49.55 77.22 Favored 'General case' 0 C--N 1.302 -1.491 0 O-C-N 120.748 -1.22 . . . . 0.0 110.423 -178.403 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . 0.412 ' OD1' ' OH ' ' A' ' 17' ' ' TYR . 19.8 t-20 -80.49 -40.29 26.42 Favored 'General case' 0 N--CA 1.495 1.785 0 O-C-N 120.916 -1.115 . . . . 0.0 110.777 -179.605 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . 0.455 ' O ' ' O ' ' A' ' 36' ' ' ILE . 98.3 mt-10 -108.37 158.18 17.74 Favored 'General case' 0 N--CA 1.501 2.125 0 O-C-N 121.296 -0.877 . . . . 0.0 110.225 -178.76 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 5.9 tp 60.93 11.4 3.28 Favored 'General case' 0 C--N 1.302 -1.496 0 N-CA-C 108.383 -0.969 . . . . 0.0 108.383 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' SER . . . . . 0.439 ' O ' ' O ' ' A' ' 44' ' ' LEU . 51.7 p -70.02 -38.73 75.99 Favored 'General case' 0 N--CA 1.487 1.403 0 O-C-N 121.614 -0.679 . . . . 0.0 109.43 179.831 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 82.3 m-70 -68.64 -41.07 79.94 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.255 -0.903 . . . . 0.0 109.896 -179.479 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 2.1 t80 -71.91 -39.92 69.17 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.261 -0.9 . . . . 0.0 110.186 -179.044 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.439 ' O ' ' O ' ' A' ' 41' ' ' SER . 28.7 tp -122.06 147.74 45.73 Favored 'General case' 0 N--CA 1.503 2.219 0 O-C-N 121.306 -0.871 . . . . 0.0 109.513 -179.101 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -71.69 150.01 44.94 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.141 -0.975 . . . . 0.0 108.808 179.131 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 -67.06 147.55 53.03 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.059 -1.026 . . . . 0.0 109.91 -179.671 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 95.8 mt -93.45 130.13 42.9 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.806 0 O-C-N 121.498 -0.751 . . . . 0.0 109.577 -179.678 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 57.0 mtpt -100.18 -16.38 17.8 Favored 'General case' 0 N--CA 1.496 1.87 0 O-C-N 121.26 -0.9 . . . . 0.0 110.613 -179.003 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . 0.433 ' N ' ' OE1' ' A' ' 49' ' ' GLU . 53.7 mp0 -110.16 130.22 55.58 Favored 'General case' 0 N--CA 1.505 2.292 0 O-C-N 121.258 -0.901 . . . . 0.0 110.428 -179.691 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 27.4 mt-30 -70.06 -26.98 64.27 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.62 -0.675 . . . . 0.0 109.814 179.124 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 88.4 tt0 -60.0 -40.07 87.93 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.335 -0.853 . . . . 0.0 109.827 -178.476 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 57.7 t -60.21 -43.34 93.04 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.595 0 O-C-N 121.017 -1.052 . . . . 0.0 108.96 179.388 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 76.9 t -61.0 -41.03 87.58 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.622 0 O-C-N 121.239 -0.913 . . . . 0.0 109.478 -179.864 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 7.1 t70 -59.99 -49.97 75.58 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.178 -0.951 . . . . 0.0 110.856 -179.444 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . 0.444 ' CB ' ' HZ1' ' A' ' 55' ' ' LYS . 9.1 mtmp? -61.45 -39.98 92.8 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 120.994 -1.066 . . . . 0.0 109.27 -179.226 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 55.4 t -62.19 -40.93 89.45 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.496 0 O-C-N 121.335 -0.853 . . . . 0.0 109.59 179.718 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 53.3 tpp -59.99 -43.03 95.42 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.186 -0.946 . . . . 0.0 109.773 -179.609 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 97.8 mt-10 -60.5 -40.48 91.51 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.202 -0.936 . . . . 0.0 110.371 -179.587 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 88.5 m -62.54 -42.53 99.59 Favored 'General case' 0 C--N 1.301 -1.543 0 O-C-N 121.365 -0.834 . . . . 0.0 109.854 -179.123 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.436 ' O ' ' N ' ' A' ' 62' ' ' GLU . 21.5 mt -82.2 -11.88 58.44 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 121.243 -0.911 . . . . 0.0 110.755 -179.604 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 99.9 m-20 -70.59 51.13 0.13 Allowed 'General case' 0 N--CA 1.493 1.683 0 O-C-N 120.88 -1.138 . . . . 0.0 109.612 -179.657 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . 0.436 ' N ' ' O ' ' A' ' 60' ' ' LEU . 76.3 mm-40 -61.65 -40.08 93.63 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.38 -0.825 . . . . 0.0 109.65 179.929 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 42.6 p-10 -82.53 -9.41 59.43 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 121.138 -0.976 . . . . 0.0 109.971 -179.47 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 65.08 31.04 79.51 Favored Glycine 0 N--CA 1.492 2.432 0 C-N-CA 119.893 -1.146 . . . . 0.0 110.266 179.252 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . 0.438 ' OD2' ' O ' ' A' ' 67' ' ' GLU . 31.8 p-10 -83.88 -9.69 58.55 Favored 'General case' 0 N--CA 1.495 1.776 0 O-C-N 120.961 -1.317 . . . . 0.0 109.949 -179.903 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 73.01 6.75 68.87 Favored Glycine 0 N--CA 1.493 2.439 0 N-CA-C 110.375 -1.09 . . . . 0.0 110.375 179.47 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . 0.438 ' O ' ' OD2' ' A' ' 65' ' ' ASP . 16.0 pt-20 -148.12 159.97 43.38 Favored 'General case' 0 N--CA 1.496 1.861 0 O-C-N 121.007 -1.29 . . . . 0.0 109.73 -179.691 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 22.5 t -99.52 113.57 26.05 Favored 'General case' 0 N--CA 1.498 1.949 0 O-C-N 121.17 -0.956 . . . . 0.0 109.352 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 70.5 m-20 -97.52 -178.7 4.22 Favored 'General case' 0 N--CA 1.497 1.875 0 O-C-N 121.406 -0.809 . . . . 0.0 110.191 -179.518 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 58.5 t80 -59.99 -44.66 94.38 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.379 -0.825 . . . . 0.0 109.902 -179.737 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 12.6 pt20 -60.04 -47.13 87.13 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 120.879 -1.138 . . . . 0.0 108.455 179.456 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 78.0 tt0 -64.32 -36.84 85.42 Favored 'General case' 0 C--N 1.301 -1.502 0 O-C-N 121.538 -0.726 . . . . 0.0 109.291 178.851 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 64.4 t80 -59.97 -41.93 93.01 Favored 'General case' 0 N--CA 1.494 1.761 0 O-C-N 121.233 -0.917 . . . . 0.0 109.688 -179.72 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 11.0 tpt -60.03 -39.99 87.79 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.039 -1.038 . . . . 0.0 109.161 179.569 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -60.06 -36.04 76.47 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.555 -0.716 . . . . 0.0 109.601 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 13.5 t80 -59.95 -48.03 83.37 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.149 -0.97 . . . . 0.0 109.017 -179.19 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 86.5 t -65.1 -40.53 89.19 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.618 0 O-C-N 121.293 -0.88 . . . . 0.0 109.505 179.921 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 77.3 p -60.76 -36.21 78.35 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.395 -0.816 . . . . 0.0 109.684 179.808 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 28.2 ttt -60.09 -40.09 88.41 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.318 -0.864 . . . . 0.0 109.84 -178.89 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 53.0 t -68.28 -40.14 82.13 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.556 0 O-C-N 121.096 -1.003 . . . . 0.0 109.032 179.869 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 76.0 p -69.94 -40.39 75.52 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.238 -0.914 . . . . 0.0 110.189 -179.887 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 40.6 p -64.08 -39.67 94.57 Favored 'General case' 0 C--N 1.302 -1.461 0 O-C-N 121.109 -0.994 . . . . 0.0 109.152 179.854 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -68.39 -27.94 66.67 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.477 -0.764 . . . . 0.0 109.837 -179.93 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 51.4 t -46.74 107.85 0.12 Allowed 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.114 -0.991 . . . . 0.0 109.514 -179.875 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 7.1 t60 -138.96 114.28 9.62 Favored 'General case' 0 N--CA 1.496 1.857 0 O-C-N 121.32 -0.863 . . . . 0.0 108.899 179.906 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 21.8 tp10 65.33 22.4 12.04 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.491 -0.756 . . . . 0.0 109.358 -179.654 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 87' ' ' PHE . . . . . 0.428 ' O ' ' O ' ' A' ' 88' ' ' PHE . 2.7 m-85 -89.98 -81.41 0.29 Allowed 'General case' 0 N--CA 1.498 1.946 0 O-C-N 120.968 -1.083 . . . . 0.0 108.48 179.337 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . 0.428 ' O ' ' O ' ' A' ' 87' ' ' PHE . 95.3 m-85 . . . . . 0 N--CA 1.496 1.841 0 CA-C-O 121.221 0.534 . . . . 0.0 110.784 179.255 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 3.3 t . . . . . 0 N--CA 1.49 1.541 0 CA-C-O 121.542 0.687 . . . . 0.0 109.524 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 48.4 mt-10 -69.89 -39.13 76.45 Favored 'General case' 0 N--CA 1.489 1.475 0 O-C-N 121.379 -0.826 . . . . 0.0 109.477 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 46.2 tp -60.0 -47.37 86.11 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.474 -0.766 . . . . 0.0 109.583 -179.123 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 88.2 tt0 -59.97 -49.85 76.06 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 120.954 -1.091 . . . . 0.0 109.704 -179.607 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 37.1 ttpt -60.84 -42.77 98.45 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.113 -0.992 . . . . 0.0 109.905 179.487 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -63.85 -39.86 95.21 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.398 -0.814 . . . . 0.0 110.506 -179.456 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 7' ' ' MET . . . . . . . . . . . . . 17.1 ttm -59.98 -41.57 92.28 Favored 'General case' 0 N--CA 1.494 1.768 0 O-C-N 120.768 -1.208 . . . . 0.0 109.398 -179.353 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 88.0 t -67.8 -37.73 79.0 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.512 0 O-C-N 121.26 -0.9 . . . . 0.0 109.864 -179.853 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -52.94 -40.65 63.81 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.179 -0.95 . . . . 0.0 110.255 -178.442 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 11.0 mp -61.28 -42.09 98.05 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 120.793 -1.192 . . . . 0.0 108.819 179.369 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 37.1 mm -66.54 -43.91 90.45 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.657 0 O-C-N 121.194 -0.941 . . . . 0.0 109.53 179.476 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 7.1 t70 -60.18 -48.5 81.45 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.365 -0.834 . . . . 0.0 110.357 -179.702 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 94.0 t -68.88 -46.58 78.93 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.518 0 O-C-N 121.387 -0.821 . . . . 0.0 109.866 -179.157 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 14' ' ' PHE . . . . . 0.473 ' CE1' ' OG ' ' B' ' 18' ' ' SER . 60.2 t80 -59.97 -48.18 82.75 Favored 'General case' 0 C--N 1.301 -1.501 0 O-C-N 121.485 -0.759 . . . . 0.0 110.264 -179.468 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 53.3 t-80 -60.1 -42.14 94.03 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.228 -0.92 . . . . 0.0 111.15 -179.059 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 4.1 tp-100 -60.45 -53.4 58.0 Favored 'General case' 0 N--CA 1.496 1.835 0 O-C-N 120.99 -1.069 . . . . 0.0 110.49 -178.875 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 8.4 m-85 -71.95 -40.15 68.87 Favored 'General case' 0 N--CA 1.494 1.762 0 O-C-N 121.272 -0.893 . . . . 0.0 110.277 -179.462 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 18' ' ' SER . . . . . 0.473 ' OG ' ' CE1' ' B' ' 14' ' ' PHE . 55.6 m -59.91 -41.93 92.76 Favored 'General case' 0 C--N 1.3 -1.558 0 O-C-N 121.047 -1.033 . . . . 0.0 110.12 -178.762 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -82.63 33.88 2.77 Favored Glycine 0 N--CA 1.492 2.41 0 N-CA-C 109.902 -1.279 . . . . 0.0 109.902 179.793 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 20' ' ' ARG . . . . . 0.436 ' HG2' HH11 ' B' ' 20' ' ' ARG . 37.3 ttt-85 -59.67 -61.82 2.34 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 120.904 -1.351 . . . . 0.0 109.529 -179.193 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 21' ' ' GLU . . . . . 0.471 ' O ' ' N ' ' B' ' 23' ' ' ASP . 85.6 tt0 -179.26 139.19 0.14 Allowed 'General case' 0 N--CA 1.497 1.906 0 N-CA-C 109.029 -0.73 . . . . 0.0 109.029 179.257 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . 66.31 -51.25 0.19 Allowed Glycine 0 N--CA 1.493 2.473 0 N-CA-C 110.334 -1.106 . . . . 0.0 110.334 179.333 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 23' ' ' ASP . . . . . 0.506 ' OD1' ' N ' ' B' ' 23' ' ' ASP . 12.1 p30 -89.07 115.76 26.85 Favored 'General case' 0 N--CA 1.497 1.898 0 O-C-N 121.158 -1.201 . . . . 0.0 109.414 -179.799 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 68.0 mttm -92.91 -80.36 0.38 Allowed 'General case' 0 N--CA 1.5 2.054 0 O-C-N 121.248 -0.907 . . . . 0.0 111.986 -178.449 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 25' ' ' HIS . . . . . . . . . . . . . 88.3 m-70 -105.97 21.54 17.14 Favored 'General case' 0 N--CA 1.502 2.173 0 O-C-N 121.326 -0.859 . . . . 0.0 109.633 -179.012 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 26' ' ' LYS . . . . . 0.598 ' CB ' ' HZ1' ' B' ' 26' ' ' LYS . 0.0 OUTLIER -133.6 153.45 51.65 Favored 'General case' 0 N--CA 1.493 1.678 0 N-CA-C 108.719 -0.845 . . . . 0.0 108.719 -179.672 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 53.7 mt -119.31 136.13 54.39 Favored 'General case' 0 N--CA 1.496 1.85 0 O-C-N 121.531 -0.73 . . . . 0.0 109.138 -179.175 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 31.5 mtmm -94.62 173.79 7.44 Favored 'General case' 0 N--CA 1.494 1.764 0 O-C-N 121.408 -0.807 . . . . 0.0 108.99 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -60.0 -39.99 87.67 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.035 -1.041 . . . . 0.0 109.506 -179.585 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 46.1 t -70.31 -45.35 66.44 Favored 'General case' 0 N--CA 1.488 1.465 0 O-C-N 121.054 -1.029 . . . . 0.0 109.511 179.663 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 31' ' ' GLU . . . . . 0.43 ' OE2' ' OD2' ' B' ' 23' ' ' ASP . 4.0 tp10 -64.73 -39.93 94.47 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.345 -0.847 . . . . 0.0 109.649 179.806 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 32' ' ' LEU . . . . . 0.447 ' C ' ' CD1' ' B' ' 32' ' ' LEU . 3.0 tm? -60.02 -49.5 77.43 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.228 -0.92 . . . . 0.0 109.398 -178.232 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 84.4 tttt -61.52 -40.91 96.32 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.092 -1.005 . . . . 0.0 110.051 -179.801 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 41.7 tt0 -62.6 -39.95 95.37 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.349 -0.845 . . . . 0.0 110.363 -179.441 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 6.7 tt -60.02 -48.21 82.65 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.178 -0.951 . . . . 0.0 109.905 -179.301 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 36' ' ' ILE . . . . . 0.456 ' O ' ' O ' ' B' ' 39' ' ' GLU . 96.6 mt -65.86 -40.05 86.45 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.583 0 O-C-N 121.038 -1.039 . . . . 0.0 110.188 -179.655 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 4.9 m120 -59.95 -49.62 76.96 Favored 'General case' 0 C--N 1.301 -1.502 0 O-C-N 120.86 -1.15 . . . . 0.0 110.434 -178.535 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 19.6 t-20 -80.42 -40.34 26.58 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 120.927 -1.108 . . . . 0.0 110.757 -179.601 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 39' ' ' GLU . . . . . 0.456 ' O ' ' O ' ' B' ' 36' ' ' ILE . 98.1 mt-10 -108.7 158.04 17.98 Favored 'General case' 0 N--CA 1.501 2.1 0 O-C-N 121.162 -0.961 . . . . 0.0 110.284 -178.704 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 6.0 tp 60.96 11.76 3.51 Favored 'General case' 0 C--N 1.302 -1.484 0 N-CA-C 108.329 -0.989 . . . . 0.0 108.329 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 41' ' ' SER . . . . . 0.443 ' O ' ' O ' ' B' ' 44' ' ' LEU . 53.4 p -70.23 -38.76 75.29 Favored 'General case' 0 N--CA 1.487 1.411 0 O-C-N 121.61 -0.681 . . . . 0.0 109.358 179.495 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 42' ' ' HIS . . . . . . . . . . . . . 79.0 m-70 -68.25 -41.56 80.96 Favored 'General case' 0 N--CA 1.488 1.441 0 O-C-N 121.209 -0.932 . . . . 0.0 109.852 -179.41 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 2.0 t80 -72.02 -39.99 68.79 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.348 -0.845 . . . . 0.0 110.354 -179.142 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 44' ' ' LEU . . . . . 0.443 ' O ' ' O ' ' B' ' 41' ' ' SER . 35.2 tp -121.35 147.71 45.33 Favored 'General case' 0 N--CA 1.506 2.332 0 O-C-N 121.37 -0.831 . . . . 0.0 109.528 -179.301 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -71.7 149.84 45.09 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.1 -1.0 . . . . 0.0 108.746 178.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -66.99 147.81 52.75 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 120.95 -1.094 . . . . 0.0 109.867 -179.56 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 92.9 mt -93.42 129.9 43.21 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.759 0 O-C-N 121.502 -0.749 . . . . 0.0 109.613 -179.594 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 57.4 mtpt -99.97 -16.49 17.93 Favored 'General case' 0 N--CA 1.496 1.862 0 O-C-N 121.356 -0.84 . . . . 0.0 110.707 -178.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 49' ' ' GLU . . . . . 0.435 ' OE1' ' N ' ' B' ' 49' ' ' GLU . 52.0 mp0 -110.06 130.19 55.57 Favored 'General case' 0 N--CA 1.503 2.206 0 O-C-N 121.281 -0.887 . . . . 0.0 110.438 -179.692 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 27.3 mt-30 -70.39 -26.74 63.85 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.654 -0.654 . . . . 0.0 109.609 179.3 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -59.94 -40.07 87.67 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.158 -0.964 . . . . 0.0 109.889 -178.525 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 58.7 t -60.3 -43.27 93.21 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.571 0 O-C-N 121.006 -1.058 . . . . 0.0 109.008 179.298 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 73.9 t -60.81 -41.05 87.11 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.581 0 O-C-N 121.239 -0.913 . . . . 0.0 109.4 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 7.4 t70 -59.98 -50.02 75.38 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.239 -0.913 . . . . 0.0 110.837 -179.293 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 55' ' ' LYS . . . . . 0.409 ' CB ' ' HZ1' ' B' ' 55' ' ' LYS . 9.0 mtmp? -61.53 -40.07 93.34 Favored 'General case' 0 C--N 1.303 -1.456 0 O-C-N 120.913 -1.117 . . . . 0.0 109.308 -179.126 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 55.5 t -62.35 -40.38 87.68 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.527 0 O-C-N 121.264 -0.898 . . . . 0.0 109.535 179.812 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 57' ' ' MET . . . . . . . . . . . . . 49.8 tpp -60.14 -43.43 95.72 Favored 'General case' 0 N--CA 1.494 1.749 0 O-C-N 121.236 -0.915 . . . . 0.0 109.708 -179.649 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -60.52 -40.46 91.52 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.094 -1.004 . . . . 0.0 110.27 -179.49 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 92.7 m -62.03 -42.71 99.46 Favored 'General case' 0 C--N 1.301 -1.503 0 O-C-N 121.364 -0.835 . . . . 0.0 109.796 -179.091 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 30.8 mt -82.0 -12.31 58.39 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.254 -0.904 . . . . 0.0 110.739 -179.693 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 99.5 m-20 -70.51 51.65 0.13 Allowed 'General case' 0 N--CA 1.492 1.665 0 O-C-N 120.793 -1.192 . . . . 0.0 109.586 -179.46 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 76.6 mm-40 -61.97 -40.02 94.16 Favored 'General case' 0 N--CA 1.487 1.422 0 O-C-N 121.299 -0.876 . . . . 0.0 109.543 179.908 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 41.9 p-10 -82.47 -9.26 59.5 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 121.029 -1.044 . . . . 0.0 110.049 -179.464 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 65.21 30.49 77.94 Favored Glycine 0 N--CA 1.492 2.421 0 C-N-CA 119.805 -1.188 . . . . 0.0 110.302 179.195 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 65' ' ' ASP . . . . . 0.434 ' OD2' ' O ' ' B' ' 67' ' ' GLU . 32.2 p-10 -83.6 -9.87 58.62 Favored 'General case' 0 N--CA 1.494 1.772 0 O-C-N 121.02 -1.282 . . . . 0.0 109.971 -179.87 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 73.02 6.84 69.17 Favored Glycine 0 N--CA 1.492 2.423 0 N-CA-C 110.184 -1.166 . . . . 0.0 110.184 179.395 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 67' ' ' GLU . . . . . 0.434 ' O ' ' OD2' ' B' ' 65' ' ' ASP . 16.2 pt-20 -148.27 160.25 43.15 Favored 'General case' 0 N--CA 1.495 1.814 0 O-C-N 120.879 -1.366 . . . . 0.0 109.728 -179.723 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 68' ' ' CYS . . . . . . . . . . . . . 34.4 t -99.57 113.82 26.46 Favored 'General case' 0 N--CA 1.499 2.019 0 O-C-N 121.239 -0.913 . . . . 0.0 109.387 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 70.6 m-20 -98.05 -178.05 3.94 Favored 'General case' 0 N--CA 1.499 1.994 0 O-C-N 121.267 -0.896 . . . . 0.0 109.998 -179.702 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 62.7 t80 -59.97 -45.2 93.44 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.488 -0.757 . . . . 0.0 109.988 -179.616 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 12.5 pt20 -59.98 -47.15 87.0 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 120.905 -1.122 . . . . 0.0 108.443 179.669 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 80.8 tt0 -64.59 -35.94 82.64 Favored 'General case' 0 C--N 1.301 -1.508 0 O-C-N 121.523 -0.736 . . . . 0.0 109.239 178.845 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 73' ' ' PHE . . . . . . . . . . . . . 65.0 t80 -59.92 -42.35 93.73 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 121.264 -0.898 . . . . 0.0 109.698 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 74' ' ' MET . . . . . . . . . . . . . 11.1 tpt -59.94 -40.15 87.99 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.155 -0.966 . . . . 0.0 109.182 179.765 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -60.09 -35.75 75.89 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.404 -0.81 . . . . 0.0 109.743 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 13.3 t80 -59.97 -47.94 83.74 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.22 -0.925 . . . . 0.0 108.908 -179.32 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 77' ' ' VAL . . . . . . . . . . . . . 96.0 t -65.06 -40.75 90.0 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.666 0 O-C-N 121.307 -0.87 . . . . 0.0 109.441 179.941 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 78' ' ' SER . . . . . 0.427 ' HG ' ' N ' ' B' ' 79' ' ' MET . 77.9 p -60.64 -36.17 78.01 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.505 -0.747 . . . . 0.0 109.728 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 79' ' ' MET . . . . . 0.427 ' N ' ' HG ' ' B' ' 78' ' ' SER . 28.2 ttt -60.05 -40.18 88.56 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.3 -0.875 . . . . 0.0 109.772 -178.782 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 54.5 t -68.41 -40.02 81.67 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.487 0 O-C-N 121.127 -0.983 . . . . 0.0 109.083 179.853 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 68.9 p -69.74 -40.68 76.03 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.271 -0.893 . . . . 0.0 110.098 -179.884 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 39.9 p -63.92 -39.65 94.65 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.155 -0.966 . . . . 0.0 109.261 179.864 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -68.52 -27.81 66.44 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.324 -0.86 . . . . 0.0 109.728 -179.812 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 84' ' ' CYS . . . . . . . . . . . . . 52.8 t -46.48 107.9 0.12 Allowed 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.277 -0.89 . . . . 0.0 109.485 -179.919 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 85' ' ' HIS . . . . . . . . . . . . . 7.1 t60 -139.41 113.99 9.18 Favored 'General case' 0 N--CA 1.496 1.848 0 O-C-N 121.272 -0.893 . . . . 0.0 108.897 179.896 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 21.5 tp10 65.61 22.27 11.7 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.556 -0.715 . . . . 0.0 109.345 -179.617 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 87' ' ' PHE . . . . . 0.42 ' O ' ' C ' ' B' ' 88' ' ' PHE . 2.6 m-85 -90.03 -80.72 0.31 Allowed 'General case' 0 N--CA 1.498 1.934 0 O-C-N 121.023 -1.048 . . . . 0.0 108.54 179.445 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 88' ' ' PHE . . . . . 0.42 ' C ' ' O ' ' B' ' 87' ' ' PHE . 94.9 m-85 . . . . . 0 N--CA 1.496 1.837 0 O-C-N 121.82 -0.55 . . . . 0.0 110.899 179.256 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 22.6 t . . . . . 0 N--CA 1.49 1.533 0 CA-C-O 121.666 0.746 . . . . 0.0 109.488 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 39.7 mt-10 -69.86 -28.9 66.04 Favored 'General case' 0 C--N 1.302 -1.49 0 O-C-N 121.575 -0.703 . . . . 0.0 109.977 179.173 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 66.2 tp -59.79 -49.79 76.35 Favored 'General case' 0 N--CA 1.496 1.835 0 O-C-N 121.315 -0.866 . . . . 0.0 109.199 -179.676 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 53.6 tp10 -62.06 -40.57 96.24 Favored 'General case' 0 C--N 1.295 -1.785 0 O-C-N 120.828 -1.17 . . . . 0.0 109.28 179.283 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 2.2 tpmt? -60.16 -42.69 95.48 Favored 'General case' 0 N--CA 1.488 1.449 0 O-C-N 121.203 -0.936 . . . . 0.0 109.916 -179.919 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -61.31 -37.81 84.58 Favored 'General case' 0 C--N 1.299 -1.602 0 O-C-N 121.091 -1.006 . . . . 0.0 109.234 179.797 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 56.6 ttm -60.83 -47.6 85.61 Favored 'General case' 0 N--CA 1.488 1.464 0 O-C-N 121.444 -0.785 . . . . 0.0 109.547 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 73.8 t -63.75 -42.8 97.17 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.857 0 O-C-N 121.433 -0.792 . . . . 0.0 109.916 -179.813 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -63.05 -39.97 96.32 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.536 -0.728 . . . . 0.0 109.617 -179.162 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 56.5 tp -59.98 -45.79 91.55 Favored 'General case' 0 C--N 1.302 -1.466 0 O-C-N 121.126 -0.984 . . . . 0.0 109.336 -179.496 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 96.4 mt -64.71 -40.98 90.93 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.906 0 O-C-N 121.256 -0.902 . . . . 0.0 110.209 -179.82 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 19.7 t0 -60.42 -44.16 96.03 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 121.282 -0.886 . . . . 0.0 110.585 -178.807 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 54.7 t -61.24 -47.62 92.66 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.489 0 O-C-N 121.066 -1.021 . . . . 0.0 109.714 -179.214 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 63.5 t80 -61.28 -49.87 75.29 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.001 -1.062 . . . . 0.0 109.38 -179.704 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . 0.542 ' HD1' ' CD2' ' A' ' 25' ' ' HIS . 86.7 t60 -62.98 -40.63 98.32 Favored 'General case' 0 N--CA 1.487 1.423 0 O-C-N 121.168 -0.958 . . . . 0.0 109.6 179.496 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 2.6 tp-100 -62.95 -51.83 65.37 Favored 'General case' 0 N--CA 1.493 1.718 0 O-C-N 121.234 -0.916 . . . . 0.0 110.514 -178.609 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 48.4 t80 -66.33 -48.68 69.49 Favored 'General case' 0 N--CA 1.488 1.426 0 O-C-N 120.822 -1.174 . . . . 0.0 109.528 -179.892 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' SER . . . . . 0.564 ' HG ' ' N ' ' A' ' 19' ' ' GLY . 91.7 p -67.32 -39.61 85.88 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.454 -0.779 . . . . 0.0 109.893 -179.939 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . 0.564 ' N ' ' HG ' ' A' ' 18' ' ' SER . . . -64.25 -48.52 73.76 Favored Glycine 0 N--CA 1.489 2.221 0 C-N-CA 119.746 -1.216 . . . . 0.0 111.16 -178.903 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -61.66 -41.92 98.2 Favored 'General case' 0 N--CA 1.497 1.879 0 O-C-N 120.947 -1.326 . . . . 0.0 110.376 -178.661 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . 0.424 ' O ' ' O ' ' A' ' 18' ' ' SER . 96.1 mt-10 -103.95 130.67 51.59 Favored 'General case' 0 N--CA 1.504 2.245 0 O-C-N 121.038 -1.039 . . . . 0.0 110.103 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 80.36 -15.81 16.3 Favored Glycine 0 N--CA 1.49 2.296 0 N-CA-C 110.373 -1.091 . . . . 0.0 110.373 179.271 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 89.7 m-20 51.92 51.13 17.12 Favored 'General case' 0 N--CA 1.497 1.901 0 O-C-N 120.999 -1.295 . . . . 0.0 109.826 179.916 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . 0.424 ' HG3' ' H ' ' A' ' 25' ' ' HIS . 5.3 tptm -165.01 -173.95 3.12 Favored 'General case' 0 N--CA 1.495 1.778 0 O-C-N 120.976 -1.077 . . . . 0.0 109.186 -179.688 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' HIS . . . . . 0.542 ' CD2' ' HD1' ' A' ' 15' ' ' HIS . 45.5 m80 -109.1 26.56 10.48 Favored 'General case' 0 N--CA 1.501 2.121 0 O-C-N 121.176 -0.952 . . . . 0.0 110.788 -178.582 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 22.1 pttp -130.08 154.14 47.75 Favored 'General case' 0 N--CA 1.501 2.08 0 O-C-N 121.099 -1.001 . . . . 0.0 108.881 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 38.3 mt -126.07 141.12 52.08 Favored 'General case' 0 N--CA 1.501 2.088 0 O-C-N 121.266 -0.896 . . . . 0.0 109.669 -179.071 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.495 ' CB ' ' HZ2' ' A' ' 28' ' ' LYS . 0.0 OUTLIER -96.41 -179.81 4.76 Favored 'General case' 0 N--CA 1.502 2.145 0 O-C-N 121.184 -0.947 . . . . 0.0 109.373 179.98 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 12.0 ttmm -60.15 -44.4 95.0 Favored 'General case' 0 N--CA 1.495 1.803 0 O-C-N 121.454 -0.779 . . . . 0.0 111.278 -178.558 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 73.3 m -60.05 -41.73 92.93 Favored 'General case' 0 N--CA 1.497 1.892 0 O-C-N 120.371 -1.456 . . . . 0.0 109.99 -179.085 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -70.5 -40.25 73.66 Favored 'General case' 0 N--CA 1.496 1.863 0 O-C-N 121.331 -0.856 . . . . 0.0 110.775 -179.568 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -60.16 -41.1 92.07 Favored 'General case' 0 N--CA 1.495 1.824 0 O-C-N 121.228 -0.92 . . . . 0.0 109.691 -179.103 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 81.2 tttt -59.76 -42.41 93.22 Favored 'General case' 0 C--N 1.304 -1.38 0 O-C-N 120.231 -1.543 . . . . 0.0 108.291 178.397 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 79.4 mm-40 -65.98 -38.53 88.78 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.479 -0.763 . . . . 0.0 110.22 -179.553 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -57.89 -46.85 84.27 Favored 'General case' 0 N--CA 1.497 1.901 0 O-C-N 121.381 -0.825 . . . . 0.0 110.517 -178.597 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 96.6 mt -60.17 -49.48 83.94 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.88 0 O-C-N 120.641 -1.287 . . . . 0.0 109.67 -179.026 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 86.3 m-20 -73.92 -27.23 60.92 Favored 'General case' 0 N--CA 1.488 1.427 0 O-C-N 121.168 -0.958 . . . . 0.0 109.979 179.587 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 45.3 t30 -60.42 -48.24 82.6 Favored 'General case' 0 N--CA 1.497 1.897 0 O-C-N 120.916 -1.115 . . . . 0.0 111.809 -178.529 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 42.1 mt-10 -120.05 -27.8 5.26 Favored 'General case' 0 N--CA 1.505 2.304 0 O-C-N 121.134 -0.979 . . . . 0.0 111.475 -177.609 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 75.1 mt -103.81 52.57 0.76 Allowed 'General case' 0 N--CA 1.501 2.117 0 O-C-N 121.062 -1.024 . . . . 0.0 110.117 -178.462 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' SER . . . . . 0.491 ' O ' ' O ' ' A' ' 44' ' ' LEU . 21.7 p -94.85 -54.63 3.4 Favored 'General case' 0 N--CA 1.5 2.061 0 O-C-N 121.146 -0.971 . . . . 0.0 110.226 179.9 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 84.0 t60 -61.07 -46.7 89.58 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 120.87 -1.144 . . . . 0.0 109.627 -179.506 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 27.0 m-85 -62.83 -40.91 98.85 Favored 'General case' 0 C--N 1.3 -1.57 0 O-C-N 121.184 -0.947 . . . . 0.0 110.381 -179.223 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.491 ' O ' ' O ' ' A' ' 41' ' ' SER . 87.8 mt -111.97 125.1 53.69 Favored 'General case' 0 N--CA 1.502 2.148 0 O-C-N 121.519 -0.738 . . . . 0.0 109.53 -179.517 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . 0.43 ' N ' ' OE2' ' A' ' 46' ' ' GLU . 85.3 tt0 -144.42 77.26 1.53 Allowed 'General case' 0 N--CA 1.495 1.782 0 CA-C-O 121.986 0.898 . . . . 0.0 109.061 179.207 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . 0.479 ' CD ' ' N ' ' A' ' 46' ' ' GLU . 1.3 pm0 -160.39 9.37 0.1 Allowed 'General case' 0 C--N 1.301 -1.533 0 O-C-N 121.05 -1.031 . . . . 0.0 109.13 179.947 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 82.5 mt -96.14 111.02 25.55 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.871 0 O-C-N 121.279 -0.888 . . . . 0.0 108.866 179.722 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 60.2 tttm -125.85 -14.87 6.07 Favored 'General case' 0 N--CA 1.496 1.847 0 N-CA-C 108.879 -0.786 . . . . 0.0 108.879 179.815 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 95.5 mt-10 -120.57 141.11 50.59 Favored 'General case' 0 N--CA 1.5 2.042 0 O-C-N 121.444 -0.785 . . . . 0.0 110.042 -179.174 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -68.01 -20.84 65.05 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.548 -0.72 . . . . 0.0 109.193 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -59.87 -40.23 87.95 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.093 -1.004 . . . . 0.0 108.956 179.43 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 70.9 t -60.02 -40.89 84.42 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.659 0 O-C-N 121.178 -0.951 . . . . 0.0 109.547 -179.587 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 54.1 t -61.18 -42.86 94.99 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.515 0 O-C-N 120.869 -1.144 . . . . 0.0 109.76 -179.52 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 90.3 m-20 -60.75 -43.05 98.43 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.401 -0.812 . . . . 0.0 109.984 -179.521 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 37.5 ttpt -61.34 -42.31 98.48 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.25 -0.906 . . . . 0.0 108.815 179.296 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 54.6 t -60.96 -40.64 86.14 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.946 0 O-C-N 121.233 -0.917 . . . . 0.0 109.776 179.773 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 81.7 mmm -61.7 -40.48 95.14 Favored 'General case' 0 C--N 1.299 -1.616 0 O-C-N 121.73 -0.606 . . . . 0.0 110.457 -179.282 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 86.5 mt-10 -61.91 -37.89 86.35 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 120.898 -1.126 . . . . 0.0 110.757 -179.698 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 88.2 m -72.53 -47.07 51.39 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 120.653 -1.28 . . . . 0.0 111.074 -178.222 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 2.2 pp -77.95 -40.1 40.51 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 120.956 -1.09 . . . . 0.0 111.053 -178.172 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 53.9 t0 -80.63 96.77 6.96 Favored 'General case' 0 N--CA 1.497 1.909 0 O-C-N 120.772 -1.205 . . . . 0.0 110.715 -179.461 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . 0.482 ' OE1' ' N ' ' A' ' 62' ' ' GLU . 54.1 mp0 -64.81 -39.91 94.36 Favored 'General case' 0 N--CA 1.496 1.836 0 O-C-N 121.166 -0.959 . . . . 0.0 108.974 178.632 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 95.0 m-20 -65.55 -43.69 89.13 Favored 'General case' 0 N--CA 1.503 2.188 0 O-C-N 121.002 -1.061 . . . . 0.0 109.955 -179.727 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 71.96 32.99 62.97 Favored Glycine 0 N--CA 1.492 2.387 0 N-CA-C 108.443 -1.863 . . . . 0.0 108.443 -178.745 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . 0.421 ' N ' ' OD1' ' A' ' 65' ' ' ASP . 39.0 p-10 -88.78 -2.2 58.47 Favored 'General case' 0 N--CA 1.489 1.475 0 O-C-N 121.376 -1.073 . . . . 0.0 110.036 -179.134 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 88.52 -3.65 85.18 Favored Glycine 0 N--CA 1.492 2.423 0 O-C-N 120.657 -1.277 . . . . 0.0 110.305 179.089 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 72.0 mm-40 -117.29 140.61 49.34 Favored 'General case' 0 N--CA 1.501 2.113 0 O-C-N 121.445 -1.032 . . . . 0.0 109.976 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 62.6 m -94.4 115.43 27.62 Favored 'General case' 0 N--CA 1.497 1.892 0 O-C-N 121.222 -0.924 . . . . 0.0 109.886 -179.701 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 82.3 m-20 -89.42 155.91 19.02 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.325 -0.86 . . . . 0.0 108.916 179.049 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 44.4 t80 -58.91 -44.86 91.36 Favored 'General case' 0 C--N 1.299 -1.597 0 O-C-N 121.448 -0.783 . . . . 0.0 110.01 -179.561 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 11.5 pt20 -60.92 -41.89 97.03 Favored 'General case' 0 N--CA 1.494 1.762 0 O-C-N 120.905 -1.122 . . . . 0.0 109.639 179.823 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 97.8 mt-10 -60.36 -38.64 84.48 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.313 -0.867 . . . . 0.0 109.125 178.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 54.8 t80 -60.03 -39.29 85.37 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.287 -0.883 . . . . 0.0 108.833 179.492 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 96.2 mmm -60.96 -39.43 89.52 Favored 'General case' 0 N--CA 1.496 1.837 0 O-C-N 120.542 -1.349 . . . . 0.0 108.842 179.796 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -60.25 -41.65 93.64 Favored 'General case' 0 N--CA 1.496 1.871 0 O-C-N 121.165 -0.959 . . . . 0.0 109.363 179.611 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 49.7 t80 -59.85 -42.38 93.49 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.235 -0.916 . . . . 0.0 109.542 -179.765 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 54.2 t -60.87 -40.13 84.23 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.621 0 O-C-N 121.294 -0.879 . . . . 0.0 109.473 179.812 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 59.6 p -66.96 -40.24 87.45 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 120.923 -1.111 . . . . 0.0 110.305 -179.826 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 57.0 ttp -60.78 -42.51 97.65 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 121.007 -1.058 . . . . 0.0 110.026 -179.133 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 54.3 t -64.89 -42.14 94.04 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.519 0 O-C-N 121.023 -1.048 . . . . 0.0 110.094 -179.507 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 41.3 m -66.8 -40.42 88.08 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.734 -0.604 . . . . 0.0 109.915 -179.408 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 17.1 p -63.7 -39.59 94.68 Favored 'General case' 0 C--N 1.304 -1.4 0 O-C-N 121.036 -1.04 . . . . 0.0 109.247 -179.844 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -67.35 -19.17 65.4 Favored 'General case' 0 N--CA 1.49 1.542 0 N-CA-C 108.789 -0.819 . . . . 0.0 108.789 179.852 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 84' ' ' CYS . . . . . 0.453 ' SG ' ' CD1' ' A' ' 88' ' ' PHE . 6.3 t -56.87 -171.33 0.01 OUTLIER 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.629 -0.669 . . . . 0.0 109.413 179.652 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 85' ' ' HIS . . . . . 0.494 ' CD2' ' O ' ' A' ' 87' ' ' PHE . 8.9 p-80 -134.11 175.91 9.06 Favored 'General case' 0 N--CA 1.502 2.148 0 O-C-N 121.276 -0.89 . . . . 0.0 110.168 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -53.64 -67.86 0.22 Allowed 'General case' 0 N--CA 1.497 1.888 0 O-C-N 121.678 -0.639 . . . . 0.0 111.785 -178.348 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 87' ' ' PHE . . . . . 0.494 ' O ' ' CD2' ' A' ' 85' ' ' HIS . 72.2 m-85 -88.39 114.29 24.86 Favored 'General case' 0 N--CA 1.502 2.148 0 O-C-N 120.934 -1.104 . . . . 0.0 110.619 -178.714 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . 0.453 ' CD1' ' SG ' ' A' ' 84' ' ' CYS . 15.9 t80 . . . . . 0 N--CA 1.5 2.054 0 O-C-N 121.304 -0.872 . . . . 0.0 110.267 179.27 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 36.5 t . . . . . 0 N--CA 1.493 1.712 0 CA-C-O 121.297 0.57 . . . . 0.0 109.621 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 42.1 mt-10 -69.67 -27.88 65.4 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.611 -0.681 . . . . 0.0 109.916 179.753 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 61.0 tp -59.67 -49.77 76.47 Favored 'General case' 0 N--CA 1.502 2.139 0 O-C-N 121.274 -0.891 . . . . 0.0 109.357 -179.792 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 52.7 tp10 -62.76 -40.31 96.89 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.11 -0.994 . . . . 0.0 109.459 179.457 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 2.3 tpmt? -60.69 -44.71 96.2 Favored 'General case' 0 N--CA 1.496 1.859 0 O-C-N 121.464 -0.772 . . . . 0.0 109.133 179.623 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -59.86 -38.39 82.0 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.223 -0.923 . . . . 0.0 109.067 179.353 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 7' ' ' MET . . . . . . . . . . . . . 54.5 ttm -61.07 -46.16 91.8 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.105 -0.997 . . . . 0.0 109.972 179.645 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 70.4 t -64.09 -44.21 97.64 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.976 0 O-C-N 121.285 -0.884 . . . . 0.0 109.933 -179.588 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.99 -41.05 95.7 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 121.555 -0.716 . . . . 0.0 109.979 -179.916 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 63.3 tp -60.05 -44.91 94.35 Favored 'General case' 0 N--CA 1.485 1.307 0 O-C-N 120.917 -1.114 . . . . 0.0 109.476 -179.734 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 96.2 mt -65.88 -41.22 89.57 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.562 0 O-C-N 120.806 -1.184 . . . . 0.0 110.263 -179.687 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 19.2 t0 -60.22 -43.46 95.98 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.034 -1.041 . . . . 0.0 110.581 -178.544 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 61.4 t -61.34 -47.59 92.75 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.535 0 O-C-N 120.949 -1.094 . . . . 0.0 109.693 -179.569 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 14' ' ' PHE . . . . . . . . . . . . . 67.8 t80 -60.52 -49.91 75.67 Favored 'General case' 0 C--N 1.304 -1.392 0 O-C-N 121.082 -1.012 . . . . 0.0 109.204 179.922 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 15' ' ' HIS . . . . . 0.524 ' HD1' ' CD2' ' B' ' 25' ' ' HIS . 86.6 t60 -63.02 -40.93 99.22 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.181 -0.949 . . . . 0.0 110.114 179.665 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 2.7 tp-100 -62.42 -52.44 63.55 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.446 -0.784 . . . . 0.0 110.008 -178.517 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 49.6 t80 -66.05 -47.84 73.03 Favored 'General case' 0 C--N 1.303 -1.422 0 O-C-N 121.095 -1.003 . . . . 0.0 109.565 -179.788 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 18' ' ' SER . . . . . 0.434 ' HG ' ' N ' ' B' ' 19' ' ' GLY . 95.6 p -68.05 -39.94 82.94 Favored 'General case' 0 N--CA 1.487 1.397 0 O-C-N 121.313 -0.867 . . . . 0.0 110.067 -179.451 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 19' ' ' GLY . . . . . 0.445 ' N ' ' O ' ' B' ' 15' ' ' HIS . . . -65.5 -47.79 74.79 Favored Glycine 0 N--CA 1.486 2.032 0 C-N-CA 119.82 -1.181 . . . . 0.0 111.038 -178.681 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -61.26 -41.8 97.53 Favored 'General case' 0 N--CA 1.494 1.762 0 O-C-N 121.0 -1.294 . . . . 0.0 110.158 -178.382 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 21' ' ' GLU . . . . . 0.431 ' O ' ' O ' ' B' ' 18' ' ' SER . 94.9 mt-10 -104.75 129.89 52.91 Favored 'General case' 0 N--CA 1.503 2.19 0 O-C-N 121.156 -0.965 . . . . 0.0 109.924 -179.801 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . 81.7 -15.91 22.86 Favored Glycine 0 N--CA 1.489 2.228 0 C-N-CA 120.016 -1.087 . . . . 0.0 110.709 179.225 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 88.6 m-20 51.59 49.85 20.02 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 120.973 -1.31 . . . . 0.0 110.166 179.764 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 24' ' ' LYS . . . . . 0.401 ' HG3' ' H ' ' B' ' 25' ' ' HIS . 4.7 tptm -164.69 -175.8 3.99 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 120.981 -1.074 . . . . 0.0 108.999 179.76 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 25' ' ' HIS . . . . . 0.524 ' CD2' ' HD1' ' B' ' 15' ' ' HIS . 44.5 m80 -106.02 25.76 10.54 Favored 'General case' 0 N--CA 1.5 2.063 0 O-C-N 121.253 -0.905 . . . . 0.0 111.173 -178.623 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 21.6 pttp -128.9 156.12 44.2 Favored 'General case' 0 N--CA 1.499 2.011 0 O-C-N 121.115 -0.991 . . . . 0.0 109.042 179.797 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 43.6 mt -127.58 141.08 51.73 Favored 'General case' 0 N--CA 1.502 2.161 0 O-C-N 121.64 -0.663 . . . . 0.0 110.015 -178.792 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 28' ' ' LYS . . . . . 0.531 ' CB ' ' HZ1' ' B' ' 28' ' ' LYS . 0.0 OUTLIER -96.11 178.71 5.31 Favored 'General case' 0 N--CA 1.499 1.987 0 O-C-N 121.228 -0.92 . . . . 0.0 109.742 179.898 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 11.4 ttmm -60.3 -42.5 95.66 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.344 -0.847 . . . . 0.0 111.034 -178.639 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 69.0 m -60.7 -41.87 96.06 Favored 'General case' 0 N--CA 1.496 1.827 0 O-C-N 120.789 -1.194 . . . . 0.0 109.93 -179.267 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -70.62 -40.32 73.23 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.787 -0.571 . . . . 0.0 110.889 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 32' ' ' LEU . . . . . 0.408 ' C ' ' CD1' ' B' ' 32' ' ' LEU . 2.9 tm? -60.27 -41.26 92.9 Favored 'General case' 0 N--CA 1.499 1.984 0 O-C-N 121.193 -0.942 . . . . 0.0 109.475 -179.139 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 79.4 tttt -59.41 -44.62 92.82 Favored 'General case' 0 N--CA 1.49 1.543 0 N-CA-C 108.067 -1.086 . . . . 0.0 108.067 178.495 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 34' ' ' GLU . . . . . 0.4 ' O ' ' N ' ' B' ' 38' ' ' ASN . 81.6 mm-40 -64.42 -39.75 94.44 Favored 'General case' 0 C--N 1.302 -1.477 0 O-C-N 121.173 -0.954 . . . . 0.0 110.311 -179.62 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -56.45 -48.52 76.87 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 121.354 -0.842 . . . . 0.0 110.605 -178.168 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 96.5 mt -59.36 -48.7 86.18 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.969 0 O-C-N 120.656 -1.277 . . . . 0.0 109.599 -178.708 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 88.5 m-20 -74.52 -25.87 59.62 Favored 'General case' 0 C--N 1.298 -1.671 0 O-C-N 121.057 -1.027 . . . . 0.0 110.129 179.894 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 38' ' ' ASN . . . . . 0.4 ' N ' ' O ' ' B' ' 34' ' ' GLU . 42.8 t30 -61.28 -49.64 76.24 Favored 'General case' 0 N--CA 1.495 1.812 0 O-C-N 121.135 -0.978 . . . . 0.0 111.734 -178.52 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 39.4 mt-10 -118.24 -28.96 5.67 Favored 'General case' 0 N--CA 1.502 2.149 0 O-C-N 121.325 -0.859 . . . . 0.0 111.483 -177.909 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 77.7 mt -102.14 52.06 0.82 Allowed 'General case' 0 N--CA 1.502 2.164 0 O-C-N 121.106 -0.997 . . . . 0.0 110.399 -178.276 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 41' ' ' SER . . . . . 0.451 ' O ' ' O ' ' B' ' 44' ' ' LEU . 11.9 p -94.84 -55.74 3.0 Favored 'General case' 0 N--CA 1.499 2.018 0 O-C-N 120.93 -1.106 . . . . 0.0 110.338 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 42' ' ' HIS . . . . . . . . . . . . . 84.0 t60 -59.99 -47.26 86.56 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 120.782 -1.199 . . . . 0.0 109.561 -179.3 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 27.8 m-85 -62.11 -40.08 94.7 Favored 'General case' 0 N--CA 1.495 1.777 0 O-C-N 121.211 -0.931 . . . . 0.0 110.295 -179.275 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 44' ' ' LEU . . . . . 0.451 ' O ' ' O ' ' B' ' 41' ' ' SER . 75.2 mt -113.97 124.2 51.58 Favored 'General case' 0 N--CA 1.502 2.151 0 O-C-N 121.284 -0.885 . . . . 0.0 109.638 -179.494 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 45' ' ' GLU . . . . . 0.464 ' N ' ' OE2' ' B' ' 46' ' ' GLU . 85.4 tt0 -142.82 77.66 1.58 Allowed 'General case' 0 N--CA 1.494 1.772 0 O-C-N 121.425 -0.797 . . . . 0.0 109.239 179.286 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 46' ' ' GLU . . . . . 0.508 ' N ' ' CD ' ' B' ' 46' ' ' GLU . 1.4 pm0 -160.27 8.37 0.09 Allowed 'General case' 0 N--CA 1.488 1.445 0 O-C-N 121.196 -0.94 . . . . 0.0 109.647 179.874 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 73.9 mt -94.56 114.61 31.51 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.601 0 N-CA-C 108.571 -0.9 . . . . 0.0 108.571 179.673 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 63.0 tttm -129.78 -14.53 4.03 Favored 'General case' 0 N--CA 1.501 2.082 0 N-CA-C 108.63 -0.878 . . . . 0.0 108.63 179.718 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 94.3 mt-10 -119.96 140.81 50.36 Favored 'General case' 0 N--CA 1.496 1.855 0 O-C-N 121.815 -0.553 . . . . 0.0 109.984 -179.335 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -68.5 -19.63 64.54 Favored 'General case' 0 N--CA 1.495 1.783 0 N-CA-C 108.808 -0.812 . . . . 0.0 108.808 179.625 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -60.31 -40.67 91.38 Favored 'General case' 0 C--N 1.301 -1.522 0 O-C-N 121.25 -0.906 . . . . 0.0 109.058 179.214 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 73.8 t -59.94 -41.51 86.26 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.653 0 O-C-N 121.001 -1.062 . . . . 0.0 109.504 -179.359 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 47.3 t -60.14 -44.04 94.35 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.533 0 O-C-N 121.2 -0.937 . . . . 0.0 109.843 -179.611 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 91.2 m-20 -60.86 -42.01 97.03 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.273 -0.892 . . . . 0.0 110.055 -179.6 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 38.0 ttpt -62.72 -39.98 95.76 Favored 'General case' 0 N--CA 1.497 1.889 0 O-C-N 121.267 -0.895 . . . . 0.0 109.111 179.516 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 55.7 t -63.17 -39.94 87.17 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.47 0 O-C-N 121.082 -1.011 . . . . 0.0 109.195 179.555 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 57' ' ' MET . . . . . . . . . . . . . 79.5 mmm -61.83 -40.07 93.99 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.285 -0.884 . . . . 0.0 110.621 -179.656 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 83.2 mt-10 -61.21 -39.64 91.01 Favored 'General case' 0 N--CA 1.494 1.743 0 O-C-N 121.072 -1.017 . . . . 0.0 110.619 -179.354 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 87.7 m -71.86 -45.64 60.68 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.0 -1.062 . . . . 0.0 111.671 -178.26 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 2.4 pp -79.64 -38.81 32.92 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 120.503 -1.373 . . . . 0.0 110.75 -178.282 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 53.1 t0 -80.89 97.15 7.28 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.131 -0.98 . . . . 0.0 110.541 -179.213 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 62' ' ' GLU . . . . . 0.483 ' OE1' ' N ' ' B' ' 62' ' ' GLU . 57.0 mp0 -65.61 -39.86 92.0 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.024 -1.048 . . . . 0.0 109.415 179.25 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 95.2 m-20 -65.71 -41.42 92.33 Favored 'General case' 0 N--CA 1.496 1.858 0 O-C-N 121.075 -1.016 . . . . 0.0 110.624 179.774 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 70.85 30.86 67.66 Favored Glycine 0 N--CA 1.495 2.586 0 N-CA-C 108.967 -1.653 . . . . 0.0 108.967 -178.733 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 41.6 p-10 -86.72 -3.63 59.07 Favored 'General case' 0 N--CA 1.495 1.79 0 O-C-N 121.267 -1.137 . . . . 0.0 110.798 -179.06 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 89.8 -4.01 83.29 Favored Glycine 0 N--CA 1.498 2.789 0 O-C-N 121.09 -1.006 . . . . 0.0 110.641 179.561 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 73.7 mm-40 -116.68 141.93 47.57 Favored 'General case' 0 N--CA 1.503 2.214 0 O-C-N 121.371 -1.076 . . . . 0.0 109.52 -179.506 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 68' ' ' CYS . . . . . . . . . . . . . 56.8 m -96.22 115.33 27.26 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.407 -0.808 . . . . 0.0 109.844 -179.472 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 81.0 m-20 -89.11 157.94 18.13 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.1 -1.0 . . . . 0.0 109.149 179.664 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 44.4 t80 -59.82 -44.9 93.78 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.346 -0.846 . . . . 0.0 109.716 -179.572 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 11.1 pt20 -60.81 -41.67 96.14 Favored 'General case' 0 N--CA 1.494 1.764 0 O-C-N 120.731 -1.23 . . . . 0.0 109.676 -179.805 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -60.38 -38.75 84.91 Favored 'General case' 0 C--N 1.299 -1.587 0 O-C-N 121.369 -0.832 . . . . 0.0 109.352 179.548 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 73' ' ' PHE . . . . . . . . . . . . . 58.7 t80 -60.02 -40.05 87.95 Favored 'General case' 0 C--N 1.303 -1.451 0 O-C-N 121.088 -1.008 . . . . 0.0 108.828 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 74' ' ' MET . . . . . . . . . . . . . 96.5 mmm -59.84 -40.0 87.05 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 120.721 -1.237 . . . . 0.0 109.193 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -59.93 -41.33 91.54 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.163 -0.96 . . . . 0.0 109.603 179.742 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 50.1 t80 -60.04 -42.68 94.95 Favored 'General case' 0 N--CA 1.487 1.406 0 O-C-N 121.321 -0.862 . . . . 0.0 109.315 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 77' ' ' VAL . . . . . . . . . . . . . 57.2 t -60.97 -39.52 82.41 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.667 0 O-C-N 121.24 -0.912 . . . . 0.0 109.409 179.676 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 78' ' ' SER . . . . . . . . . . . . . 79.9 p -67.23 -40.23 86.32 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 120.914 -1.116 . . . . 0.0 110.032 179.92 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 79' ' ' MET . . . . . . . . . . . . . 56.6 ttp -60.91 -41.9 97.01 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 121.257 -0.902 . . . . 0.0 110.398 -179.274 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 54.0 t -65.72 -42.83 93.38 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.552 0 O-C-N 121.14 -0.975 . . . . 0.0 109.753 -179.315 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 30.4 m -65.79 -40.13 91.66 Favored 'General case' 0 N--CA 1.499 1.987 0 O-C-N 121.272 -0.892 . . . . 0.0 109.975 179.911 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 18.1 p -63.79 -39.77 95.04 Favored 'General case' 0 N--CA 1.487 1.401 0 O-C-N 121.029 -1.044 . . . . 0.0 109.155 -179.812 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -67.49 -17.81 64.82 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.528 -0.733 . . . . 0.0 109.101 179.52 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 84' ' ' CYS . . . . . 0.449 ' SG ' ' CD1' ' B' ' 88' ' ' PHE . 5.9 t -58.81 -171.61 0.01 OUTLIER 'General case' 0 C--N 1.3 -1.547 0 O-C-N 121.532 -0.73 . . . . 0.0 109.173 179.75 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 85' ' ' HIS . . . . . 0.537 ' CD2' ' O ' ' B' ' 87' ' ' PHE . 10.8 p-80 -134.26 173.94 11.06 Favored 'General case' 0 N--CA 1.502 2.137 0 O-C-N 121.412 -0.805 . . . . 0.0 110.229 -179.948 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -51.34 -68.67 0.15 Allowed 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.582 -0.699 . . . . 0.0 111.877 -177.908 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 87' ' ' PHE . . . . . 0.537 ' O ' ' CD2' ' B' ' 85' ' ' HIS . 69.0 m-85 -87.25 116.36 25.28 Favored 'General case' 0 N--CA 1.504 2.231 0 O-C-N 120.664 -1.272 . . . . 0.0 110.864 -178.513 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 88' ' ' PHE . . . . . 0.449 ' CD1' ' SG ' ' B' ' 84' ' ' CYS . 17.0 t80 . . . . . 0 N--CA 1.503 2.205 0 O-C-N 121.036 -1.04 . . . . 0.0 110.418 179.519 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 17.9 m . . . . . 0 N--CA 1.497 1.916 0 N-CA-C 109.408 -0.59 . . . . 0.0 109.408 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 54.7 tp10 -60.77 -42.45 97.52 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.291 -0.881 . . . . 0.0 109.665 -179.869 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -60.48 -42.61 96.64 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.096 -1.002 . . . . 0.0 109.303 -179.369 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 49.2 tp10 -61.26 -42.89 99.41 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.217 -0.927 . . . . 0.0 110.589 -179.238 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 61.6 tttm -60.04 -44.33 94.74 Favored 'General case' 0 N--CA 1.494 1.756 0 O-C-N 121.1 -1.0 . . . . 0.0 110.374 -178.86 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -59.99 -45.21 93.47 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.188 -0.945 . . . . 0.0 109.649 -179.362 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 57.7 tpp -60.09 -46.16 90.5 Favored 'General case' 0 C--N 1.302 -1.487 0 O-C-N 121.404 -0.81 . . . . 0.0 109.591 -179.723 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 84.5 t -69.97 -41.49 79.41 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.518 0 O-C-N 121.253 -0.904 . . . . 0.0 110.541 -178.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.05 -40.88 90.95 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.028 -1.045 . . . . 0.0 109.622 -179.524 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -60.1 -50.92 71.81 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.278 -0.889 . . . . 0.0 109.286 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 96.6 mt -69.37 -40.73 80.4 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.651 0 O-C-N 121.119 -0.988 . . . . 0.0 109.754 -179.798 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . 0.468 ' O ' ' OE1' ' A' ' 16' ' ' GLN . 8.8 t0 -60.86 -49.8 76.02 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.307 -0.871 . . . . 0.0 110.25 -179.436 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 65.0 t -63.29 -41.84 94.24 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.574 0 O-C-N 120.792 -1.193 . . . . 0.0 109.708 -179.311 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 65.8 t80 -61.43 -48.12 82.65 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.286 -0.884 . . . . 0.0 110.946 -179.798 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 52.6 t-80 -70.68 -48.39 55.03 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.002 -1.061 . . . . 0.0 110.849 -178.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . 0.494 ' N ' ' OE1' ' A' ' 16' ' ' GLN . 9.2 mp0 -67.78 -42.95 80.87 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.036 -1.04 . . . . 0.0 110.96 -178.799 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . 0.563 ' CZ ' ' OD1' ' A' ' 38' ' ' ASN . 38.1 t80 -70.12 -41.53 73.82 Favored 'General case' 0 N--CA 1.494 1.736 0 O-C-N 120.569 -1.332 . . . . 0.0 110.739 -178.861 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 84.9 p -62.42 -39.96 95.01 Favored 'General case' 0 N--CA 1.494 1.748 0 O-C-N 121.166 -0.959 . . . . 0.0 111.056 -178.438 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -80.14 -9.98 86.01 Favored Glycine 0 N--CA 1.493 2.437 0 N-CA-C 109.575 -1.41 . . . . 0.0 109.575 -179.379 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 15.3 tpt180 -60.28 -39.94 88.68 Favored 'General case' 0 C--N 1.301 -1.533 0 O-C-N 121.434 -1.039 . . . . 0.0 109.927 -179.719 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 18.1 tt0 -97.17 1.08 49.42 Favored 'General case' 0 N--CA 1.494 1.763 0 O-C-N 121.325 -0.86 . . . . 0.0 110.115 -178.518 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 82.25 16.34 71.98 Favored Glycine 0 N--CA 1.492 2.426 0 N-CA-C 109.085 -1.606 . . . . 0.0 109.085 -179.7 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 94.8 m-20 -69.98 -16.96 63.27 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.354 -1.086 . . . . 0.0 109.371 179.878 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . 0.635 ' O ' ' CG ' ' A' ' 25' ' ' HIS . 43.5 mtmt 57.65 62.5 2.1 Favored 'General case' 0 N--CA 1.498 1.954 0 O-C-N 121.796 -0.565 . . . . 0.0 111.163 179.353 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' HIS . . . . . 0.635 ' CG ' ' O ' ' A' ' 24' ' ' LYS . 16.7 p80 49.74 44.6 24.85 Favored 'General case' 0 N--CA 1.5 2.043 0 O-C-N 121.983 -0.448 . . . . 0.0 111.926 178.635 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 54.4 mtmt -140.37 129.38 23.43 Favored 'General case' 0 N--CA 1.503 2.223 0 O-C-N 121.092 -1.005 . . . . 0.0 108.863 177.907 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 10.6 mp -101.77 119.62 39.08 Favored 'General case' 0 N--CA 1.502 2.172 0 O-C-N 121.039 -1.038 . . . . 0.0 109.973 -179.306 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 2.1 tppt? -114.78 178.98 4.08 Favored 'General case' 0 N--CA 1.501 2.098 0 N-CA-C 108.623 -0.88 . . . . 0.0 108.623 179.468 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 26.6 tptp -59.94 -40.84 90.32 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 120.978 -1.076 . . . . 0.0 109.91 179.699 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 87.1 p -62.24 -45.48 93.13 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 120.974 -1.079 . . . . 0.0 109.918 -179.69 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 83.1 tt0 -69.64 -39.94 76.82 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.37 -0.831 . . . . 0.0 110.691 -179.315 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 8.7 tt -60.11 -49.19 78.63 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.207 -0.933 . . . . 0.0 110.592 -177.951 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 58.0 tttm -59.93 -43.06 95.18 Favored 'General case' 0 C--N 1.302 -1.496 0 O-C-N 121.052 -1.03 . . . . 0.0 109.037 -178.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . 0.457 ' O ' ' ND2' ' A' ' 38' ' ' ASN . 80.4 mm-40 -70.0 -34.06 72.83 Favored 'General case' 0 C--N 1.302 -1.49 0 O-C-N 121.349 -0.844 . . . . 0.0 109.406 179.173 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 19.2 tp -60.03 -42.98 95.57 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.534 -0.729 . . . . 0.0 110.112 -178.455 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.413 HG22 HD11 ' A' ' 36' ' ' ILE . 95.7 mt -64.31 -39.93 87.26 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.65 0 O-C-N 121.064 -1.023 . . . . 0.0 110.187 -179.518 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . 0.45 ' O ' ' O ' ' A' ' 38' ' ' ASN . 3.0 m120 -69.12 -19.91 64.05 Favored 'General case' 0 N--CA 1.496 1.86 0 O-C-N 121.073 -1.017 . . . . 0.0 110.473 -179.317 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . 0.563 ' OD1' ' CZ ' ' A' ' 17' ' ' TYR . 4.4 m120 -45.75 -99.17 0.0 OUTLIER 'General case' 0 N--CA 1.494 1.76 0 O-C-N 121.209 -0.932 . . . . 0.0 111.015 -178.905 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 64.3 mm-40 -111.3 -3.28 15.38 Favored 'General case' 0 N--CA 1.496 1.865 0 O-C-N 121.514 -0.741 . . . . 0.0 109.721 -178.866 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 10.7 mp -93.14 121.24 34.3 Favored 'General case' 0 N--CA 1.496 1.829 0 O-C-N 121.211 -0.931 . . . . 0.0 109.445 -179.732 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 2.9 t -153.3 -53.88 0.11 Allowed 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.329 -0.857 . . . . 0.0 109.19 179.554 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 94.6 m-70 -69.31 -40.14 77.85 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.608 -0.682 . . . . 0.0 110.726 -179.235 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . 0.478 ' CZ ' ' SG ' ' A' ' 84' ' ' CYS . 3.2 t80 -72.18 -43.72 64.12 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.097 -1.002 . . . . 0.0 110.467 -178.168 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -90.31 -77.7 0.39 Allowed 'General case' 0 N--CA 1.499 1.999 0 O-C-N 120.919 -1.113 . . . . 0.0 110.072 -179.693 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . 0.441 ' O ' ' C ' ' A' ' 46' ' ' GLU . 27.8 tt0 62.79 -124.85 0.64 Allowed 'General case' 0 N--CA 1.49 1.573 0 N-CA-C 108.196 -1.038 . . . . 0.0 108.196 -178.347 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . 0.441 ' C ' ' O ' ' A' ' 45' ' ' GLU . 9.2 pt-20 36.48 -149.32 0.01 OUTLIER 'General case' 0 N--CA 1.502 2.17 0 O-C-N 121.546 -0.721 . . . . 0.0 110.959 179.332 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 41.0 mt 56.38 83.32 0.06 OUTLIER 'Isoleucine or valine' 0 N--CA 1.494 1.753 0 O-C-N 121.222 -0.924 . . . . 0.0 109.066 -179.865 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 25.8 mttm -92.65 -13.27 29.75 Favored 'General case' 0 N--CA 1.494 1.77 0 O-C-N 121.268 -0.895 . . . . 0.0 109.721 -179.216 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -141.32 156.51 45.84 Favored 'General case' 0 N--CA 1.498 1.973 0 O-C-N 121.133 -0.979 . . . . 0.0 109.936 -179.819 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . 0.531 ' OE1' ' N ' ' A' ' 50' ' ' GLN . 5.0 mp0 -69.92 -28.9 65.98 Favored 'General case' 0 N--CA 1.492 1.675 0 O-C-N 121.351 -0.843 . . . . 0.0 109.719 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 53.9 tp10 -59.93 -36.41 76.98 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.188 -0.945 . . . . 0.0 109.538 -178.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 87.5 t -60.05 -40.16 82.41 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.637 0 O-C-N 120.85 -1.156 . . . . 0.0 109.034 -179.809 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 89.8 t -61.51 -41.34 89.72 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.614 0 O-C-N 120.909 -1.119 . . . . 0.0 108.977 179.751 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 99.4 m-20 -61.12 -40.08 92.41 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.186 -0.946 . . . . 0.0 109.591 179.821 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -63.78 -40.01 95.64 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.29 -0.881 . . . . 0.0 108.971 179.807 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 55.8 t -60.05 -42.68 90.61 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.398 0 O-C-N 121.244 -0.91 . . . . 0.0 108.993 179.669 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 77.3 mmm -61.62 -45.68 93.04 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.227 -0.921 . . . . 0.0 109.88 179.114 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 46.0 mt-10 -69.99 -40.98 74.99 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.194 -0.941 . . . . 0.0 110.376 -179.69 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 94.6 m -70.26 -44.68 67.96 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.153 -0.967 . . . . 0.0 109.988 -179.675 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 51.4 tp -60.1 -50.06 75.18 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.088 -1.007 . . . . 0.0 109.646 -179.721 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . 0.428 ' OD1' ' OE1' ' A' ' 72' ' ' GLU . 96.8 m-20 -82.72 109.89 17.29 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.186 -0.946 . . . . 0.0 110.009 -179.72 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . 0.452 ' CD ' ' N ' ' A' ' 62' ' ' GLU . 5.4 mp0 -61.62 -39.99 93.25 Favored 'General case' 0 C--N 1.302 -1.468 0 O-C-N 121.473 -0.767 . . . . 0.0 109.093 179.012 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 35.3 p-10 -76.84 -10.01 59.08 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.326 -0.859 . . . . 0.0 109.059 179.857 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 54.11 50.82 53.95 Favored Glycine 0 N--CA 1.491 2.348 0 N-CA-C 110.37 -1.092 . . . . 0.0 110.37 179.104 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . 0.433 ' O ' ' OE1' ' A' ' 67' ' ' GLU . 35.4 p-10 -79.65 -12.76 59.81 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.091 -1.24 . . . . 0.0 109.784 -179.862 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 83.51 4.9 88.98 Favored Glycine 0 N--CA 1.494 2.528 0 C-N-CA 120.086 -1.054 . . . . 0.0 110.47 179.149 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . 0.433 ' OE1' ' O ' ' A' ' 65' ' ' ASP . 24.5 mp0 -138.15 153.13 49.23 Favored 'General case' 0 N--CA 1.499 1.99 0 O-C-N 121.092 -1.24 . . . . 0.0 109.205 179.558 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -118.17 122.68 43.65 Favored 'General case' 0 N--CA 1.5 2.031 0 O-C-N 121.479 -0.763 . . . . 0.0 109.72 -179.712 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 94.3 m-20 -90.03 177.91 6.34 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.526 -0.734 . . . . 0.0 109.23 179.358 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 56.7 t80 -59.99 -48.14 82.95 Favored 'General case' 0 C--N 1.302 -1.497 0 O-C-N 121.581 -0.699 . . . . 0.0 109.843 179.901 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 26.6 mm100 -59.94 -40.39 88.79 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.024 -1.047 . . . . 0.0 109.596 -179.88 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . 0.428 ' OE1' ' OD1' ' A' ' 61' ' ' ASP . 44.0 mt-10 -68.71 -39.92 80.24 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.136 -0.977 . . . . 0.0 109.057 179.233 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 93.9 t80 -59.94 -41.36 91.64 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.405 -0.81 . . . . 0.0 109.633 -179.886 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 94.2 mmm -60.09 -39.99 88.03 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.252 -0.905 . . . . 0.0 109.433 179.63 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -59.96 -40.01 87.61 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.279 -0.888 . . . . 0.0 110.144 -179.396 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 70.2 t80 -60.11 -40.54 90.05 Favored 'General case' 0 C--N 1.301 -1.541 0 O-C-N 121.192 -0.943 . . . . 0.0 110.891 -179.434 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 53.8 t -61.17 -41.01 87.8 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.723 0 O-C-N 120.871 -1.143 . . . . 0.0 109.555 -179.644 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 76.7 p -67.45 -40.01 85.4 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.182 -0.948 . . . . 0.0 110.293 -179.819 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 98.2 mtp -59.97 -43.98 94.73 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.042 -1.036 . . . . 0.0 109.977 -179.229 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 79.3 t -70.03 -40.15 78.16 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.484 0 O-C-N 121.115 -0.991 . . . . 0.0 109.558 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 86.4 m -61.0 -40.56 93.98 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 121.304 -0.873 . . . . 0.0 109.945 -179.403 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 90.0 m -60.44 -42.15 95.52 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.093 -1.004 . . . . 0.0 110.336 -178.412 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -62.56 -42.22 99.4 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 120.906 -1.121 . . . . 0.0 109.084 179.835 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 84' ' ' CYS . . . . . 0.478 ' SG ' ' CZ ' ' A' ' 43' ' ' PHE . 14.7 m -80.34 133.06 35.89 Favored 'General case' 0 N--CA 1.488 1.462 0 O-C-N 121.438 -0.789 . . . . 0.0 109.001 179.662 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 85' ' ' HIS . . . . . 0.486 ' O ' ' CB ' ' A' ' 86' ' ' GLU . 54.0 p-80 -158.54 -166.23 1.85 Allowed 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.206 -0.934 . . . . 0.0 109.861 -179.543 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . 0.49 ' C ' ' CG ' ' A' ' 87' ' ' PHE . 1.3 tm-20 79.04 20.3 0.73 Allowed 'General case' 0 N--CA 1.495 1.803 0 N-CA-C 109.043 -0.725 . . . . 0.0 109.043 -179.6 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 87' ' ' PHE . . . . . 0.493 ' N ' ' CD1' ' A' ' 87' ' ' PHE . 0.1 OUTLIER 40.29 89.93 0.01 OUTLIER 'General case' 0 N--CA 1.499 1.978 0 O-C-N 121.595 -0.691 . . . . 0.0 109.189 -179.942 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 37.1 t80 . . . . . 0 C--N 1.301 -1.523 0 O-C-N 121.384 -0.823 . . . . 0.0 109.746 -178.596 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 14.6 m . . . . . 0 N--CA 1.495 1.823 0 N-CA-C 109.362 -0.607 . . . . 0.0 109.362 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 54.6 tp10 -60.8 -42.21 97.16 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.266 -0.896 . . . . 0.0 109.673 -179.849 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -60.67 -42.55 97.3 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.173 -0.954 . . . . 0.0 109.33 -179.175 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 49.4 tp10 -61.41 -42.7 99.16 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.184 -0.948 . . . . 0.0 110.639 -179.327 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 62.6 tttm -60.03 -44.65 94.47 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.005 -1.059 . . . . 0.0 110.409 -178.929 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -60.1 -45.18 93.82 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.193 -0.942 . . . . 0.0 109.689 -179.351 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 7' ' ' MET . . . . . . . . . . . . . 56.0 tpp -59.94 -45.78 91.53 Favored 'General case' 0 C--N 1.301 -1.526 0 O-C-N 121.394 -0.816 . . . . 0.0 109.599 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 79.3 t -70.0 -41.91 79.44 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.554 0 O-C-N 121.293 -0.879 . . . . 0.0 110.468 -179.003 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.32 -40.6 91.17 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 120.907 -1.121 . . . . 0.0 109.685 -179.471 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -60.25 -51.23 70.43 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.191 -0.943 . . . . 0.0 109.052 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 96.6 mt -68.78 -41.04 82.18 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.592 0 O-C-N 121.073 -1.017 . . . . 0.0 109.81 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 12' ' ' ASP . . . . . 0.466 ' O ' ' OE1' ' B' ' 16' ' ' GLN . 8.7 t0 -60.95 -49.29 78.07 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.19 -0.944 . . . . 0.0 110.342 -179.287 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 76.6 t -63.72 -42.02 94.57 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.635 0 O-C-N 120.813 -1.18 . . . . 0.0 109.695 -179.318 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 14' ' ' PHE . . . . . . . . . . . . . 64.9 t80 -60.89 -48.5 81.52 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.368 -0.832 . . . . 0.0 110.93 -179.875 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 53.3 t-80 -70.53 -48.58 54.79 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 120.917 -1.114 . . . . 0.0 110.781 -178.924 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 16' ' ' GLN . . . . . 0.499 ' OE1' ' N ' ' B' ' 16' ' ' GLN . 9.2 mp0 -67.29 -42.85 83.06 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 120.975 -1.078 . . . . 0.0 111.008 -178.942 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 17' ' ' TYR . . . . . 0.561 ' CZ ' ' OD1' ' B' ' 38' ' ' ASN . 40.2 t80 -70.46 -41.45 72.75 Favored 'General case' 0 N--CA 1.496 1.836 0 O-C-N 120.598 -1.314 . . . . 0.0 110.779 -178.879 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 83.1 p -62.24 -40.03 94.8 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.159 -0.963 . . . . 0.0 111.107 -178.583 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -80.21 -10.1 85.84 Favored Glycine 0 N--CA 1.493 2.471 0 N-CA-C 109.693 -1.363 . . . . 0.0 109.693 -179.413 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 14.9 tpt180 -59.96 -40.11 87.89 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.429 -1.042 . . . . 0.0 109.84 -179.722 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 14.0 tt0 -96.77 0.29 49.21 Favored 'General case' 0 N--CA 1.495 1.775 0 O-C-N 121.476 -0.765 . . . . 0.0 110.058 -178.55 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . 82.28 16.79 70.71 Favored Glycine 0 N--CA 1.492 2.425 0 N-CA-C 109.185 -1.566 . . . . 0.0 109.185 -179.459 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 94.9 m-20 -69.99 -16.75 63.23 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.523 -0.986 . . . . 0.0 109.226 179.726 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 24' ' ' LYS . . . . . 0.635 ' O ' ' CG ' ' B' ' 25' ' ' HIS . 42.1 mtmt 57.48 62.33 2.19 Favored 'General case' 0 N--CA 1.497 1.882 0 O-C-N 121.775 -0.578 . . . . 0.0 111.096 179.352 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 25' ' ' HIS . . . . . 0.635 ' CG ' ' O ' ' B' ' 24' ' ' LYS . 17.0 p80 49.61 45.05 24.55 Favored 'General case' 0 N--CA 1.5 2.061 0 CA-C-O 121.082 0.468 . . . . 0.0 111.983 178.678 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 54.7 mtmt -140.44 129.68 23.72 Favored 'General case' 0 N--CA 1.502 2.161 0 O-C-N 121.157 -0.964 . . . . 0.0 108.739 177.729 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 10.8 mp -101.86 119.5 38.89 Favored 'General case' 0 N--CA 1.501 2.087 0 O-C-N 121.057 -1.027 . . . . 0.0 109.924 -179.571 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 28' ' ' LYS . . . . . 0.403 ' HG3' ' H ' ' B' ' 29' ' ' LYS . 2.4 tppt? -115.04 179.06 4.06 Favored 'General case' 0 N--CA 1.5 2.073 0 N-CA-C 108.554 -0.906 . . . . 0.0 108.554 179.546 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 29' ' ' LYS . . . . . 0.403 ' H ' ' HG3' ' B' ' 28' ' ' LYS . 26.9 tptp -60.0 -40.48 89.34 Favored 'General case' 0 N--CA 1.495 1.814 0 O-C-N 120.846 -1.159 . . . . 0.0 109.952 179.776 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 81.1 p -62.24 -45.98 90.92 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.125 -0.984 . . . . 0.0 109.988 -179.631 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 84.2 tt0 -69.8 -39.98 76.24 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.367 -0.833 . . . . 0.0 110.731 -179.16 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 9.1 tt -60.04 -48.84 80.03 Favored 'General case' 0 N--CA 1.495 1.82 0 O-C-N 121.115 -0.99 . . . . 0.0 110.533 -178.087 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 53.4 tttm -59.92 -43.4 94.93 Favored 'General case' 0 C--N 1.301 -1.529 0 O-C-N 120.984 -1.073 . . . . 0.0 108.986 -179.13 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 34' ' ' GLU . . . . . 0.466 ' O ' ' ND2' ' B' ' 38' ' ' ASN . 80.8 mm-40 -69.92 -34.51 73.56 Favored 'General case' 0 C--N 1.301 -1.528 0 O-C-N 121.454 -0.779 . . . . 0.0 109.394 179.213 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 16.4 tp -59.97 -42.29 93.79 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.512 -0.742 . . . . 0.0 109.988 -178.496 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 96.8 mt -64.56 -40.04 87.67 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.689 0 O-C-N 120.998 -1.064 . . . . 0.0 110.206 -179.606 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 37' ' ' ASN . . . . . 0.461 ' O ' ' O ' ' B' ' 38' ' ' ASN . 3.1 m120 -68.86 -19.93 64.26 Favored 'General case' 0 N--CA 1.495 1.778 0 O-C-N 121.008 -1.058 . . . . 0.0 110.659 -179.289 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 38' ' ' ASN . . . . . 0.561 ' OD1' ' CZ ' ' B' ' 17' ' ' TYR . 4.1 m120 -45.37 -99.57 0.0 OUTLIER 'General case' 0 N--CA 1.494 1.763 0 O-C-N 121.252 -0.905 . . . . 0.0 110.979 -178.854 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 62.2 mm-40 -111.21 -2.94 15.57 Favored 'General case' 0 N--CA 1.495 1.79 0 O-C-N 121.495 -0.753 . . . . 0.0 109.704 -179.028 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 10.5 mp -93.25 121.81 35.0 Favored 'General case' 0 N--CA 1.496 1.868 0 O-C-N 121.148 -0.97 . . . . 0.0 109.41 -179.902 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 3.2 t -153.79 -53.74 0.1 Allowed 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.404 -0.81 . . . . 0.0 109.21 179.637 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 42' ' ' HIS . . . . . . . . . . . . . 93.0 m-70 -69.66 -40.13 76.63 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.568 -0.708 . . . . 0.0 110.55 -179.257 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 43' ' ' PHE . . . . . 0.477 ' CZ ' ' SG ' ' B' ' 84' ' ' CYS . 3.0 t80 -71.7 -43.74 65.41 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.199 -0.938 . . . . 0.0 110.594 -178.165 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -90.84 -77.74 0.4 Allowed 'General case' 0 N--CA 1.499 1.99 0 O-C-N 120.972 -1.08 . . . . 0.0 110.084 -179.574 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 45' ' ' GLU . . . . . 0.438 ' O ' ' C ' ' B' ' 46' ' ' GLU . 28.3 tt0 63.19 -124.4 0.59 Allowed 'General case' 0 N--CA 1.491 1.589 0 N-CA-C 108.186 -1.042 . . . . 0.0 108.186 -178.41 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 46' ' ' GLU . . . . . 0.438 ' C ' ' O ' ' B' ' 45' ' ' GLU . 9.0 pt-20 36.01 -148.71 0.01 OUTLIER 'General case' 0 N--CA 1.502 2.174 0 O-C-N 121.578 -0.701 . . . . 0.0 111.007 179.466 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 46.1 mt 55.91 83.8 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.495 1.787 0 O-C-N 121.224 -0.923 . . . . 0.0 108.924 -179.72 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 26.9 mttm -93.04 -13.37 28.73 Favored 'General case' 0 N--CA 1.494 1.765 0 O-C-N 121.261 -0.9 . . . . 0.0 109.574 -179.295 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -141.24 156.23 45.92 Favored 'General case' 0 N--CA 1.499 2.011 0 O-C-N 121.155 -0.966 . . . . 0.0 109.978 -179.78 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 50' ' ' GLN . . . . . 0.54 ' N ' ' OE1' ' B' ' 50' ' ' GLN . 5.1 mp0 -69.96 -28.54 65.63 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.382 -0.824 . . . . 0.0 109.816 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 53.7 tp10 -59.98 -36.42 77.12 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.098 -1.002 . . . . 0.0 109.362 -179.07 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 83.1 t -59.95 -40.14 82.15 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.69 0 O-C-N 120.908 -1.12 . . . . 0.0 109.197 -179.765 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 72.0 t -61.59 -41.31 89.76 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.632 0 O-C-N 120.889 -1.132 . . . . 0.0 108.903 179.595 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 99.4 m-20 -60.85 -40.01 91.28 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.278 -0.889 . . . . 0.0 109.721 179.792 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -63.9 -40.01 95.51 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.276 -0.89 . . . . 0.0 108.968 179.634 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 55.3 t -60.03 -43.31 92.35 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.416 0 O-C-N 121.303 -0.873 . . . . 0.0 108.903 179.91 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 57' ' ' MET . . . . . . . . . . . . . 74.3 mmm -61.13 -45.63 93.87 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.239 -0.913 . . . . 0.0 109.908 179.071 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -69.75 -41.24 75.5 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.218 -0.926 . . . . 0.0 110.45 -179.65 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 94.1 m -70.14 -45.26 67.17 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.202 -0.936 . . . . 0.0 110.183 -179.785 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 54.1 tp -59.98 -49.99 75.51 Favored 'General case' 0 N--CA 1.488 1.46 0 O-C-N 121.109 -0.995 . . . . 0.0 109.652 -179.67 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 61' ' ' ASP . . . . . 0.426 ' OD1' ' OE1' ' B' ' 72' ' ' GLU . 97.0 m-20 -82.33 109.8 16.91 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.082 -1.011 . . . . 0.0 110.076 -179.854 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 62' ' ' GLU . . . . . 0.453 ' N ' ' CD ' ' B' ' 62' ' ' GLU . 5.6 mp0 -62.18 -39.95 94.41 Favored 'General case' 0 N--CA 1.487 1.413 0 O-C-N 121.449 -0.782 . . . . 0.0 109.068 179.047 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 35.1 p-10 -76.8 -10.02 59.08 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.345 -0.847 . . . . 0.0 109.024 179.811 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 53.99 51.35 50.42 Favored Glycine 0 N--CA 1.492 2.378 0 N-CA-C 110.355 -1.098 . . . . 0.0 110.355 178.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 65' ' ' ASP . . . . . 0.44 ' O ' ' OE1' ' B' ' 67' ' ' GLU . 37.0 p-10 -80.0 -12.24 59.72 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 120.95 -1.323 . . . . 0.0 109.93 -179.94 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 83.44 4.85 89.11 Favored Glycine 0 N--CA 1.494 2.56 0 C-N-CA 120.08 -1.057 . . . . 0.0 110.474 179.351 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 67' ' ' GLU . . . . . 0.44 ' OE1' ' O ' ' B' ' 65' ' ' ASP . 24.4 mp0 -138.19 153.6 49.16 Favored 'General case' 0 N--CA 1.5 2.072 0 O-C-N 121.113 -1.227 . . . . 0.0 109.304 179.613 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 68' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -118.87 122.6 42.69 Favored 'General case' 0 N--CA 1.5 2.057 0 O-C-N 121.513 -0.742 . . . . 0.0 109.687 -179.874 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 94.1 m-20 -89.9 178.1 6.31 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.405 -0.809 . . . . 0.0 109.216 179.39 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 56.8 t80 -59.91 -48.17 82.79 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.46 -0.775 . . . . 0.0 109.834 179.922 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 25.4 mm100 -60.39 -40.02 89.36 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.0 -1.062 . . . . 0.0 109.497 -179.706 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 72' ' ' GLU . . . . . 0.426 ' OE1' ' OD1' ' B' ' 61' ' ' ASP . 45.1 mt-10 -68.71 -39.91 80.21 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.127 -0.983 . . . . 0.0 108.93 179.125 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 73' ' ' PHE . . . . . . . . . . . . . 93.8 t80 -59.96 -41.38 91.82 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.541 -0.724 . . . . 0.0 109.73 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 74' ' ' MET . . . . . . . . . . . . . 94.2 mmm -60.24 -39.97 88.59 Favored 'General case' 0 C--N 1.302 -1.48 0 O-C-N 121.231 -0.918 . . . . 0.0 109.412 179.784 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -60.12 -40.0 88.19 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.257 -0.902 . . . . 0.0 110.116 -179.492 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 68.2 t80 -60.04 -40.24 88.7 Favored 'General case' 0 C--N 1.302 -1.488 0 O-C-N 121.228 -0.92 . . . . 0.0 110.792 -179.24 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 77' ' ' VAL . . . . . . . . . . . . . 54.3 t -61.06 -41.83 90.76 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.741 0 O-C-N 120.878 -1.139 . . . . 0.0 109.692 -179.748 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 78' ' ' SER . . . . . . . . . . . . . 66.1 p -67.01 -39.92 87.19 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.152 -0.968 . . . . 0.0 110.249 -179.708 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 79' ' ' MET . . . . . . . . . . . . . 98.2 mtp -60.01 -43.54 95.16 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.104 -0.998 . . . . 0.0 109.843 -178.881 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 70.2 t -70.1 -40.59 78.5 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.511 0 O-C-N 121.099 -1.001 . . . . 0.0 109.579 179.887 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 92.5 m -61.14 -40.02 92.25 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.15 -0.969 . . . . 0.0 110.149 -179.142 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 87.3 m -60.32 -42.37 95.48 Favored 'General case' 0 N--CA 1.494 1.739 0 O-C-N 121.131 -0.981 . . . . 0.0 110.322 -178.915 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -62.55 -42.19 99.37 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 120.886 -1.134 . . . . 0.0 109.085 -179.919 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 84' ' ' CYS . . . . . 0.477 ' SG ' ' CZ ' ' B' ' 43' ' ' PHE . 14.7 m -80.56 133.38 35.78 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.446 -0.784 . . . . 0.0 108.893 179.629 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 85' ' ' HIS . . . . . 0.489 ' O ' ' CB ' ' B' ' 86' ' ' GLU . 53.6 p-80 -158.6 -165.9 1.77 Allowed 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.098 -1.001 . . . . 0.0 109.856 -179.575 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 86' ' ' GLU . . . . . 0.492 ' C ' ' CG ' ' B' ' 87' ' ' PHE . 1.4 tm-20 78.37 21.17 0.84 Allowed 'General case' 0 N--CA 1.494 1.756 0 O-C-N 121.607 -0.683 . . . . 0.0 109.186 -179.692 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 87' ' ' PHE . . . . . 0.495 ' N ' ' CD1' ' B' ' 87' ' ' PHE . 0.1 OUTLIER 39.93 90.04 0.01 OUTLIER 'General case' 0 N--CA 1.502 2.129 0 N-CA-C 109.267 -0.642 . . . . 0.0 109.267 179.919 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 36.2 t80 . . . . . 0 C--N 1.299 -1.596 0 O-C-N 121.398 -0.814 . . . . 0.0 109.682 -178.738 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 36.2 m . . . . . 0 N--CA 1.49 1.537 0 N-CA-C 109.084 -0.71 . . . . 0.0 109.084 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 13.9 pt-20 -66.44 -39.24 88.77 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.318 -0.864 . . . . 0.0 110.535 -179.329 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 25.2 tp -59.88 -44.98 93.89 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 120.903 -1.123 . . . . 0.0 108.883 -179.419 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 39.3 mm-40 -59.99 -40.23 88.44 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.308 -0.87 . . . . 0.0 109.906 -179.325 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 59.8 tttm -62.17 -40.03 94.65 Favored 'General case' 0 C--N 1.302 -1.459 0 O-C-N 121.119 -0.988 . . . . 0.0 109.595 -179.521 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -69.54 -40.05 77.08 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.101 -0.999 . . . . 0.0 109.501 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 9.7 ttp -66.78 -40.01 88.01 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.161 -0.962 . . . . 0.0 108.792 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 54.5 t -67.43 -39.96 83.62 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.565 0 O-C-N 121.416 -0.802 . . . . 0.0 109.221 179.209 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -57.02 -39.97 75.77 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.239 -0.913 . . . . 0.0 109.988 -178.737 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 98.0 mt -60.11 -42.74 95.39 Favored 'General case' 0 C--N 1.301 -1.501 0 O-C-N 120.754 -1.216 . . . . 0.0 108.398 179.489 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . 0.432 HD11 HG22 ' A' ' 11' ' ' ILE . 93.3 mt -73.65 -42.34 55.15 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.62 0 O-C-N 121.339 -0.851 . . . . 0.0 110.087 179.24 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -69.95 -40.57 75.39 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.24 -0.912 . . . . 0.0 110.202 -179.039 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 54.5 t -65.2 -39.95 87.13 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.668 0 O-C-N 121.334 -0.854 . . . . 0.0 109.666 -179.873 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 46.7 t80 -59.95 -44.21 94.54 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.203 -0.936 . . . . 0.0 109.646 -179.005 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 3.9 m-70 -61.57 -49.09 78.05 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.109 -0.994 . . . . 0.0 109.639 -179.94 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 4.7 tp-100 -69.91 -41.19 75.02 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.371 -0.831 . . . . 0.0 110.037 -179.706 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . 0.527 ' HH ' ' N ' ' A' ' 35' ' ' LEU . 9.5 t80 -69.92 -40.01 75.82 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.111 -0.993 . . . . 0.0 109.487 -179.287 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' SER . . . . . 0.539 ' C ' ' H ' ' A' ' 20' ' ' ARG . 59.2 p -71.42 -37.06 71.49 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.124 -0.985 . . . . 0.0 109.953 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -68.39 15.54 0.58 Allowed Glycine 0 N--CA 1.493 2.469 0 N-CA-C 110.382 -1.087 . . . . 0.0 110.382 -179.147 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . 0.539 ' H ' ' C ' ' A' ' 18' ' ' SER . 1.5 tpt180 -60.01 -40.08 88.04 Favored 'General case' 0 C--N 1.3 -1.55 0 O-C-N 121.128 -1.219 . . . . 0.0 109.117 -179.829 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -135.61 -164.65 1.57 Allowed 'General case' 0 N--CA 1.498 1.96 0 O-C-N 121.465 -0.772 . . . . 0.0 109.716 -179.57 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -58.79 -29.04 63.95 Favored Glycine 0 N--CA 1.491 2.303 0 N-CA-C 110.441 -1.064 . . . . 0.0 110.441 -179.579 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 84.2 m-20 -70.17 103.54 2.36 Favored 'General case' 0 N--CA 1.494 1.749 0 O-C-N 120.885 -1.362 . . . . 0.0 109.382 -179.721 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 47.6 tttp -103.4 -34.54 8.7 Favored 'General case' 0 N--CA 1.499 1.986 0 O-C-N 121.45 -0.781 . . . . 0.0 110.648 -179.228 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 91.4 m-70 -94.53 -1.07 54.08 Favored 'General case' 0 N--CA 1.501 2.104 0 O-C-N 120.793 -1.192 . . . . 0.0 111.593 -178.272 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 58.9 pttt -150.82 161.69 42.18 Favored 'General case' 0 N--CA 1.499 1.988 0 O-C-N 120.48 -1.388 . . . . 0.0 110.78 -179.621 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 84.7 mt -115.91 137.12 52.4 Favored 'General case' 0 N--CA 1.498 1.952 0 N-CA-C 108.967 -0.753 . . . . 0.0 108.967 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 8.7 mtmp? -94.96 179.78 5.11 Favored 'General case' 0 N--CA 1.497 1.913 0 O-C-N 121.09 -1.006 . . . . 0.0 109.342 179.87 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 34.6 ttmt -59.97 -40.06 87.79 Favored 'General case' 0 N--CA 1.495 1.794 0 O-C-N 121.339 -0.851 . . . . 0.0 110.668 -179.3 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' SER . . . . . 0.437 ' OG ' ' OE1' ' A' ' 31' ' ' GLU . 91.7 p -59.9 -40.04 87.4 Favored 'General case' 0 N--CA 1.494 1.774 0 O-C-N 120.952 -1.092 . . . . 0.0 110.464 -178.64 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . 0.567 ' N ' ' OE1' ' A' ' 31' ' ' GLU . 7.6 mp0 -66.84 -37.29 84.2 Favored 'General case' 0 C--N 1.299 -1.621 0 O-C-N 120.891 -1.131 . . . . 0.0 109.765 179.916 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 28.9 tp -60.0 -47.66 84.9 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.411 -0.806 . . . . 0.0 111.311 -177.752 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 51.4 pttt -69.36 -35.15 75.56 Favored 'General case' 0 N--CA 1.496 1.825 0 O-C-N 120.593 -1.317 . . . . 0.0 110.265 -178.423 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 24.9 mm-40 -61.43 -40.3 93.94 Favored 'General case' 0 N--CA 1.498 1.925 0 O-C-N 120.87 -1.144 . . . . 0.0 110.403 179.806 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.527 ' N ' ' HH ' ' A' ' 17' ' ' TYR . 9.9 tp -60.07 -45.46 92.8 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.056 -1.027 . . . . 0.0 109.447 -179.161 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 96.1 mt -61.49 -40.01 84.93 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.632 0 O-C-N 121.276 -0.89 . . . . 0.0 111.917 -178.72 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 83.3 m-20 -67.19 -62.76 1.27 Allowed 'General case' 0 N--CA 1.496 1.865 0 O-C-N 120.937 -1.102 . . . . 0.0 113.951 -176.3 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 33.2 p-10 -81.6 -21.52 38.3 Favored 'General case' 0 N--CA 1.502 2.169 0 N-CA-C 114.448 1.277 . . . . 0.0 114.448 -175.887 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 63.3 mm-40 -92.33 -1.64 56.92 Favored 'General case' 0 N--CA 1.506 2.325 0 O-C-N 120.107 -1.621 . . . . 0.0 111.471 -177.916 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.45 ' CD2' ' N ' ' A' ' 40' ' ' LEU . 1.2 mm? -99.86 120.44 39.77 Favored 'General case' 0 N--CA 1.5 2.041 0 O-C-N 120.992 -1.068 . . . . 0.0 108.684 179.101 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' SER . . . . . 0.572 ' HG ' ' H ' ' A' ' 42' ' ' HIS . 18.4 p -77.35 -62.34 1.69 Allowed 'General case' 0 N--CA 1.488 1.444 0 O-C-N 121.47 -0.769 . . . . 0.0 110.262 -179.293 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' HIS . . . . . 0.572 ' H ' ' HG ' ' A' ' 41' ' ' SER . 65.4 m80 -142.13 -5.38 0.99 Allowed 'General case' 0 N--CA 1.498 1.971 0 O-C-N 121.128 -0.982 . . . . 0.0 110.447 -179.356 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 42.8 m-85 -60.07 -41.22 91.92 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 120.925 -1.11 . . . . 0.0 109.743 -179.481 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 22.4 mt -142.3 -85.68 0.16 Allowed 'General case' 0 N--CA 1.5 2.07 0 O-C-N 121.139 -0.976 . . . . 0.0 109.58 -179.564 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . 0.408 ' OE1' ' O ' ' A' ' 45' ' ' GLU . 2.1 tm-20 61.19 20.58 11.11 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.303 -0.873 . . . . 0.0 109.572 -179.704 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 12.8 tp10 -98.47 -138.59 0.3 Allowed 'General case' 0 N--CA 1.499 1.991 0 O-C-N 121.214 -0.929 . . . . 0.0 109.096 179.888 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 65.7 mt 58.67 113.67 0.02 OUTLIER 'Isoleucine or valine' 0 N--CA 1.498 1.937 0 O-C-N 121.694 -0.628 . . . . 0.0 111.144 178.863 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 26.8 mttm -131.48 -34.17 1.4 Allowed 'General case' 0 N--CA 1.499 2.023 0 O-C-N 121.48 -0.762 . . . . 0.0 109.496 178.737 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 30.1 mp0 -86.87 145.53 26.54 Favored 'General case' 0 N--CA 1.498 1.929 0 O-C-N 121.045 -1.034 . . . . 0.0 110.307 -179.706 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 21.9 mp0 -68.98 -31.13 69.75 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.47 -0.769 . . . . 0.0 109.655 -179.905 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 -59.91 -40.09 87.63 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.216 -0.928 . . . . 0.0 109.634 -179.112 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 54.0 t -60.86 -42.73 93.66 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.617 0 O-C-N 121.223 -0.923 . . . . 0.0 109.789 -179.762 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 55.8 t -66.38 -43.13 91.43 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.622 0 O-C-N 121.059 -1.025 . . . . 0.0 109.913 -179.471 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 58.9 t0 -59.99 -43.68 94.99 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.168 -0.957 . . . . 0.0 109.812 -179.115 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 17.6 tptm -68.59 -40.62 80.43 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.2 -0.938 . . . . 0.0 109.803 -179.37 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 54.4 t -69.89 -47.98 66.37 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.706 0 O-C-N 121.209 -0.932 . . . . 0.0 110.18 -179.74 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -60.07 -40.09 88.28 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.037 -1.039 . . . . 0.0 109.805 -179.292 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 86.3 tt0 -62.91 -40.23 96.96 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.197 -0.94 . . . . 0.0 109.912 -179.891 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 94.5 m -69.95 -40.19 75.59 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.345 -0.847 . . . . 0.0 110.757 -179.233 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 60.6 tp -63.94 -39.99 95.42 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.023 -1.048 . . . . 0.0 110.076 -178.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 34.8 m-20 -73.17 99.94 2.95 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 120.858 -1.151 . . . . 0.0 109.507 -179.206 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 49.7 tp10 -64.07 -39.99 95.27 Favored 'General case' 0 C--N 1.302 -1.482 0 O-C-N 121.55 -0.718 . . . . 0.0 109.755 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 45.6 p-10 -86.61 -6.41 58.88 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 121.14 -0.975 . . . . 0.0 109.92 -179.366 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 55.19 44.6 84.05 Favored Glycine 0 N--CA 1.491 2.324 0 N-CA-C 109.896 -1.281 . . . . 0.0 109.896 179.642 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . 0.434 ' OD2' ' O ' ' A' ' 67' ' ' GLU . 50.9 p-10 -72.52 -9.96 59.2 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.004 -1.292 . . . . 0.0 109.156 179.93 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 73.77 5.6 69.72 Favored Glycine 0 N--CA 1.492 2.386 0 N-CA-C 110.41 -1.076 . . . . 0.0 110.41 178.885 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . 0.434 ' O ' ' OD2' ' A' ' 65' ' ' ASP . 12.7 pt-20 -149.58 159.25 44.48 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.043 -1.269 . . . . 0.0 109.615 -179.902 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 79.4 m -105.95 111.23 23.79 Favored 'General case' 0 N--CA 1.496 1.839 0 O-C-N 121.489 -0.757 . . . . 0.0 109.072 179.793 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . 0.494 ' OD1' ' N ' ' A' ' 70' ' ' PHE . 10.3 t70 -89.38 178.38 6.34 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.374 -0.829 . . . . 0.0 109.332 -179.916 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' PHE . . . . . 0.494 ' N ' ' OD1' ' A' ' 69' ' ' ASP . 70.8 t80 -59.96 -46.0 90.83 Favored 'General case' 0 C--N 1.302 -1.475 0 O-C-N 121.203 -0.935 . . . . 0.0 109.433 -179.531 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 60.6 tt0 -61.71 -40.04 93.63 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.034 -1.041 . . . . 0.0 108.683 178.904 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 73.9 mm-40 -59.99 -37.43 79.65 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.476 -0.765 . . . . 0.0 109.915 179.873 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 64.1 t80 -59.68 -44.43 93.63 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.148 -0.97 . . . . 0.0 109.359 -179.087 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 11.6 tpt -59.98 -40.05 87.79 Favored 'General case' 0 C--N 1.302 -1.484 0 N-CA-C 108.522 -0.918 . . . . 0.0 108.522 178.84 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -61.39 -36.34 80.0 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.582 -0.699 . . . . 0.0 110.432 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 26.0 t80 -59.98 -49.85 76.07 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 120.942 -1.099 . . . . 0.0 109.574 -178.784 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 95.7 t -62.59 -40.27 87.71 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.478 0 O-C-N 121.078 -1.014 . . . . 0.0 110.048 -179.601 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 79.8 p -64.15 -39.93 95.07 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.17 -0.956 . . . . 0.0 110.917 -178.923 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 4.2 tpt -60.02 -43.68 95.1 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 120.867 -1.146 . . . . 0.0 109.54 -179.442 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 72.3 t -69.93 -39.99 78.21 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.493 0 O-C-N 121.17 -0.956 . . . . 0.0 109.656 -179.735 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 94.3 m -67.45 -40.06 85.39 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.121 -0.987 . . . . 0.0 110.148 -179.369 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 33.1 p -65.59 -39.99 92.19 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.024 -1.048 . . . . 0.0 109.365 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -62.06 -39.89 93.92 Favored 'General case' 0 N--CA 1.487 1.415 0 O-C-N 121.367 -0.833 . . . . 0.0 109.077 179.433 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 19.1 t -76.89 130.39 37.51 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.364 -0.835 . . . . 0.0 109.497 179.884 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 85' ' ' HIS . . . . . 0.423 ' C ' ' N ' ' A' ' 87' ' ' PHE . 21.1 m170 -113.73 174.69 5.8 Favored 'General case' 0 N--CA 1.498 1.929 0 O-C-N 121.589 -0.694 . . . . 0.0 109.309 -179.788 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . 0.535 ' O ' ' N ' ' A' ' 88' ' ' PHE . 44.4 tp10 -50.0 -20.23 0.9 Allowed 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.201 -0.937 . . . . 0.0 108.489 179.525 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 87' ' ' PHE . . . . . 0.474 ' O ' ' CD1' ' A' ' 87' ' ' PHE . 51.6 t80 -46.87 -12.45 0.02 OUTLIER 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.605 -0.684 . . . . 0.0 109.863 179.355 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . 0.535 ' N ' ' O ' ' A' ' 86' ' ' GLU . 62.2 t80 . . . . . 0 N--CA 1.49 1.542 0 O-C-N 121.307 -0.871 . . . . 0.0 110.408 -179.094 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 26.9 m . . . . . 0 N--CA 1.49 1.547 0 N-CA-C 108.918 -0.771 . . . . 0.0 108.918 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 13.9 pt-20 -67.27 -38.91 85.88 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.334 -0.854 . . . . 0.0 110.493 -179.289 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 28.3 tp -59.99 -44.83 94.26 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 120.908 -1.12 . . . . 0.0 108.892 -179.491 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 39.8 mm-40 -60.22 -40.1 89.0 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.216 -0.928 . . . . 0.0 109.983 -179.362 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 59.9 tttm -62.15 -39.93 94.25 Favored 'General case' 0 C--N 1.302 -1.467 0 O-C-N 121.228 -0.92 . . . . 0.0 109.845 -179.744 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -69.64 -39.97 76.79 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.115 -0.991 . . . . 0.0 109.465 179.911 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 7' ' ' MET . . . . . . . . . . . . . 11.0 ttp -66.86 -40.01 87.75 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.311 -0.868 . . . . 0.0 108.729 -179.747 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 54.6 t -67.55 -40.05 83.56 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.622 0 O-C-N 121.423 -0.798 . . . . 0.0 109.186 179.272 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -57.02 -40.06 75.96 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.307 -0.871 . . . . 0.0 109.904 -178.622 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 93.8 mt -59.99 -42.98 95.41 Favored 'General case' 0 C--N 1.301 -1.506 0 O-C-N 120.904 -1.122 . . . . 0.0 108.467 179.4 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 11' ' ' ILE . . . . . 0.413 HD11 HG22 ' B' ' 11' ' ' ILE . 91.8 mt -73.25 -42.65 57.9 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.589 0 O-C-N 121.44 -0.787 . . . . 0.0 110.043 179.252 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -69.71 -40.66 76.14 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.275 -0.89 . . . . 0.0 110.19 -179.023 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 54.6 t -65.07 -39.98 87.43 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.558 0 O-C-N 121.153 -0.967 . . . . 0.0 109.672 -179.87 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 14' ' ' PHE . . . . . . . . . . . . . 47.5 t80 -60.04 -44.27 94.76 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.242 -0.911 . . . . 0.0 109.615 -178.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 3.8 m-70 -61.47 -49.08 78.22 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.105 -0.997 . . . . 0.0 109.51 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 4.6 tp-100 -70.02 -40.97 74.89 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.375 -0.828 . . . . 0.0 110.071 -179.647 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 9.6 t80 -69.95 -40.09 75.65 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.299 -0.876 . . . . 0.0 109.352 -179.319 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 18' ' ' SER . . . . . 0.541 ' C ' ' H ' ' B' ' 20' ' ' ARG . 60.6 p -71.32 -37.09 71.78 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.113 -0.992 . . . . 0.0 110.054 -179.911 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -68.27 15.39 0.57 Allowed Glycine 0 N--CA 1.493 2.492 0 N-CA-C 110.368 -1.093 . . . . 0.0 110.368 -179.121 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 20' ' ' ARG . . . . . 0.541 ' H ' ' C ' ' B' ' 18' ' ' SER . 1.4 tpt180 -59.97 -40.04 87.73 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 121.119 -1.224 . . . . 0.0 109.061 -179.793 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -135.49 -163.97 1.47 Allowed 'General case' 0 N--CA 1.496 1.871 0 O-C-N 121.465 -0.772 . . . . 0.0 109.844 -179.601 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . -59.54 -28.56 65.26 Favored Glycine 0 N--CA 1.493 2.476 0 N-CA-C 110.269 -1.133 . . . . 0.0 110.269 -179.471 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 83.9 m-20 -70.61 104.03 2.69 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 120.962 -1.316 . . . . 0.0 109.286 -179.827 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 45.2 tttp -104.02 -34.27 8.5 Favored 'General case' 0 N--CA 1.496 1.841 0 O-C-N 121.549 -0.72 . . . . 0.0 110.687 -179.248 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 25' ' ' HIS . . . . . . . . . . . . . 91.2 m-70 -94.71 -1.05 53.77 Favored 'General case' 0 N--CA 1.5 2.053 0 O-C-N 120.902 -1.124 . . . . 0.0 111.56 -178.32 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 59.2 pttt -150.75 162.05 41.46 Favored 'General case' 0 N--CA 1.499 2.02 0 O-C-N 120.568 -1.333 . . . . 0.0 110.737 -179.734 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 81.3 mt -116.24 137.26 52.29 Favored 'General case' 0 N--CA 1.498 1.931 0 N-CA-C 108.954 -0.758 . . . . 0.0 108.954 179.83 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 8.4 mtmp? -95.05 179.77 5.1 Favored 'General case' 0 N--CA 1.496 1.833 0 O-C-N 121.171 -0.956 . . . . 0.0 109.428 179.871 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 36.0 ttmt -60.06 -39.96 87.79 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.415 -0.803 . . . . 0.0 110.69 -179.273 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 30' ' ' SER . . . . . 0.434 ' OG ' ' OE1' ' B' ' 31' ' ' GLU . 96.6 p -59.87 -40.1 87.49 Favored 'General case' 0 N--CA 1.495 1.802 0 O-C-N 120.851 -1.156 . . . . 0.0 110.393 -178.597 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 31' ' ' GLU . . . . . 0.574 ' OE1' ' N ' ' B' ' 31' ' ' GLU . 7.7 mp0 -66.93 -37.08 83.66 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 120.759 -1.213 . . . . 0.0 109.804 179.904 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 36.9 tp -59.99 -47.7 84.73 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.298 -0.876 . . . . 0.0 111.122 -177.749 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 52.6 pttt -69.57 -34.82 74.71 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 120.577 -1.327 . . . . 0.0 110.397 -178.401 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 24.2 mm-40 -61.69 -40.43 94.97 Favored 'General case' 0 N--CA 1.497 1.898 0 O-C-N 120.805 -1.184 . . . . 0.0 110.364 179.777 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 9.6 tp -59.94 -46.09 90.51 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 120.976 -1.078 . . . . 0.0 109.411 -179.231 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 36' ' ' ILE . . . . . 0.429 HG22 HD11 ' B' ' 36' ' ' ILE . 87.4 mt -60.69 -40.07 83.62 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.757 0 O-C-N 121.288 -0.883 . . . . 0.0 111.892 -178.79 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 83.4 m-20 -67.53 -62.84 1.22 Allowed 'General case' 0 N--CA 1.497 1.923 0 N-CA-C 114.064 1.135 . . . . 0.0 114.064 -176.403 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 33.9 p-10 -81.51 -21.89 38.31 Favored 'General case' 0 N--CA 1.502 2.164 0 O-C-N 120.716 -1.24 . . . . 0.0 114.317 -175.79 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 63.9 mm-40 -92.03 -1.71 57.08 Favored 'General case' 0 N--CA 1.506 2.339 0 O-C-N 120.107 -1.621 . . . . 0.0 111.471 -177.909 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 40' ' ' LEU . . . . . 0.445 ' CD2' ' N ' ' B' ' 40' ' ' LEU . 1.2 mm? -99.8 120.41 39.7 Favored 'General case' 0 N--CA 1.501 2.104 0 O-C-N 120.974 -1.079 . . . . 0.0 108.654 179.048 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 17.7 p -77.21 -62.46 1.65 Allowed 'General case' 0 N--CA 1.486 1.361 0 O-C-N 121.438 -0.789 . . . . 0.0 110.297 -179.347 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 42' ' ' HIS . . . . . . . . . . . . . 65.9 m80 -142.15 -5.29 0.99 Allowed 'General case' 0 N--CA 1.497 1.914 0 O-C-N 121.085 -1.01 . . . . 0.0 110.52 -179.378 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 43.5 m-85 -60.0 -41.34 91.89 Favored 'General case' 0 N--CA 1.494 1.733 0 O-C-N 120.877 -1.139 . . . . 0.0 109.764 -179.576 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 25.3 mt -142.07 -86.06 0.17 Allowed 'General case' 0 N--CA 1.502 2.126 0 O-C-N 121.1 -1.0 . . . . 0.0 109.538 -179.389 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 2.1 tm-20 61.45 20.7 11.4 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.388 -0.82 . . . . 0.0 109.46 -179.769 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 12.7 tp10 -98.86 -138.78 0.31 Allowed 'General case' 0 N--CA 1.499 2.015 0 O-C-N 121.2 -0.937 . . . . 0.0 109.036 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 64.4 mt 58.88 113.47 0.02 OUTLIER 'Isoleucine or valine' 0 N--CA 1.498 1.953 0 O-C-N 121.72 -0.613 . . . . 0.0 111.26 178.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 27.0 mttm -131.35 -34.32 1.41 Allowed 'General case' 0 N--CA 1.501 2.115 0 O-C-N 121.538 -0.726 . . . . 0.0 109.428 178.741 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 30.3 mp0 -86.71 145.37 26.7 Favored 'General case' 0 N--CA 1.498 1.951 0 O-C-N 121.063 -1.023 . . . . 0.0 110.146 -179.652 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 21.8 mp0 -68.92 -31.1 69.76 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.474 -0.766 . . . . 0.0 109.674 -179.883 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -60.01 -40.04 87.9 Favored 'General case' 0 N--CA 1.488 1.464 0 O-C-N 121.227 -0.921 . . . . 0.0 109.531 -178.954 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 54.1 t -60.91 -42.6 93.35 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.64 0 O-C-N 121.215 -0.928 . . . . 0.0 109.794 -179.913 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 54.2 t -66.71 -42.87 90.15 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.628 0 O-C-N 121.043 -1.035 . . . . 0.0 109.904 -179.488 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 58.8 t0 -60.13 -43.26 95.82 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.246 -0.909 . . . . 0.0 109.695 -179.133 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 17.7 tptm -69.22 -40.26 78.07 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.083 -1.011 . . . . 0.0 109.722 -179.266 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 54.4 t -70.05 -47.76 66.51 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.622 0 O-C-N 121.148 -0.97 . . . . 0.0 110.238 -179.831 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 57' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -60.07 -40.34 89.15 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.089 -1.007 . . . . 0.0 109.872 -179.293 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 86.3 tt0 -62.58 -40.2 96.13 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.215 -0.928 . . . . 0.0 109.927 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 94.3 m -69.95 -40.24 75.55 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.322 -0.861 . . . . 0.0 110.764 -179.124 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 60.7 tp -63.91 -40.04 95.57 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 121.051 -1.031 . . . . 0.0 110.101 -178.782 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 36.1 m-20 -73.2 99.4 2.83 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 120.971 -1.081 . . . . 0.0 109.618 -179.23 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 49.8 tp10 -63.42 -39.94 95.84 Favored 'General case' 0 C--N 1.304 -1.383 0 O-C-N 121.575 -0.703 . . . . 0.0 109.826 179.895 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 46.0 p-10 -86.74 -6.28 58.87 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.076 -1.015 . . . . 0.0 109.904 -179.322 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 55.8 43.53 87.02 Favored Glycine 0 N--CA 1.49 2.275 0 N-CA-C 109.983 -1.247 . . . . 0.0 109.983 179.483 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 65' ' ' ASP . . . . . 0.438 ' OD2' ' O ' ' B' ' 67' ' ' GLU . 50.4 p-10 -72.01 -9.98 59.13 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 120.972 -1.31 . . . . 0.0 109.271 -179.796 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 73.97 5.1 69.25 Favored Glycine 0 N--CA 1.492 2.408 0 N-CA-C 110.543 -1.023 . . . . 0.0 110.543 178.878 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 67' ' ' GLU . . . . . 0.438 ' O ' ' OD2' ' B' ' 65' ' ' ASP . 12.6 pt-20 -149.26 159.39 44.31 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 120.98 -1.306 . . . . 0.0 109.536 -179.785 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 68' ' ' CYS . . . . . . . . . . . . . 81.7 m -106.12 111.33 23.9 Favored 'General case' 0 N--CA 1.496 1.841 0 O-C-N 121.47 -0.769 . . . . 0.0 109.14 179.783 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 69' ' ' ASP . . . . . 0.472 ' OD1' ' N ' ' B' ' 70' ' ' PHE . 10.3 t70 -89.37 178.52 6.31 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.39 -0.819 . . . . 0.0 109.488 -179.838 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 70' ' ' PHE . . . . . 0.472 ' N ' ' OD1' ' B' ' 69' ' ' ASP . 71.7 t80 -60.06 -45.96 91.14 Favored 'General case' 0 C--N 1.303 -1.456 0 O-C-N 121.288 -0.882 . . . . 0.0 109.352 -179.495 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 61.0 tt0 -61.89 -40.04 94.04 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.015 -1.053 . . . . 0.0 108.633 179.038 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 73.7 mm-40 -59.99 -37.26 79.15 Favored 'General case' 0 N--CA 1.494 1.743 0 O-C-N 121.528 -0.732 . . . . 0.0 109.973 179.891 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 73' ' ' PHE . . . . . . . . . . . . . 64.0 t80 -59.9 -44.38 94.3 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.192 -0.943 . . . . 0.0 109.262 -179.091 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 74' ' ' MET . . . . . . . . . . . . . 11.7 tpt -60.0 -40.09 88.01 Favored 'General case' 0 C--N 1.302 -1.484 0 O-C-N 121.154 -0.966 . . . . 0.0 108.468 178.826 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -61.33 -36.5 80.32 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.561 -0.712 . . . . 0.0 110.43 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 28.1 t80 -59.91 -49.82 76.19 Favored 'General case' 0 N--CA 1.495 1.796 0 O-C-N 121.056 -1.027 . . . . 0.0 109.535 -178.666 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 77' ' ' VAL . . . . . . . . . . . . . 96.1 t -62.51 -40.15 87.1 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.508 0 O-C-N 121.245 -0.909 . . . . 0.0 110.126 -179.764 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 78' ' ' SER . . . . . . . . . . . . . 78.7 p -64.27 -39.99 95.06 Favored 'General case' 0 N--CA 1.494 1.767 0 O-C-N 121.295 -0.878 . . . . 0.0 110.903 -178.925 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 79' ' ' MET . . . . . . . . . . . . . 4.3 tpt -59.97 -43.92 94.78 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 120.981 -1.075 . . . . 0.0 109.471 -179.39 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 71.8 t -69.78 -39.98 78.53 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.499 0 O-C-N 121.28 -0.888 . . . . 0.0 109.645 -179.698 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 94.3 m -67.49 -40.41 85.24 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.146 -0.971 . . . . 0.0 110.215 -179.451 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 33.9 p -65.25 -39.9 93.27 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.024 -1.047 . . . . 0.0 109.244 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -62.17 -39.98 94.47 Favored 'General case' 0 N--CA 1.488 1.448 0 O-C-N 121.315 -0.866 . . . . 0.0 109.128 179.64 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 84' ' ' CYS . . . . . . . . . . . . . 19.5 t -76.75 130.69 38.06 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.349 -0.844 . . . . 0.0 109.411 179.84 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 85' ' ' HIS . . . . . 0.411 ' C ' ' N ' ' B' ' 87' ' ' PHE . 21.6 m170 -114.09 174.74 5.79 Favored 'General case' 0 N--CA 1.498 1.974 0 O-C-N 121.62 -0.675 . . . . 0.0 109.279 -179.744 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 86' ' ' GLU . . . . . 0.533 ' O ' ' N ' ' B' ' 88' ' ' PHE . 44.3 tp10 -50.02 -20.13 0.88 Allowed 'General case' 0 N--CA 1.492 1.658 0 N-CA-C 108.489 -0.93 . . . . 0.0 108.489 179.538 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 87' ' ' PHE . . . . . 0.479 ' CD1' ' O ' ' B' ' 87' ' ' PHE . 51.8 t80 -46.95 -12.24 0.02 OUTLIER 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.545 -0.722 . . . . 0.0 109.801 179.254 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 88' ' ' PHE . . . . . 0.533 ' N ' ' O ' ' B' ' 86' ' ' GLU . 62.8 t80 . . . . . 0 N--CA 1.489 1.516 0 O-C-N 121.159 -0.963 . . . . 0.0 110.445 -179.189 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 8.9 m . . . . . 0 N--CA 1.493 1.703 0 N-CA-C 109.42 -0.585 . . . . 0.0 109.42 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -59.99 -34.48 73.38 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.218 -0.926 . . . . 0.0 109.858 -179.518 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 7.4 tt -59.87 -44.53 94.12 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.176 -0.952 . . . . 0.0 109.622 -178.454 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 87.5 tt0 -61.16 -42.47 98.62 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.003 -1.061 . . . . 0.0 109.7 179.822 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 77.3 mttt -62.09 -40.0 94.38 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.184 -0.947 . . . . 0.0 109.861 -179.814 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -59.99 -40.0 87.63 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.277 -0.889 . . . . 0.0 109.724 -179.349 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 92.7 mtp -60.08 -40.34 89.2 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 120.986 -1.071 . . . . 0.0 109.201 179.757 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 55.3 t -69.96 -40.03 78.18 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.482 0 O-C-N 121.238 -0.913 . . . . 0.0 109.475 179.334 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -62.43 -40.31 96.15 Favored 'General case' 0 N--CA 1.494 1.773 0 O-C-N 121.215 -0.928 . . . . 0.0 110.672 -179.357 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 60.6 tp -60.09 -43.48 95.51 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.138 -0.976 . . . . 0.0 110.563 -179.261 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 88.2 mt -65.76 -40.08 86.7 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.658 0 O-C-N 121.051 -1.03 . . . . 0.0 110.773 -179.038 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 96.0 m-20 -62.64 -41.93 99.32 Favored 'General case' 0 N--CA 1.497 1.913 0 O-C-N 120.816 -1.178 . . . . 0.0 111.083 -179.08 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 54.5 t -63.4 -40.03 87.53 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.766 0 O-C-N 121.066 -1.021 . . . . 0.0 109.859 -179.506 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 62.0 t80 -60.03 -42.6 94.76 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.328 -0.858 . . . . 0.0 110.541 -178.79 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 51.7 t60 -64.57 -39.97 94.72 Favored 'General case' 0 N--CA 1.495 1.812 0 O-C-N 121.278 -0.889 . . . . 0.0 111.024 -178.868 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 66.2 mm-40 -59.98 -40.05 87.78 Favored 'General case' 0 N--CA 1.498 1.962 0 O-C-N 120.766 -1.209 . . . . 0.0 111.36 -178.669 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 7.3 m-85 -68.53 -35.76 77.89 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 120.792 -1.192 . . . . 0.0 109.857 -179.468 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' SER . . . . . 0.522 ' HG ' ' H ' ' A' ' 25' ' ' HIS . 5.1 t -60.08 -38.77 83.87 Favored 'General case' 0 C--N 1.299 -1.626 0 O-C-N 121.034 -1.042 . . . . 0.0 110.097 -179.341 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -74.78 7.21 21.64 Favored Glycine 0 N--CA 1.493 2.484 0 C-N-CA 120.173 -1.013 . . . . 0.0 111.326 -178.87 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 8.6 mmm180 -59.96 -50.06 75.23 Favored 'General case' 0 N--CA 1.498 1.949 0 O-C-N 120.557 -1.555 . . . . 0.0 109.537 -179.889 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 74.7 mm-40 -103.28 9.41 38.07 Favored 'General case' 0 N--CA 1.496 1.831 0 O-C-N 121.264 -0.898 . . . . 0.0 109.283 -179.742 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 86.46 1.62 85.71 Favored Glycine 0 N--CA 1.491 2.303 0 N-CA-C 108.873 -1.691 . . . . 0.0 108.873 -179.601 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . 0.435 ' O ' ' OG ' ' A' ' 18' ' ' SER . 89.4 m-20 -85.6 82.79 8.1 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.326 -1.102 . . . . 0.0 108.809 179.886 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 9.4 mtmp? -86.48 90.87 8.36 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.325 -0.859 . . . . 0.0 109.09 -179.89 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' HIS . . . . . 0.522 ' H ' ' HG ' ' A' ' 18' ' ' SER . 3.2 t-160 -173.22 -60.74 0.02 OUTLIER 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.46 -0.775 . . . . 0.0 109.131 -179.897 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 48.1 pttt -148.69 160.13 43.46 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.498 -0.751 . . . . 0.0 109.324 -179.71 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.421 ' N ' ' CD1' ' A' ' 27' ' ' LEU . 8.2 mp -98.62 136.18 39.07 Favored 'General case' 0 N--CA 1.497 1.916 0 O-C-N 121.207 -0.933 . . . . 0.0 109.716 -179.148 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 16.6 pttp -94.86 169.14 10.35 Favored 'General case' 0 N--CA 1.495 1.799 0 O-C-N 121.492 -0.755 . . . . 0.0 109.278 179.549 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 23.5 pttm -60.09 -35.14 74.54 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.279 -0.888 . . . . 0.0 110.759 -178.804 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 18.7 t -60.05 -42.09 93.74 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 120.739 -1.226 . . . . 0.0 108.629 -179.628 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 -69.99 -32.52 70.76 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.237 -0.914 . . . . 0.0 109.149 178.523 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 12.2 tp -59.98 -39.96 87.48 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.326 -0.859 . . . . 0.0 109.329 -179.434 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 21.0 tptm -58.56 -46.0 87.8 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 120.927 -1.108 . . . . 0.0 109.381 179.88 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 53.6 tp10 -66.56 -44.19 82.98 Favored 'General case' 0 C--N 1.302 -1.458 0 O-C-N 121.039 -1.038 . . . . 0.0 109.761 179.882 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 4.8 tt -60.11 -50.03 75.32 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.305 -0.872 . . . . 0.0 111.043 -179.164 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 93.3 mt -60.69 -45.91 96.76 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.654 0 O-C-N 121.011 -1.056 . . . . 0.0 109.943 -179.266 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 21.1 t-20 -67.3 -44.2 79.82 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 120.99 -1.069 . . . . 0.0 110.048 -179.848 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -67.82 -39.99 83.88 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.409 -0.807 . . . . 0.0 110.977 -178.842 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 46.6 tp10 -80.11 -71.34 0.46 Allowed 'General case' 0 N--CA 1.494 1.731 0 O-C-N 120.975 -1.078 . . . . 0.0 110.626 -178.871 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 18.0 mt -100.86 127.16 47.43 Favored 'General case' 0 N--CA 1.496 1.864 0 O-C-N 121.416 -0.802 . . . . 0.0 109.839 -178.938 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.3 t -139.95 -46.76 0.44 Allowed 'General case' 0 N--CA 1.493 1.687 0 N-CA-C 108.285 -1.005 . . . . 0.0 108.285 178.835 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' HIS . . . . . 0.515 ' HD1' ' H ' ' A' ' 43' ' ' PHE . 0.4 OUTLIER -60.84 -41.87 96.65 Favored 'General case' 0 N--CA 1.488 1.458 0 O-C-N 121.476 -0.765 . . . . 0.0 109.455 179.767 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . 0.515 ' H ' ' HD1' ' A' ' 42' ' ' HIS . 64.4 m-85 -70.0 -39.95 75.58 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 120.971 -1.081 . . . . 0.0 109.27 179.778 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 37.6 mt -128.95 125.77 38.19 Favored 'General case' 0 N--CA 1.5 2.066 0 O-C-N 121.551 -0.718 . . . . 0.0 109.11 179.815 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 15.6 pt-20 -146.92 15.06 1.19 Allowed 'General case' 0 N--CA 1.494 1.766 0 O-C-N 121.07 -1.019 . . . . 0.0 109.347 179.538 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 86.9 tt0 -87.42 -11.95 47.63 Favored 'General case' 0 N--CA 1.494 1.733 0 O-C-N 121.347 -0.845 . . . . 0.0 109.986 -179.59 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 88.4 mt -74.06 128.44 36.38 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.635 0 O-C-N 120.846 -1.159 . . . . 0.0 109.727 -179.772 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 86.2 tttt -150.16 -45.37 0.13 Allowed 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.318 -0.864 . . . . 0.0 109.455 179.528 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 42.2 mt-10 -85.37 147.72 26.37 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.303 -0.873 . . . . 0.0 110.084 -179.348 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . 0.613 ' H ' ' NE2' ' A' ' 50' ' ' GLN . 0.0 OUTLIER -69.64 -27.54 65.13 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.51 -0.744 . . . . 0.0 110.001 -179.797 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 36.7 tt0 -59.97 -40.08 87.85 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.25 -0.906 . . . . 0.0 109.942 -179.322 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 54.4 t -61.61 -43.2 96.65 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.67 0 O-C-N 121.161 -0.962 . . . . 0.0 109.899 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 53.2 t -60.14 -39.99 82.16 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.617 0 O-C-N 121.045 -1.034 . . . . 0.0 109.901 -179.424 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 8.2 t70 -60.0 -44.85 94.27 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.132 -0.98 . . . . 0.0 109.817 -179.501 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 36.5 ttpt -60.06 -47.94 83.77 Favored 'General case' 0 C--N 1.301 -1.54 0 O-C-N 121.179 -0.951 . . . . 0.0 109.571 179.686 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 53.4 t -69.94 -40.77 79.1 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.477 0 O-C-N 121.185 -0.947 . . . . 0.0 109.292 -179.833 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 15.9 tpt -60.2 -46.71 88.79 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.282 -0.886 . . . . 0.0 109.924 -179.632 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 43.2 tt0 -60.02 -40.11 88.18 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.251 -0.905 . . . . 0.0 109.915 -179.172 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 88.9 m -62.95 -40.32 97.33 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.293 -0.88 . . . . 0.0 109.717 -179.373 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 6.3 tp -81.43 -14.39 57.14 Favored 'General case' 0 N--CA 1.494 1.766 0 O-C-N 121.222 -0.924 . . . . 0.0 110.057 -179.635 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . 0.506 ' OD1' ' N ' ' A' ' 64' ' ' GLY . 58.0 t0 -79.01 97.45 6.09 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 120.886 -1.134 . . . . 0.0 109.726 -179.385 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 86.9 tt0 -82.3 -29.35 31.19 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.345 -0.847 . . . . 0.0 109.471 179.652 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 69.2 m-20 -87.6 -9.23 54.89 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.287 -0.883 . . . . 0.0 109.817 -179.243 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . 0.506 ' N ' ' OD1' ' A' ' 61' ' ' ASP . . . 61.69 16.2 50.31 Favored Glycine 0 N--CA 1.489 2.215 0 N-CA-C 109.337 -1.505 . . . . 0.0 109.337 -179.95 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 37.9 p-10 -90.44 -4.22 57.14 Favored 'General case' 0 N--CA 1.494 1.773 0 O-C-N 121.163 -1.198 . . . . 0.0 110.024 -179.79 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 69.94 30.78 69.92 Favored Glycine 0 N--CA 1.493 2.437 0 N-CA-C 110.358 -1.097 . . . . 0.0 110.358 179.081 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -134.94 147.75 49.87 Favored 'General case' 0 N--CA 1.5 2.048 0 O-C-N 121.28 -1.129 . . . . 0.0 109.324 -179.761 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 8.3 t -104.33 114.92 29.47 Favored 'General case' 0 N--CA 1.5 2.047 0 O-C-N 121.454 -0.779 . . . . 0.0 109.485 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 89.5 m-20 -89.13 167.28 13.25 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.469 -0.769 . . . . 0.0 109.542 179.78 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 55.9 t80 -60.01 -45.76 91.69 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.371 -0.83 . . . . 0.0 109.222 179.732 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 7.8 tt0 -60.12 -46.23 90.32 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.219 -0.926 . . . . 0.0 108.647 179.176 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -62.13 -39.68 93.39 Favored 'General case' 0 N--CA 1.489 1.523 0 CA-C-O 121.506 0.67 . . . . 0.0 109.496 -179.942 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 64.2 t80 -59.99 -40.73 90.15 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.412 -0.805 . . . . 0.0 109.745 -179.607 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 20.6 ttm -59.99 -38.3 82.17 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.158 -0.964 . . . . 0.0 109.657 179.329 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -58.87 -39.94 82.87 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.276 -0.89 . . . . 0.0 109.896 -178.909 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 67.6 t80 -59.97 -48.39 81.88 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 120.993 -1.067 . . . . 0.0 108.895 179.49 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 98.8 t -60.9 -38.64 79.69 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.539 0 O-C-N 121.686 -0.634 . . . . 0.0 109.594 179.47 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 23.3 t -58.79 -40.01 82.75 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.319 -0.863 . . . . 0.0 110.43 -178.812 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 52.1 mtt -60.01 -40.0 87.78 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 120.918 -1.114 . . . . 0.0 109.982 -179.543 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 94.6 t -68.48 -40.05 81.56 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.564 0 O-C-N 121.043 -1.036 . . . . 0.0 109.857 -179.753 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 81' ' ' THR . . . . . 0.509 ' O ' ' SG ' ' A' ' 84' ' ' CYS . 66.9 p -68.0 -40.01 83.12 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.083 -1.011 . . . . 0.0 110.605 -179.438 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 28.4 p -60.07 -39.92 87.73 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 120.836 -1.165 . . . . 0.0 109.504 -179.774 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -61.2 -29.14 69.63 Favored 'General case' 0 C--N 1.302 -1.484 0 O-C-N 121.303 -0.873 . . . . 0.0 109.79 -179.866 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 84' ' ' CYS . . . . . 0.509 ' SG ' ' O ' ' A' ' 81' ' ' THR . 1.5 p -66.41 138.25 57.44 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.187 -0.946 . . . . 0.0 110.084 -179.271 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 85' ' ' HIS . . . . . 0.529 ' O ' ' ND1' ' A' ' 85' ' ' HIS . 42.1 t-80 -108.15 25.3 11.78 Favored 'General case' 0 N--CA 1.501 2.088 0 O-C-N 121.514 -0.742 . . . . 0.0 109.29 179.711 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . 0.456 ' CB ' ' O ' ' A' ' 85' ' ' HIS . 7.0 tm-20 77.16 -28.17 0.17 Allowed 'General case' 0 N--CA 1.498 1.929 0 O-C-N 121.494 -0.754 . . . . 0.0 109.299 -179.871 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 87' ' ' PHE . . . . . 0.52 ' CD2' ' O ' ' A' ' 87' ' ' PHE . 61.7 t80 -87.1 -8.89 56.58 Favored 'General case' 0 N--CA 1.489 1.511 0 N-CA-C 108.451 -0.944 . . . . 0.0 108.451 178.954 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 38.6 t80 . . . . . 0 N--CA 1.488 1.444 0 N-CA-C 108.78 -0.822 . . . . 0.0 108.78 -179.86 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 14.4 m . . . . . 0 N--CA 1.493 1.699 0 N-CA-C 109.416 -0.587 . . . . 0.0 109.416 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 95.0 mt-10 -59.97 -35.03 74.13 Favored 'General case' 0 N--CA 1.494 1.748 0 O-C-N 121.195 -0.941 . . . . 0.0 109.876 -179.914 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 7.6 tt -59.62 -44.48 93.44 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.279 -0.888 . . . . 0.0 109.641 -178.509 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 85.7 tt0 -61.02 -42.71 98.98 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.108 -0.995 . . . . 0.0 109.722 179.762 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 79.7 mttt -62.11 -40.03 94.51 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.262 -0.898 . . . . 0.0 109.813 -179.711 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -59.91 -40.05 87.5 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.3 -0.875 . . . . 0.0 109.889 -179.447 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 7' ' ' MET . . . . . . . . . . . . . 93.3 mtp -60.04 -40.77 90.54 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 120.998 -1.064 . . . . 0.0 109.096 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 54.4 t -69.6 -40.08 79.08 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.509 0 O-C-N 121.239 -0.913 . . . . 0.0 109.388 179.616 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -62.52 -40.45 96.79 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.274 -0.891 . . . . 0.0 110.79 -179.293 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 60.5 tp -60.04 -42.86 95.34 Favored 'General case' 0 N--CA 1.494 1.771 0 O-C-N 121.097 -1.002 . . . . 0.0 110.47 -179.366 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 11' ' ' ILE . . . . . 0.406 HG22 HD11 ' B' ' 11' ' ' ILE . 96.6 mt -66.1 -40.28 86.73 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.725 0 O-C-N 121.076 -1.015 . . . . 0.0 110.836 -178.931 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 96.3 m-20 -62.64 -41.99 99.34 Favored 'General case' 0 N--CA 1.496 1.826 0 O-C-N 121.006 -1.059 . . . . 0.0 110.961 -179.237 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 54.5 t -63.37 -40.01 87.42 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.749 0 O-C-N 121.095 -1.003 . . . . 0.0 110.053 -179.616 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 14' ' ' PHE . . . . . . . . . . . . . 62.3 t80 -60.02 -41.9 93.18 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.278 -0.889 . . . . 0.0 110.583 -179.058 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 48.3 t60 -65.09 -39.93 93.88 Favored 'General case' 0 N--CA 1.496 1.85 0 O-C-N 121.188 -0.945 . . . . 0.0 111.16 -178.946 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 67.9 mm-40 -60.03 -40.09 88.16 Favored 'General case' 0 N--CA 1.499 2.023 0 O-C-N 120.906 -1.121 . . . . 0.0 111.274 -178.538 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 7.9 m-85 -68.45 -35.94 78.31 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 120.844 -1.16 . . . . 0.0 109.982 -179.44 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 18' ' ' SER . . . . . 0.421 ' OG ' ' O ' ' B' ' 23' ' ' ASP . 5.1 t -60.03 -38.16 81.92 Favored 'General case' 0 C--N 1.299 -1.602 0 O-C-N 121.052 -1.03 . . . . 0.0 110.022 -179.324 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -75.02 6.78 25.64 Favored Glycine 0 N--CA 1.494 2.566 0 C-N-CA 120.249 -0.977 . . . . 0.0 111.279 -178.852 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 8.9 mmm180 -60.02 -50.06 75.21 Favored 'General case' 0 N--CA 1.498 1.959 0 O-C-N 120.542 -1.563 . . . . 0.0 109.65 -179.835 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 75.0 mm-40 -103.19 9.41 38.26 Favored 'General case' 0 N--CA 1.497 1.881 0 O-C-N 121.372 -0.83 . . . . 0.0 109.322 -179.849 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . 86.76 0.83 85.72 Favored Glycine 0 N--CA 1.491 2.306 0 N-CA-C 108.872 -1.691 . . . . 0.0 108.872 -179.449 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 23' ' ' ASP . . . . . 0.421 ' O ' ' OG ' ' B' ' 18' ' ' SER . 91.9 m-20 -84.62 82.46 8.41 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.435 -1.038 . . . . 0.0 108.894 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 9.6 mtmp? -86.65 91.0 8.45 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.224 -0.922 . . . . 0.0 109.148 -179.857 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 25' ' ' HIS . . . . . . . . . . . . . 3.2 t-160 -173.31 -60.46 0.02 OUTLIER 'General case' 0 N--CA 1.488 1.47 0 O-C-N 121.397 -0.815 . . . . 0.0 109.093 -179.939 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 45.1 pttt -148.82 160.09 43.55 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.45 -0.781 . . . . 0.0 109.248 -179.636 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 27' ' ' LEU . . . . . 0.427 ' N ' ' CD1' ' B' ' 27' ' ' LEU . 8.4 mp -98.67 135.72 39.77 Favored 'General case' 0 N--CA 1.499 2.013 0 O-C-N 121.266 -0.896 . . . . 0.0 109.637 -179.143 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 16.4 pttp -94.49 169.4 10.23 Favored 'General case' 0 N--CA 1.496 1.852 0 O-C-N 121.374 -0.829 . . . . 0.0 109.325 179.548 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 24.0 pttm -60.03 -35.4 75.01 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.327 -0.858 . . . . 0.0 110.809 -178.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 16.0 t -59.95 -41.97 93.03 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 120.772 -1.205 . . . . 0.0 108.737 -179.624 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -69.9 -32.6 71.01 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.182 -0.949 . . . . 0.0 109.184 178.421 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 14.1 tp -59.94 -40.04 87.59 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.355 -0.841 . . . . 0.0 109.312 -179.388 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 21.3 tptm -58.59 -46.39 87.07 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 120.909 -1.12 . . . . 0.0 109.278 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 53.2 tp10 -66.09 -44.42 84.47 Favored 'General case' 0 C--N 1.3 -1.561 0 O-C-N 121.04 -1.038 . . . . 0.0 109.754 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 5.3 tt -59.97 -49.97 75.6 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.302 -0.874 . . . . 0.0 111.142 -179.015 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 95.6 mt -61.17 -45.2 99.04 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.654 0 O-C-N 120.943 -1.098 . . . . 0.0 109.785 -179.222 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 21.0 t-20 -67.83 -43.66 79.06 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.066 -1.022 . . . . 0.0 109.978 -179.882 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 1.1 t30 -68.36 -40.03 81.61 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.481 -0.762 . . . . 0.0 110.968 -178.799 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 47.1 tp10 -80.0 -71.24 0.46 Allowed 'General case' 0 N--CA 1.493 1.675 0 O-C-N 120.933 -1.104 . . . . 0.0 110.597 -178.808 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 19.5 mt -100.95 126.95 47.63 Favored 'General case' 0 N--CA 1.495 1.801 0 O-C-N 121.423 -0.798 . . . . 0.0 109.96 -178.938 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 1.3 t -139.95 -46.64 0.44 Allowed 'General case' 0 N--CA 1.494 1.734 0 N-CA-C 108.445 -0.946 . . . . 0.0 108.445 178.802 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 42' ' ' HIS . . . . . 0.526 ' HD1' ' H ' ' B' ' 43' ' ' PHE . 0.4 OUTLIER -61.04 -41.83 97.32 Favored 'General case' 0 N--CA 1.487 1.422 0 O-C-N 121.553 -0.717 . . . . 0.0 109.528 179.732 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' B' B ' 43' ' ' PHE . . . . . 0.526 ' H ' ' HD1' ' B' ' 42' ' ' HIS . 65.1 m-85 -69.95 -40.03 75.69 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 120.992 -1.068 . . . . 0.0 109.261 179.652 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 50.4 mt -128.53 125.95 39.4 Favored 'General case' 0 N--CA 1.499 1.991 0 N-CA-C 109.117 -0.697 . . . . 0.0 109.117 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 15.2 pt-20 -147.49 15.35 1.12 Allowed 'General case' 0 N--CA 1.494 1.757 0 O-C-N 121.067 -1.021 . . . . 0.0 109.297 179.581 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 86.8 tt0 -87.7 -12.19 46.08 Favored 'General case' 0 N--CA 1.494 1.745 0 O-C-N 121.375 -0.828 . . . . 0.0 110.052 -179.625 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 91.9 mt -73.86 128.33 36.21 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.651 0 O-C-N 120.936 -1.103 . . . . 0.0 109.649 -179.722 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 86.3 tttt -149.55 -45.76 0.14 Allowed 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.296 -0.877 . . . . 0.0 109.457 179.419 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 41.8 mt-10 -85.28 148.12 26.21 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.188 -0.945 . . . . 0.0 110.214 -179.271 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 50' ' ' GLN . . . . . 0.623 ' NE2' ' H ' ' B' ' 50' ' ' GLN . 0.0 OUTLIER -69.69 -27.58 65.12 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.628 -0.67 . . . . 0.0 109.947 -179.781 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 37.8 tt0 -60.09 -40.01 88.12 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.347 -0.846 . . . . 0.0 109.896 -179.151 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 54.1 t -61.91 -43.06 96.94 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.552 0 O-C-N 121.126 -0.984 . . . . 0.0 109.836 -179.815 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 53.7 t -60.02 -40.0 81.92 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.624 0 O-C-N 121.142 -0.974 . . . . 0.0 109.832 -179.486 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 8.9 t70 -59.98 -45.15 93.62 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.111 -0.993 . . . . 0.0 109.98 -179.538 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 36.5 ttpt -60.1 -47.77 84.49 Favored 'General case' 0 C--N 1.302 -1.484 0 O-C-N 121.166 -0.959 . . . . 0.0 109.541 179.772 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 53.0 t -69.82 -41.03 79.66 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.492 0 O-C-N 121.252 -0.905 . . . . 0.0 109.357 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 57' ' ' MET . . . . . . . . . . . . . 15.9 tpt -60.35 -46.41 90.04 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.284 -0.885 . . . . 0.0 109.896 -179.635 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 42.2 tt0 -60.05 -40.08 88.2 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.292 -0.88 . . . . 0.0 109.982 -179.264 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 92.1 m -63.26 -40.12 96.51 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.229 -0.92 . . . . 0.0 109.828 -179.283 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 5.9 tp -81.31 -14.67 57.08 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.277 -0.89 . . . . 0.0 110.005 -179.691 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 61' ' ' ASP . . . . . 0.513 ' OD1' ' N ' ' B' ' 64' ' ' GLY . 60.6 t0 -79.14 98.01 6.4 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 120.794 -1.191 . . . . 0.0 109.66 -179.45 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 86.8 tt0 -83.07 -28.67 29.39 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.41 -0.806 . . . . 0.0 109.419 179.803 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 69.5 m-20 -88.12 -8.9 54.76 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.255 -0.903 . . . . 0.0 109.73 -179.405 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 64' ' ' GLY . . . . . 0.513 ' N ' ' OD1' ' B' ' 61' ' ' ASP . . . 61.33 16.46 49.49 Favored Glycine 0 N--CA 1.489 2.217 0 N-CA-C 109.364 -1.494 . . . . 0.0 109.364 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 37.8 p-10 -90.56 -3.99 57.19 Favored 'General case' 0 N--CA 1.494 1.753 0 O-C-N 121.261 -1.14 . . . . 0.0 109.891 -179.785 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 69.99 30.34 70.12 Favored Glycine 0 N--CA 1.493 2.481 0 C-N-CA 119.978 -1.106 . . . . 0.0 110.395 179.079 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 98.1 mt-10 -134.78 148.1 50.14 Favored 'General case' 0 N--CA 1.498 1.929 0 O-C-N 121.167 -1.196 . . . . 0.0 109.469 -179.786 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 68' ' ' CYS . . . . . . . . . . . . . 8.0 t -104.47 114.74 29.17 Favored 'General case' 0 N--CA 1.499 2.0 0 O-C-N 121.383 -0.823 . . . . 0.0 109.57 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 89.6 m-20 -89.15 167.63 12.96 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.339 -0.851 . . . . 0.0 109.516 179.873 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 58.1 t80 -59.99 -46.03 90.8 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.196 -0.94 . . . . 0.0 109.186 179.637 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 8.0 tt0 -60.12 -46.03 91.0 Favored 'General case' 0 N--CA 1.49 1.559 0 N-CA-C 108.497 -0.927 . . . . 0.0 108.497 179.375 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 99.2 mt-10 -62.55 -39.39 93.46 Favored 'General case' 0 C--N 1.303 -1.429 0 CA-C-O 121.431 0.634 . . . . 0.0 109.557 -179.898 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 73' ' ' PHE . . . . . . . . . . . . . 58.6 t80 -60.03 -40.81 90.64 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.425 -0.797 . . . . 0.0 109.736 -179.541 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 74' ' ' MET . . . . . . . . . . . . . 21.6 ttm -60.07 -38.19 82.13 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.259 -0.901 . . . . 0.0 109.702 179.474 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -58.83 -40.04 83.02 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.262 -0.899 . . . . 0.0 109.879 -179.063 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 66.2 t80 -60.02 -48.12 83.03 Favored 'General case' 0 C--N 1.302 -1.46 0 O-C-N 120.935 -1.103 . . . . 0.0 108.841 179.563 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 77' ' ' VAL . . . . . . . . . . . . . 84.2 t -61.01 -38.68 80.04 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.528 0 O-C-N 121.711 -0.618 . . . . 0.0 109.568 179.344 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 78' ' ' SER . . . . . . . . . . . . . 18.5 t -58.65 -39.94 82.04 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.203 -0.936 . . . . 0.0 110.4 -178.832 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 79' ' ' MET . . . . . . . . . . . . . 53.6 mtt -60.14 -39.91 87.97 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 120.951 -1.093 . . . . 0.0 110.017 -179.542 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 97.1 t -68.49 -40.05 81.55 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.517 0 O-C-N 120.924 -1.11 . . . . 0.0 109.881 -179.813 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 81' ' ' THR . . . . . 0.514 ' O ' ' SG ' ' B' ' 84' ' ' CYS . 61.5 p -68.22 -39.94 82.23 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 121.174 -0.954 . . . . 0.0 110.6 -179.352 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 30.0 p -60.1 -39.54 86.51 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 120.73 -1.231 . . . . 0.0 109.408 -179.769 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -61.43 -29.04 69.69 Favored 'General case' 0 C--N 1.299 -1.593 0 O-C-N 121.487 -0.758 . . . . 0.0 109.818 -179.839 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 84' ' ' CYS . . . . . 0.514 ' SG ' ' O ' ' B' ' 81' ' ' THR . 1.8 p -66.67 138.89 57.75 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.119 -0.988 . . . . 0.0 110.127 -179.308 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 85' ' ' HIS . . . . . 0.516 ' O ' ' ND1' ' B' ' 85' ' ' HIS . 39.8 t-80 -108.27 25.22 11.9 Favored 'General case' 0 N--CA 1.499 1.998 0 O-C-N 121.588 -0.695 . . . . 0.0 109.236 179.663 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 86' ' ' GLU . . . . . 0.459 ' CB ' ' O ' ' B' ' 85' ' ' HIS . 7.0 tm-20 76.98 -27.91 0.18 Allowed 'General case' 0 N--CA 1.496 1.852 0 O-C-N 121.494 -0.754 . . . . 0.0 109.276 -179.646 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 87' ' ' PHE . . . . . 0.511 ' O ' ' CD2' ' B' ' 87' ' ' PHE . 61.2 t80 -87.4 -8.97 55.96 Favored 'General case' 0 N--CA 1.49 1.569 0 N-CA-C 108.409 -0.959 . . . . 0.0 108.409 179.098 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 38.7 t80 . . . . . 0 N--CA 1.487 1.42 0 N-CA-C 109.036 -0.728 . . . . 0.0 109.036 -179.869 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.491 1.586 0 N-CA-C 109.397 -0.594 . . . . 0.0 109.397 . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 29.2 t -69.95 132.33 45.79 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.035 -1.04 . . . . 0.0 109.759 179.742 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 13.6 tm-20 -60.03 -36.15 76.65 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.604 -0.685 . . . . 0.0 109.932 -179.72 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . 0.501 ' CD2' ' N ' ' A' ' 3' ' ' LEU . 3.2 mm? -59.11 -39.07 81.12 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.319 -0.863 . . . . 0.0 109.799 -179.02 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 70.8 mm-40 -60.0 -40.41 89.13 Favored 'General case' 0 C--N 1.301 -1.543 0 O-C-N 120.799 -1.188 . . . . 0.0 109.359 -179.739 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 38.6 ttpt -69.97 -40.03 75.62 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 120.987 -1.07 . . . . 0.0 109.984 179.37 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -69.59 -40.49 76.67 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.3 -0.875 . . . . 0.0 110.097 -179.14 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 6.7 mmt -61.47 -40.44 94.55 Favored 'General case' 0 N--CA 1.486 1.363 0 O-C-N 121.044 -1.035 . . . . 0.0 108.766 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 79.3 t -69.92 -41.98 79.64 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.442 0 O-C-N 121.423 -0.798 . . . . 0.0 109.536 179.44 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -66.42 -42.42 87.79 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.309 -0.869 . . . . 0.0 110.33 -179.333 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 63.4 tp -60.0 -50.04 75.31 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.043 -1.036 . . . . 0.0 109.256 -179.935 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 93.4 mt -70.3 -40.84 78.35 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.593 0 O-C-N 121.268 -0.895 . . . . 0.0 110.551 179.865 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 62.2 t0 -60.05 -47.57 85.32 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.347 -0.845 . . . . 0.0 110.73 -178.584 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 54.3 t -60.2 -42.52 90.57 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.523 0 O-C-N 121.091 -1.006 . . . . 0.0 110.049 -178.812 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 64.9 t80 -59.95 -44.86 94.14 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.141 -0.974 . . . . 0.0 110.665 -179.545 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 11.0 t-80 -63.85 -52.12 61.54 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.022 -1.049 . . . . 0.0 110.544 -178.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 28.5 mt-30 -69.96 -40.05 75.64 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.379 -0.825 . . . . 0.0 111.301 -178.859 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 24.0 t80 -69.92 -43.44 71.65 Favored 'General case' 0 N--CA 1.495 1.793 0 O-C-N 121.007 -1.058 . . . . 0.0 110.586 -178.468 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 54.3 p -75.02 -19.92 59.84 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.274 -0.891 . . . . 0.0 110.235 -179.415 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -77.29 -2.3 78.56 Favored Glycine 0 N--CA 1.493 2.468 0 C-N-CA 120.111 -1.043 . . . . 0.0 110.841 -178.752 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . 0.543 ' NH2' ' OE1' ' A' ' 34' ' ' GLU . 38.9 ttp180 -60.01 -41.75 92.83 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 120.825 -1.397 . . . . 0.0 109.636 -179.673 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . 0.452 ' OE1' ' N ' ' A' ' 21' ' ' GLU . 3.1 mp0 -100.97 164.98 11.56 Favored 'General case' 0 N--CA 1.495 1.803 0 O-C-N 121.31 -0.869 . . . . 0.0 109.497 -179.499 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -55.76 -16.6 12.32 Favored Glycine 0 N--CA 1.491 2.312 0 N-CA-C 109.628 -1.389 . . . . 0.0 109.628 179.895 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 74.1 m-20 -85.15 104.54 15.13 Favored 'General case' 0 N--CA 1.494 1.757 0 O-C-N 121.184 -1.186 . . . . 0.0 108.716 179.822 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 8.9 ptpp? -107.81 -16.78 14.24 Favored 'General case' 0 N--CA 1.497 1.91 0 O-C-N 121.48 -0.762 . . . . 0.0 110.369 -179.574 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 2.4 t60 -99.96 -7.15 25.5 Favored 'General case' 0 N--CA 1.499 1.979 0 O-C-N 121.148 -0.97 . . . . 0.0 111.436 -178.481 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 40.8 pttt -149.35 160.0 43.79 Favored 'General case' 0 N--CA 1.5 2.034 0 O-C-N 120.654 -1.279 . . . . 0.0 110.55 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 1.5 tp -106.06 135.38 47.63 Favored 'General case' 0 N--CA 1.499 1.996 0 N-CA-C 108.996 -0.742 . . . . 0.0 108.996 -179.477 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 37.4 mmtm -94.84 166.42 11.99 Favored 'General case' 0 N--CA 1.499 2.0 0 O-C-N 121.229 -0.919 . . . . 0.0 110.8 -179.324 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 34.6 mttp -60.99 -41.16 95.95 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.805 -0.56 . . . . 0.0 110.922 -178.671 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 71.7 p -67.17 -40.44 86.6 Favored 'General case' 0 N--CA 1.495 1.799 0 O-C-N 121.052 -1.03 . . . . 0.0 110.462 -178.43 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 39.6 tt0 -61.76 -36.54 81.34 Favored 'General case' 0 C--N 1.3 -1.565 0 O-C-N 121.107 -0.996 . . . . 0.0 109.455 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 56.2 tp -59.92 -43.62 94.81 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.231 -0.918 . . . . 0.0 109.809 -179.343 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 24.4 ttpp -60.18 -41.89 93.85 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 120.926 -1.109 . . . . 0.0 109.276 179.597 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . 0.543 ' OE1' ' NH2' ' A' ' 20' ' ' ARG . 98.8 mt-10 -62.25 -40.09 95.02 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.38 -0.825 . . . . 0.0 110.402 -179.722 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 42.1 tp -59.92 -48.71 80.58 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.172 -0.955 . . . . 0.0 109.179 -178.521 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 88.4 mt -65.38 -39.98 86.95 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.554 0 O-C-N 121.196 -0.94 . . . . 0.0 109.386 179.714 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -69.27 -23.21 63.81 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.439 -0.788 . . . . 0.0 110.758 -179.324 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 1.1 t30 -48.93 -75.76 0.03 OUTLIER 'General case' 0 N--CA 1.494 1.765 0 O-C-N 120.888 -1.133 . . . . 0.0 110.006 -178.937 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 25.0 tp10 -163.04 19.7 0.08 Allowed 'General case' 0 N--CA 1.493 1.686 0 O-C-N 120.877 -1.139 . . . . 0.0 109.367 179.821 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 85.0 mt -91.91 8.12 38.91 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.116 -0.99 . . . . 0.0 108.832 -179.729 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' SER . . . . . 0.412 ' O ' ' O ' ' A' ' 44' ' ' LEU . 83.8 p -60.31 -13.64 13.98 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.615 -0.678 . . . . 0.0 110.036 -179.642 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 38.4 t-80 -59.95 -47.7 84.73 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.031 -1.043 . . . . 0.0 109.641 -179.67 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 85.7 m-85 -70.04 -39.97 75.43 Favored 'General case' 0 N--CA 1.488 1.457 0 O-C-N 121.22 -0.925 . . . . 0.0 109.583 179.899 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.412 ' O ' ' O ' ' A' ' 41' ' ' SER . 66.6 mt -123.78 130.08 52.07 Favored 'General case' 0 N--CA 1.502 2.16 0 O-C-N 121.564 -0.71 . . . . 0.0 109.557 -179.471 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 57.0 tt0 -130.36 26.8 5.09 Favored 'General case' 0 N--CA 1.503 2.181 0 O-C-N 121.139 -0.975 . . . . 0.0 109.049 179.599 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 6.2 tp10 -101.69 12.91 36.33 Favored 'General case' 0 N--CA 1.501 2.084 0 O-C-N 121.3 -0.875 . . . . 0.0 110.649 -179.043 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 40.3 mm -73.75 127.8 35.83 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.797 0 O-C-N 120.621 -1.299 . . . . 0.0 109.66 -179.416 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.591 ' HZ1' ' CB ' ' A' ' 48' ' ' LYS . 0.0 OUTLIER -159.0 -61.07 0.07 Allowed 'General case' 0 N--CA 1.496 1.869 0 N-CA-C 108.764 -0.828 . . . . 0.0 108.764 179.504 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -100.71 153.87 19.08 Favored 'General case' 0 N--CA 1.495 1.78 0 O-C-N 121.324 -0.86 . . . . 0.0 108.741 179.303 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 59.4 mt-30 -60.07 -28.05 67.48 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.317 -0.865 . . . . 0.0 110.504 -179.559 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 1.6 pp20? -59.99 -33.08 71.47 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.017 -1.052 . . . . 0.0 110.156 -179.024 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 54.4 t -59.98 -46.76 93.71 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.651 0 O-C-N 121.023 -1.048 . . . . 0.0 109.172 -179.762 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 54.6 t -60.12 -45.53 95.65 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.497 0 O-C-N 121.274 -0.891 . . . . 0.0 109.066 179.764 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 63.0 t0 -61.38 -46.72 89.0 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.39 -0.819 . . . . 0.0 109.974 -179.714 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 34.9 tttm -60.14 -43.21 95.89 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.129 -0.982 . . . . 0.0 108.895 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 52.1 t -69.6 -39.98 78.97 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.568 0 O-C-N 121.659 -0.651 . . . . 0.0 110.115 179.765 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 27.3 ttt -59.96 -40.08 87.84 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.249 -0.907 . . . . 0.0 109.888 -178.601 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 86.1 tt0 -63.03 -35.07 79.01 Favored 'General case' 0 C--N 1.298 -1.636 0 O-C-N 121.024 -1.047 . . . . 0.0 109.851 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 59.9 m -60.03 -45.23 93.48 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.318 -0.864 . . . . 0.0 111.376 -177.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -81.71 -8.52 59.71 Favored 'General case' 0 N--CA 1.502 2.166 0 O-C-N 120.583 -1.323 . . . . 0.0 110.266 -179.212 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 79.8 m-20 -76.42 118.17 18.83 Favored 'General case' 0 N--CA 1.495 1.792 0 O-C-N 120.978 -1.076 . . . . 0.0 109.626 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 67.2 mm-40 -94.92 -42.79 8.49 Favored 'General case' 0 N--CA 1.496 1.87 0 O-C-N 121.263 -0.898 . . . . 0.0 109.945 -179.812 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 43.4 p-10 -101.88 0.97 36.39 Favored 'General case' 0 N--CA 1.497 1.908 0 O-C-N 121.339 -0.85 . . . . 0.0 110.062 -179.441 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 49.71 51.48 28.25 Favored Glycine 0 N--CA 1.492 2.393 0 N-CA-C 109.337 -1.505 . . . . 0.0 109.337 179.829 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 38.5 p-10 -84.76 -6.98 59.37 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.242 -1.152 . . . . 0.0 110.219 -179.335 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 88.9 -7.27 82.52 Favored Glycine 0 N--CA 1.494 2.564 0 N-CA-C 109.845 -1.302 . . . . 0.0 109.845 179.618 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 21.4 pt-20 -139.77 159.09 42.96 Favored 'General case' 0 N--CA 1.495 1.79 0 O-C-N 121.148 -1.207 . . . . 0.0 108.775 -179.847 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -112.69 112.99 24.89 Favored 'General case' 0 N--CA 1.499 1.995 0 O-C-N 121.421 -0.799 . . . . 0.0 109.722 -179.298 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 90.1 m-20 -90.54 -177.36 5.02 Favored 'General case' 0 N--CA 1.495 1.782 0 O-C-N 121.513 -0.742 . . . . 0.0 109.436 179.548 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 66.9 t80 -59.99 -40.28 88.66 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.41 -0.806 . . . . 0.0 110.712 -179.642 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 1.5 tm0? -59.96 -43.84 94.8 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.005 -1.059 . . . . 0.0 109.793 -179.716 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 69.6 mt-10 -64.86 -35.31 80.71 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.088 -1.007 . . . . 0.0 110.104 -179.813 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 50.2 t80 -58.48 -40.01 81.56 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.171 -0.956 . . . . 0.0 109.261 -179.685 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 91.2 mmm -59.98 -38.31 82.17 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.11 -0.994 . . . . 0.0 109.125 179.306 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . 0.405 ' O ' ' OG ' ' A' ' 78' ' ' SER . . . -58.34 -40.1 81.24 Favored 'General case' 0 N--CA 1.488 1.453 0 O-C-N 121.293 -0.879 . . . . 0.0 109.576 -179.322 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 70.8 t80 -60.04 -40.01 87.9 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.045 -1.035 . . . . 0.0 109.971 179.514 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 61.1 t -59.99 -42.44 89.58 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.506 0 O-C-N 121.121 -0.987 . . . . 0.0 108.845 -179.892 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' SER . . . . . 0.405 ' OG ' ' O ' ' A' ' 75' ' ' ALA . 81.1 p -61.14 -39.28 89.45 Favored 'General case' 0 N--CA 1.488 1.439 0 O-C-N 121.36 -0.838 . . . . 0.0 108.936 179.036 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 49.3 ttm -60.03 -40.24 88.67 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.65 -0.656 . . . . 0.0 110.498 -179.429 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 64.6 t -67.41 -41.27 86.03 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.666 0 O-C-N 120.936 -1.103 . . . . 0.0 110.278 -179.21 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 81.8 p -69.14 -41.71 76.96 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.061 -1.024 . . . . 0.0 110.772 -178.734 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 82.6 p -71.22 -40.06 71.33 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.087 -1.008 . . . . 0.0 109.74 -179.899 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -69.94 -40.04 75.71 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.327 -0.858 . . . . 0.0 110.68 -179.653 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 15.5 p -67.71 146.61 53.62 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.153 -0.967 . . . . 0.0 110.317 -178.872 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 76.6 m80 -82.22 162.58 22.31 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.469 -0.769 . . . . 0.0 109.824 179.703 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . 0.574 ' C ' ' H ' ' A' ' 88' ' ' PHE . 99.2 mt-10 -89.43 -0.08 57.23 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.38 -0.825 . . . . 0.0 109.229 179.746 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 34.4 t80 -67.47 17.44 0.03 OUTLIER 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.318 -0.864 . . . . 0.0 110.052 -179.492 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . 0.574 ' H ' ' C ' ' A' ' 86' ' ' GLU . 7.6 m-85 -73.32 -4.87 35.98 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.067 -1.021 . . . . 0.0 109.006 179.49 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . 0.474 ' O ' ' O ' ' A' ' 88' ' ' PHE . 3.4 pt-20 -48.73 -99.15 0.0 OUTLIER 'General case' 0 N--CA 1.495 1.824 0 O-C-N 121.4 -0.813 . . . . 0.0 109.312 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 64.0 t60 -78.22 153.74 31.67 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 120.835 -1.166 . . . . 0.0 108.912 179.774 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 19.7 pt-20 . . . . . 0 N--CA 1.491 1.607 0 O-C-N 121.05 -1.031 . . . . 0.0 109.562 -179.733 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 0' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.49 1.552 0 N-CA-C 109.266 -0.642 . . . . 0.0 109.266 . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 31.2 t -70.12 132.36 45.71 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.139 -0.975 . . . . 0.0 109.596 179.887 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 13.6 tm-20 -60.0 -36.45 77.23 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.517 -0.739 . . . . 0.0 109.867 -179.735 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 3' ' ' LEU . . . . . 0.484 ' N ' ' CD2' ' B' ' 3' ' ' LEU . 3.3 mm? -58.71 -39.25 80.28 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.455 -0.778 . . . . 0.0 109.915 -178.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 70.3 mm-40 -59.99 -40.57 89.62 Favored 'General case' 0 C--N 1.3 -1.549 0 O-C-N 120.755 -1.216 . . . . 0.0 109.346 -179.867 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 38.8 ttpt -69.98 -39.97 75.62 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 120.875 -1.141 . . . . 0.0 109.903 179.501 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -69.63 -40.14 76.74 Favored 'General case' 0 N--CA 1.494 1.736 0 O-C-N 121.193 -0.942 . . . . 0.0 110.13 -179.241 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 7' ' ' MET . . . . . . . . . . . . . 6.8 mmt -61.87 -40.22 94.62 Favored 'General case' 0 C--N 1.303 -1.418 0 O-C-N 121.126 -0.983 . . . . 0.0 108.749 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 53.1 t -70.14 -42.05 79.09 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.392 0 O-C-N 121.537 -0.727 . . . . 0.0 109.489 179.419 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -66.69 -42.27 86.76 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.205 -0.934 . . . . 0.0 110.256 -179.34 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 61.9 tp -59.98 -50.07 75.21 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.047 -1.033 . . . . 0.0 109.268 -179.926 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 93.2 mt -70.01 -41.09 79.23 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.681 0 O-C-N 121.299 -0.876 . . . . 0.0 110.549 179.683 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 62.1 t0 -59.99 -47.35 86.19 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.181 -0.95 . . . . 0.0 110.835 -178.641 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 58.7 t -60.31 -42.51 90.92 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.526 0 O-C-N 121.179 -0.951 . . . . 0.0 110.055 -178.861 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 14' ' ' PHE . . . . . . . . . . . . . 63.9 t80 -60.07 -44.56 94.66 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.03 -1.044 . . . . 0.0 110.591 -179.536 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 11.0 t-80 -64.04 -52.21 60.49 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.07 -1.019 . . . . 0.0 110.475 -178.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 28.5 mt-30 -69.98 -39.95 75.65 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.275 -0.891 . . . . 0.0 111.292 -178.829 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 24.3 t80 -69.59 -43.68 72.31 Favored 'General case' 0 N--CA 1.495 1.78 0 O-C-N 121.04 -1.038 . . . . 0.0 110.572 -178.594 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 53.6 p -74.97 -20.0 59.85 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.213 -0.929 . . . . 0.0 110.292 -179.174 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -77.51 -2.07 78.74 Favored Glycine 0 N--CA 1.49 2.265 0 C-N-CA 120.086 -1.054 . . . . 0.0 110.937 -178.867 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 20' ' ' ARG . . . . . 0.539 ' NH2' ' OE1' ' B' ' 34' ' ' GLU . 38.9 ttp180 -60.05 -41.8 93.11 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 120.735 -1.45 . . . . 0.0 109.627 -179.826 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 21' ' ' GLU . . . . . 0.429 ' OE1' ' N ' ' B' ' 21' ' ' GLU . 3.2 mp0 -100.42 165.64 11.35 Favored 'General case' 0 N--CA 1.496 1.862 0 O-C-N 121.327 -0.858 . . . . 0.0 109.486 -179.489 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . -56.34 -16.76 16.0 Favored Glycine 0 N--CA 1.489 2.2 0 N-CA-C 109.556 -1.418 . . . . 0.0 109.556 179.755 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 74.6 m-20 -85.12 104.97 15.49 Favored 'General case' 0 N--CA 1.494 1.756 0 O-C-N 121.076 -1.249 . . . . 0.0 108.77 179.772 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 8.8 ptpp? -108.37 -16.36 14.25 Favored 'General case' 0 N--CA 1.498 1.926 0 O-C-N 121.611 -0.681 . . . . 0.0 110.237 -179.616 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 25' ' ' HIS . . . . . . . . . . . . . 2.5 t60 -99.93 -7.43 25.22 Favored 'General case' 0 N--CA 1.501 2.098 0 O-C-N 121.218 -0.926 . . . . 0.0 111.45 -178.617 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 40.8 pttt -149.33 160.02 43.77 Favored 'General case' 0 N--CA 1.499 1.983 0 O-C-N 120.533 -1.354 . . . . 0.0 110.526 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 1.3 tp -106.36 135.39 47.93 Favored 'General case' 0 N--CA 1.497 1.908 0 N-CA-C 108.818 -0.808 . . . . 0.0 108.818 -179.29 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 37.5 mmtm -94.64 167.17 11.63 Favored 'General case' 0 N--CA 1.499 2.012 0 O-C-N 121.212 -0.93 . . . . 0.0 110.798 -179.179 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 35.7 mttp -61.52 -41.22 97.0 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.86 -0.525 . . . . 0.0 110.93 -178.655 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 63.2 p -67.23 -40.49 86.36 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 121.145 -0.972 . . . . 0.0 110.49 -178.476 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 41.3 tt0 -61.91 -36.47 81.41 Favored 'General case' 0 C--N 1.302 -1.459 0 O-C-N 121.092 -1.005 . . . . 0.0 109.368 -179.868 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 57.8 tp -60.01 -43.28 95.32 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.179 -0.951 . . . . 0.0 109.871 -179.432 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 24.4 ttpp -59.96 -42.14 93.42 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 120.965 -1.084 . . . . 0.0 109.224 179.528 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 34' ' ' GLU . . . . . 0.539 ' OE1' ' NH2' ' B' ' 20' ' ' ARG . 97.6 mt-10 -62.22 -39.99 94.64 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.454 -0.779 . . . . 0.0 110.624 -179.704 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 36.1 tp -60.05 -48.84 80.06 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.152 -0.967 . . . . 0.0 109.135 -178.8 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 91.5 mt -65.03 -39.9 87.22 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.549 0 O-C-N 121.169 -0.957 . . . . 0.0 109.443 179.864 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -69.73 -22.89 63.34 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.409 -0.807 . . . . 0.0 110.774 -179.293 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 1.1 t30 -49.07 -75.6 0.03 OUTLIER 'General case' 0 N--CA 1.493 1.714 0 O-C-N 120.81 -1.181 . . . . 0.0 109.887 -179.048 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 24.7 tp10 -163.38 19.95 0.08 Allowed 'General case' 0 N--CA 1.493 1.702 0 O-C-N 120.989 -1.069 . . . . 0.0 109.365 179.845 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 87.5 mt -91.87 7.98 39.45 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.016 -1.052 . . . . 0.0 108.808 -179.895 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 41' ' ' SER . . . . . 0.429 ' O ' ' O ' ' B' ' 44' ' ' LEU . 81.8 p -60.15 -13.6 12.95 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.644 -0.66 . . . . 0.0 109.998 -179.498 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 42' ' ' HIS . . . . . . . . . . . . . 38.0 t-80 -60.0 -47.57 85.28 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.083 -1.01 . . . . 0.0 109.652 -179.693 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 86.1 m-85 -70.07 -39.93 75.34 Favored 'General case' 0 C--N 1.302 -1.464 0 O-C-N 121.285 -0.885 . . . . 0.0 109.573 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 44' ' ' LEU . . . . . 0.429 ' O ' ' O ' ' B' ' 41' ' ' SER . 53.2 mt -124.16 130.36 52.4 Favored 'General case' 0 N--CA 1.502 2.13 0 O-C-N 121.55 -0.719 . . . . 0.0 109.488 -179.748 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 56.7 tt0 -129.98 26.34 5.22 Favored 'General case' 0 N--CA 1.502 2.141 0 O-C-N 121.233 -0.917 . . . . 0.0 108.941 179.674 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 6.4 tp10 -101.46 13.04 36.21 Favored 'General case' 0 N--CA 1.5 2.068 0 O-C-N 121.245 -0.909 . . . . 0.0 110.778 -178.916 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 40.3 mm -73.88 127.96 36.01 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.815 0 O-C-N 120.628 -1.295 . . . . 0.0 109.652 -179.288 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 48' ' ' LYS . . . . . 0.577 ' CB ' ' HZ1' ' B' ' 48' ' ' LYS . 0.0 OUTLIER -159.01 -60.66 0.07 Allowed 'General case' 0 N--CA 1.496 1.832 0 O-C-N 121.346 -0.846 . . . . 0.0 108.95 179.418 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 49' ' ' GLU . . . . . 0.402 ' H ' ' HG3' ' B' ' 48' ' ' LYS . 44.2 mt-10 -101.3 154.36 18.85 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.162 -0.961 . . . . 0.0 108.477 179.471 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 58.7 mt-30 -60.16 -28.67 68.11 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.163 -0.96 . . . . 0.0 110.479 -179.491 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 1.6 pp20? -59.33 -33.3 70.97 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.117 -0.989 . . . . 0.0 110.263 -179.142 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 54.5 t -60.0 -46.9 93.58 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.615 0 O-C-N 120.918 -1.113 . . . . 0.0 109.106 -179.652 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 53.9 t -60.19 -45.02 96.56 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.445 0 O-C-N 121.246 -0.909 . . . . 0.0 109.311 179.827 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 62.8 t0 -61.6 -46.69 88.76 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.276 -0.89 . . . . 0.0 109.965 -179.731 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 32.0 tttm -60.19 -43.0 96.26 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.207 -0.933 . . . . 0.0 108.928 179.821 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 54.6 t -69.74 -39.89 78.51 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.59 0 O-C-N 121.656 -0.652 . . . . 0.0 109.911 179.788 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 57' ' ' MET . . . . . . . . . . . . . 27.2 ttt -60.1 -39.99 88.07 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.161 -0.962 . . . . 0.0 110.102 -178.54 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 87.3 tt0 -63.36 -34.84 78.59 Favored 'General case' 0 C--N 1.296 -1.726 0 O-C-N 121.183 -0.948 . . . . 0.0 109.725 -179.931 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 62.5 m -60.0 -45.31 93.17 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.177 -0.952 . . . . 0.0 111.291 -178.138 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -81.59 -8.8 59.76 Favored 'General case' 0 N--CA 1.501 2.084 0 O-C-N 120.466 -1.396 . . . . 0.0 110.339 -179.167 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 79.1 m-20 -76.38 118.43 19.06 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 120.856 -1.153 . . . . 0.0 109.574 -179.915 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 67.4 mm-40 -95.09 -42.24 8.7 Favored 'General case' 0 N--CA 1.495 1.778 0 O-C-N 121.293 -0.879 . . . . 0.0 110.016 -179.688 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 43.6 p-10 -102.43 1.55 35.44 Favored 'General case' 0 N--CA 1.496 1.859 0 O-C-N 121.342 -0.849 . . . . 0.0 110.171 -179.658 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 48.86 52.39 21.33 Favored Glycine 0 N--CA 1.492 2.384 0 N-CA-C 109.463 -1.455 . . . . 0.0 109.463 179.867 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 38.0 p-10 -85.46 -6.77 59.17 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.273 -1.134 . . . . 0.0 110.149 -179.236 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 88.92 -7.67 81.56 Favored Glycine 0 N--CA 1.494 2.548 0 N-CA-C 109.72 -1.352 . . . . 0.0 109.72 179.696 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 21.5 pt-20 -139.61 159.58 41.84 Favored 'General case' 0 N--CA 1.495 1.819 0 O-C-N 121.227 -1.161 . . . . 0.0 109.004 -179.871 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 68' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -113.12 112.78 24.4 Favored 'General case' 0 N--CA 1.5 2.036 0 O-C-N 121.498 -0.751 . . . . 0.0 109.799 -179.273 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 90.1 m-20 -90.03 -177.48 5.19 Favored 'General case' 0 N--CA 1.494 1.725 0 O-C-N 121.529 -0.732 . . . . 0.0 109.505 179.489 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 69.7 t80 -59.98 -40.34 88.8 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.397 -0.814 . . . . 0.0 110.58 -179.653 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 1.5 tm0? -60.04 -43.4 95.36 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 120.956 -1.09 . . . . 0.0 109.787 -179.635 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 71.8 mt-10 -65.45 -35.12 79.96 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.103 -0.998 . . . . 0.0 109.991 -179.632 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 73' ' ' PHE . . . . . . . . . . . . . 49.3 t80 -58.54 -40.01 81.78 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.062 -1.024 . . . . 0.0 109.257 -179.869 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 74' ' ' MET . . . . . . . . . . . . . 92.2 mmm -60.06 -37.91 81.27 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.154 -0.966 . . . . 0.0 108.941 179.225 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 75' ' ' ALA . . . . . 0.402 ' O ' ' OG ' ' B' ' 78' ' ' SER . . . -58.51 -39.99 81.64 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.27 -0.894 . . . . 0.0 109.66 -179.513 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 69.9 t80 -60.04 -40.09 88.17 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.014 -1.054 . . . . 0.0 109.962 179.421 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 77' ' ' VAL . . . . . . . . . . . . . 57.8 t -60.02 -42.1 88.54 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.461 0 O-C-N 121.229 -0.919 . . . . 0.0 108.971 -179.667 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 78' ' ' SER . . . . . 0.608 ' HG ' ' N ' ' B' ' 79' ' ' MET . 80.6 p -61.81 -39.0 90.22 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.398 -0.814 . . . . 0.0 108.945 179.048 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 79' ' ' MET . . . . . 0.608 ' N ' ' HG ' ' B' ' 78' ' ' SER . 50.5 ttm -59.96 -40.19 88.19 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.612 -0.68 . . . . 0.0 110.393 -179.647 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 58.6 t -67.37 -41.95 86.9 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.696 0 O-C-N 121.066 -1.021 . . . . 0.0 110.324 -179.006 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 82.3 p -68.68 -42.16 78.23 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.131 -0.981 . . . . 0.0 110.63 -178.724 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 82.6 p -71.07 -40.02 71.84 Favored 'General case' 0 N--CA 1.489 1.475 0 O-C-N 121.077 -1.014 . . . . 0.0 109.814 -179.614 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -69.93 -39.99 75.8 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.38 -0.825 . . . . 0.0 110.481 -179.66 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 84' ' ' CYS . . . . . . . . . . . . . 14.9 p -67.76 146.34 53.84 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.046 -1.033 . . . . 0.0 110.489 -178.92 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 85' ' ' HIS . . . . . . . . . . . . . 76.2 m80 -81.95 162.27 22.76 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.508 -0.745 . . . . 0.0 109.91 179.855 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 86' ' ' GLU . . . . . 0.573 ' C ' ' H ' ' B' ' 88' ' ' PHE . 98.7 mt-10 -89.23 -0.24 57.3 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 121.321 -0.862 . . . . 0.0 109.248 179.689 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 87' ' ' PHE . . . . . . . . . . . . . 34.5 t80 -67.19 16.94 0.03 OUTLIER 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.303 -0.873 . . . . 0.0 110.09 -179.499 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 88' ' ' PHE . . . . . 0.573 ' H ' ' C ' ' B' ' 86' ' ' GLU . 7.3 m-85 -72.97 -4.89 35.03 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.026 -1.046 . . . . 0.0 108.994 179.664 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 89' ' ' GLU . . . . . 0.491 ' O ' ' O ' ' B' ' 88' ' ' PHE . 3.0 pt-20 -49.05 -100.17 0.0 OUTLIER 'General case' 0 N--CA 1.494 1.749 0 O-C-N 121.338 -0.851 . . . . 0.0 109.16 -179.873 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 90' ' ' HIS . . . . . . . . . . . . . 58.4 t60 -76.37 153.07 36.08 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 120.799 -1.188 . . . . 0.0 109.235 179.473 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 19.6 pt-20 . . . . . 0 N--CA 1.491 1.576 0 O-C-N 121.047 -1.033 . . . . 0.0 109.584 179.936 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 92' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 93' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 68.0 mtm . . . . . 0 N--CA 1.49 1.565 0 N-CA-C 109.199 -0.667 . . . . 0.0 109.199 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 34.0 t -104.92 19.87 19.79 Favored 'General case' 0 N--CA 1.498 1.962 0 O-C-N 121.404 -0.81 . . . . 0.0 109.437 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -60.07 -40.04 88.11 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.276 -0.89 . . . . 0.0 110.183 -179.891 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 27.7 mt -61.16 -42.29 98.3 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.021 -1.049 . . . . 0.0 109.318 179.826 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -60.08 -46.33 89.92 Favored 'General case' 0 C--N 1.303 -1.441 0 O-C-N 121.328 -0.857 . . . . 0.0 109.414 -179.432 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 64.2 tttm -64.03 -40.06 95.48 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.236 -0.915 . . . . 0.0 109.37 179.7 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -60.07 -40.99 91.44 Favored 'General case' 0 N--CA 1.488 1.459 0 O-C-N 121.233 -0.917 . . . . 0.0 110.064 -179.459 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 98.8 mtp -61.09 -40.54 94.09 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.021 -1.049 . . . . 0.0 109.022 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 53.2 t -62.66 -40.02 86.88 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.68 0 O-C-N 121.53 -0.731 . . . . 0.0 110.41 179.838 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.0 -45.84 91.43 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.058 -1.026 . . . . 0.0 110.88 -178.347 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.408 ' CD2' ' N ' ' A' ' 10' ' ' LEU . 2.8 mm? -60.03 -44.16 94.81 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 120.682 -1.261 . . . . 0.0 109.599 -179.571 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 96.6 mt -69.94 -43.67 79.25 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.55 0 O-C-N 121.077 -1.014 . . . . 0.0 110.433 -179.503 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 95.6 m-20 -69.99 -39.94 75.6 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.041 -1.037 . . . . 0.0 110.425 -179.819 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 53.2 t -65.49 -40.34 87.89 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.411 0 O-C-N 121.001 -1.062 . . . . 0.0 109.953 -179.066 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 67.5 t80 -60.06 -48.46 81.61 Favored 'General case' 0 N--CA 1.495 1.81 0 O-C-N 120.854 -1.154 . . . . 0.0 110.625 -179.564 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 5.5 m80 -69.85 -33.1 71.83 Favored 'General case' 0 N--CA 1.497 1.888 0 O-C-N 120.9 -1.125 . . . . 0.0 109.974 -179.769 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 32.0 tt0 -59.92 -49.97 75.58 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 120.976 -1.077 . . . . 0.0 110.261 -178.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 36.0 m-85 -72.48 -41.47 65.97 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.146 -0.971 . . . . 0.0 110.272 -179.836 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' SER . . . . . 0.644 ' HG ' ' N ' ' A' ' 19' ' ' GLY . 25.8 p -62.82 -40.2 96.66 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.073 -1.017 . . . . 0.0 110.424 -178.857 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . 0.644 ' N ' ' HG ' ' A' ' 18' ' ' SER . . . -79.02 -3.69 88.33 Favored Glycine 0 N--CA 1.489 2.19 0 N-CA-C 109.404 -1.478 . . . . 0.0 109.404 -179.366 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . 0.554 ' CG ' HH11 ' A' ' 20' ' ' ARG . 0.6 OUTLIER -60.07 -40.23 88.78 Favored 'General case' 0 C--N 1.303 -1.423 0 O-C-N 121.403 -1.057 . . . . 0.0 109.4 -179.839 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . 0.426 ' O ' ' O ' ' A' ' 22' ' ' GLY . 49.1 tp10 -147.56 87.57 1.65 Allowed 'General case' 0 N--CA 1.495 1.804 0 O-C-N 121.133 -0.98 . . . . 0.0 109.409 179.505 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . 0.426 ' O ' ' O ' ' A' ' 21' ' ' GLU . . . 44.71 -168.17 0.02 OUTLIER Glycine 0 N--CA 1.493 2.48 0 N-CA-C 109.916 -1.274 . . . . 0.0 109.916 179.665 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . 0.485 ' O ' ' O ' ' A' ' 26' ' ' LYS . 79.6 m-20 50.0 42.22 24.3 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.099 -1.236 . . . . 0.0 108.815 179.859 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 22.5 pttp -65.23 -32.88 74.78 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.164 -0.96 . . . . 0.0 110.376 -179.183 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 16.3 t60 -90.3 -6.33 55.25 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.013 -1.054 . . . . 0.0 110.744 -179.168 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.485 ' O ' ' O ' ' A' ' 23' ' ' ASP . 42.6 mttm -142.52 159.03 43.03 Favored 'General case' 0 N--CA 1.503 2.205 0 O-C-N 120.783 -1.198 . . . . 0.0 109.74 -179.526 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 83.5 mt -114.21 133.5 55.57 Favored 'General case' 0 N--CA 1.502 2.148 0 N-CA-C 108.013 -1.106 . . . . 0.0 108.013 178.525 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.461 ' HG2' ' H ' ' A' ' 29' ' ' LYS . 1.4 ttmp? -92.27 179.53 5.53 Favored 'General case' 0 N--CA 1.498 1.96 0 O-C-N 121.227 -0.92 . . . . 0.0 109.77 -178.94 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.461 ' H ' ' HG2' ' A' ' 28' ' ' LYS . 0.3 OUTLIER -59.95 -45.32 93.01 Favored 'General case' 0 N--CA 1.494 1.751 0 O-C-N 121.394 -0.817 . . . . 0.0 110.507 -178.696 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 56.0 m -60.05 -41.42 92.28 Favored 'General case' 0 N--CA 1.495 1.795 0 O-C-N 120.753 -1.217 . . . . 0.0 110.716 -178.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -69.94 -39.33 76.14 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.153 -0.967 . . . . 0.0 110.182 -179.579 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 53.3 tp -60.06 -49.93 75.7 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.078 -1.014 . . . . 0.0 109.862 -179.228 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 64.6 tttm -63.67 -41.23 98.21 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 120.933 -1.105 . . . . 0.0 110.308 -179.806 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 61.9 tt0 -60.81 -40.12 91.48 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.157 -0.965 . . . . 0.0 110.343 -179.051 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -59.94 -44.52 94.33 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.277 -0.89 . . . . 0.0 109.588 -178.887 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.461 ' O ' ' O ' ' A' ' 40' ' ' LEU . 3.1 mp -75.68 -31.33 22.74 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.916 0 O-C-N 120.731 -1.231 . . . . 0.0 109.858 179.409 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 20.5 t-20 -58.16 -72.3 0.09 Allowed 'General case' 0 N--CA 1.494 1.764 0 O-C-N 120.814 -1.179 . . . . 0.0 112.393 -177.768 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 4.0 p-10 -81.07 -19.76 43.02 Favored 'General case' 0 N--CA 1.498 1.948 0 O-C-N 121.315 -0.866 . . . . 0.0 113.054 -177.064 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 1.5 tm-20 -89.91 -77.36 0.4 Allowed 'General case' 0 N--CA 1.502 2.175 0 O-C-N 120.47 -1.393 . . . . 0.0 110.613 -178.022 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.461 ' O ' ' O ' ' A' ' 36' ' ' ILE . 0.7 OUTLIER -90.4 111.75 23.1 Favored 'General case' 0 N--CA 1.497 1.877 0 O-C-N 120.899 -1.126 . . . . 0.0 108.805 -179.517 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 80.8 p -145.24 18.02 1.55 Allowed 'General case' 0 N--CA 1.495 1.78 0 O-C-N 121.049 -1.032 . . . . 0.0 110.032 -179.668 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 41.8 t-80 -126.87 -19.48 4.45 Favored 'General case' 0 N--CA 1.501 2.11 0 O-C-N 121.435 -0.791 . . . . 0.0 110.652 -179.137 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 57.3 m-85 -78.5 -62.36 1.71 Allowed 'General case' 0 N--CA 1.495 1.779 0 O-C-N 120.834 -1.166 . . . . 0.0 110.903 -178.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -89.99 -75.34 0.46 Allowed 'General case' 0 N--CA 1.501 2.085 0 O-C-N 121.118 -0.989 . . . . 0.0 110.223 -178.843 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 52.4 tt0 64.94 20.83 12.21 Favored 'General case' 0 N--CA 1.494 1.747 0 O-C-N 121.56 -0.713 . . . . 0.0 109.209 -179.068 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 15.3 pt-20 -94.4 0.01 55.14 Favored 'General case' 0 N--CA 1.496 1.861 0 O-C-N 121.247 -0.908 . . . . 0.0 110.12 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 85.8 mt -79.47 114.21 19.94 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.763 0 O-C-N 120.939 -1.101 . . . . 0.0 109.486 -179.464 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 4.7 mmmm -106.33 -51.02 3.03 Favored 'General case' 0 N--CA 1.499 1.978 0 O-C-N 121.575 -0.703 . . . . 0.0 110.615 -179.679 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 80.4 mm-40 -111.03 156.86 20.66 Favored 'General case' 0 N--CA 1.501 2.098 0 O-C-N 121.354 -0.842 . . . . 0.0 110.582 -178.693 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 51.9 tt0 -59.97 -37.02 78.4 Favored 'General case' 0 N--CA 1.493 1.684 0 CA-C-O 121.438 0.637 . . . . 0.0 109.295 179.154 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 77.0 mm-40 -53.08 -33.75 53.5 Favored 'General case' 0 C--N 1.301 -1.543 0 O-C-N 121.456 -0.777 . . . . 0.0 109.491 -179.281 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 79.2 t -60.06 -40.02 82.03 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.518 0 O-C-N 121.103 -0.998 . . . . 0.0 109.527 -179.886 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 54.5 t -60.16 -42.21 89.37 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.66 0 O-C-N 121.063 -1.023 . . . . 0.0 109.445 179.417 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 50.1 t0 -60.12 -46.96 87.86 Favored 'General case' 0 N--CA 1.494 1.769 0 O-C-N 121.144 -0.972 . . . . 0.0 109.725 -179.748 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 2.5 ttmp? -59.97 -41.17 91.4 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.277 -0.889 . . . . 0.0 109.174 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 65.4 t -66.53 -40.37 86.22 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.475 0 O-C-N 121.304 -0.872 . . . . 0.0 109.125 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 8.9 ttt -60.31 -41.9 94.43 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.328 -0.858 . . . . 0.0 110.214 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -63.91 -39.91 95.27 Favored 'General case' 0 C--N 1.302 -1.46 0 O-C-N 121.339 -0.85 . . . . 0.0 109.719 -179.316 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 86.1 m -67.12 -46.66 73.5 Favored 'General case' 0 N--CA 1.488 1.428 0 N-CA-C 108.556 -0.905 . . . . 0.0 108.556 179.209 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 42.9 tp -61.03 -50.09 74.76 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.162 -0.961 . . . . 0.0 110.023 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . 0.446 ' OD1' ' N ' ' A' ' 64' ' ' GLY . 12.5 t70 -81.87 69.18 8.5 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.023 -1.048 . . . . 0.0 110.574 -179.181 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 7.1 tm-20 -70.16 -32.23 70.1 Favored 'General case' 0 N--CA 1.49 1.568 0 N-CA-C 108.434 -0.95 . . . . 0.0 108.434 178.57 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 5.0 p-10 -60.05 -37.5 80.01 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.826 -0.546 . . . . 0.0 110.315 -179.434 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . 0.446 ' N ' ' OD1' ' A' ' 61' ' ' ASP . . . 99.11 30.37 6.71 Favored Glycine 0 N--CA 1.502 3.06 0 N-CA-C 110.466 -1.053 . . . . 0.0 110.466 179.533 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . 0.451 ' OD1' ' O ' ' A' ' 65' ' ' ASP . 65.7 t0 -86.61 -19.41 29.38 Favored 'General case' 0 N--CA 1.496 1.834 0 O-C-N 120.897 -1.355 . . . . 0.0 108.951 179.277 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 71.36 -0.93 30.22 Favored Glycine 0 N--CA 1.492 2.377 0 N-CA-C 109.25 -1.54 . . . . 0.0 109.25 179.894 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 49.0 mt-10 -135.82 156.05 49.39 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 121.493 -1.004 . . . . 0.0 108.597 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 44.6 m -89.74 116.25 27.71 Favored 'General case' 0 N--CA 1.494 1.736 0 O-C-N 120.934 -1.104 . . . . 0.0 109.387 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . 0.536 ' OD1' ' N ' ' A' ' 70' ' ' PHE . 18.9 t0 -88.85 171.09 10.18 Favored 'General case' 0 N--CA 1.491 1.581 0 N-CA-C 108.722 -0.844 . . . . 0.0 108.722 179.869 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' PHE . . . . . 0.536 ' N ' ' OD1' ' A' ' 69' ' ' ASP . 41.6 t80 -60.1 -42.35 94.49 Favored 'General case' 0 C--N 1.3 -1.55 0 O-C-N 121.075 -1.016 . . . . 0.0 108.648 -179.86 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 88.7 mt-30 -60.99 -41.43 96.48 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.381 -0.825 . . . . 0.0 109.706 179.767 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 36.8 mt-10 -64.22 -38.84 92.48 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.31 -0.869 . . . . 0.0 109.287 -179.878 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 53.9 t80 -60.06 -43.98 95.03 Favored 'General case' 0 C--N 1.3 -1.578 0 O-C-N 121.506 -0.746 . . . . 0.0 109.279 -179.697 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 95.9 mmm -67.84 -39.98 83.76 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.256 -0.902 . . . . 0.0 109.886 179.901 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -59.88 -44.61 94.11 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.137 -0.977 . . . . 0.0 109.591 -179.073 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 58.6 t80 -59.87 -49.37 77.95 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.147 -0.971 . . . . 0.0 109.262 179.569 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 66.4 t -61.27 -44.43 98.39 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.476 0 O-C-N 121.245 -0.909 . . . . 0.0 109.195 -179.818 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 25.8 t -60.49 -43.42 97.01 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.299 -0.876 . . . . 0.0 109.684 -179.763 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 63.0 ttp -60.24 -40.04 88.85 Favored 'General case' 0 C--N 1.303 -1.436 0 O-C-N 121.151 -0.968 . . . . 0.0 109.917 -179.439 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 57.9 t -69.12 -44.26 81.07 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.562 0 O-C-N 121.138 -0.976 . . . . 0.0 109.872 -179.66 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' THR . . . . . 0.526 ' O ' ' SG ' ' A' ' 84' ' ' CYS . 27.9 m -61.32 -40.78 95.48 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.104 -0.997 . . . . 0.0 109.691 -179.608 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 35.5 p -68.3 -39.01 82.2 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.102 -0.999 . . . . 0.0 109.279 179.773 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -73.41 -22.96 60.1 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.461 -0.774 . . . . 0.0 110.716 -179.402 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' CYS . . . . . 0.539 ' O ' ' SG ' ' A' ' 84' ' ' CYS . 14.8 p -43.96 116.14 0.94 Allowed 'General case' 0 N--CA 1.496 1.868 0 O-C-N 121.127 -0.983 . . . . 0.0 110.598 -178.774 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 71.8 t60 -98.22 -42.19 7.54 Favored 'General case' 0 N--CA 1.497 1.89 0 O-C-N 120.996 -1.065 . . . . 0.0 109.374 179.73 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . 0.58 ' H ' ' CD ' ' A' ' 86' ' ' GLU . 0.8 OUTLIER -71.04 140.52 50.77 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 121.425 -0.797 . . . . 0.0 110.126 -179.67 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 96.5 m-85 -113.12 141.1 47.3 Favored 'General case' 0 N--CA 1.5 2.035 0 O-C-N 121.532 -0.73 . . . . 0.0 110.1 -179.445 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 63.8 m-85 -95.2 117.81 30.89 Favored 'General case' 0 N--CA 1.498 1.942 0 O-C-N 121.179 -0.951 . . . . 0.0 109.031 179.112 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 67.0 tt0 -128.49 22.26 6.0 Favored 'General case' 0 N--CA 1.503 2.178 0 O-C-N 121.448 -0.782 . . . . 0.0 109.43 -179.869 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 79.0 m-70 -60.0 -37.08 78.65 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 120.482 -1.386 . . . . 0.0 108.556 179.772 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 87.8 tt0 . . . . . 0 N--CA 1.49 1.542 0 CA-C-O 117.901 -1.047 . . . . 0.0 109.251 179.739 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 0' ' ' MET . . . . . . . . . . . . . 69.1 mtm . . . . . 0 N--CA 1.489 1.52 0 N-CA-C 109.559 -0.534 . . . . 0.0 109.559 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 30.2 t -105.44 19.85 19.88 Favored 'General case' 0 N--CA 1.497 1.904 0 O-C-N 121.476 -0.765 . . . . 0.0 109.393 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -59.94 -40.21 88.2 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.147 -0.971 . . . . 0.0 110.036 -179.8 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 35.9 mt -60.65 -42.72 97.55 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 120.971 -1.081 . . . . 0.0 109.352 179.739 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 88.7 tt0 -60.02 -45.81 91.57 Favored 'General case' 0 C--N 1.303 -1.449 0 O-C-N 121.357 -0.84 . . . . 0.0 109.376 -179.43 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 63.6 tttm -64.49 -40.04 94.92 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.25 -0.906 . . . . 0.0 109.247 179.702 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -60.03 -41.4 92.15 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.432 -0.793 . . . . 0.0 109.999 -179.295 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 7' ' ' MET . . . . . . . . . . . . . 97.8 mtp -61.15 -40.47 93.96 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 120.941 -1.099 . . . . 0.0 109.006 179.829 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 47.0 t -62.76 -40.01 87.01 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.71 0 O-C-N 121.572 -0.705 . . . . 0.0 110.355 179.923 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.05 -45.38 93.04 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 121.009 -1.057 . . . . 0.0 110.773 -178.198 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 10' ' ' LEU . . . . . 0.4 ' N ' ' CD2' ' B' ' 10' ' ' LEU . 2.9 mm? -59.99 -44.4 94.53 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 120.883 -1.136 . . . . 0.0 109.8 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 96.6 mt -69.96 -43.58 79.28 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.581 0 O-C-N 121.103 -0.998 . . . . 0.0 110.343 -179.519 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 95.9 m-20 -70.04 -39.95 75.44 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.079 -1.013 . . . . 0.0 110.432 -179.73 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 54.3 t -65.47 -40.58 88.69 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.523 0 O-C-N 121.106 -0.996 . . . . 0.0 109.998 -179.032 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 14' ' ' PHE . . . . . . . . . . . . . 68.1 t80 -59.94 -48.53 81.33 Favored 'General case' 0 N--CA 1.495 1.807 0 O-C-N 120.95 -1.094 . . . . 0.0 110.602 -179.361 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 5.7 m80 -69.87 -32.94 71.57 Favored 'General case' 0 N--CA 1.496 1.872 0 O-C-N 120.959 -1.088 . . . . 0.0 110.063 -179.898 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 32.4 tt0 -59.98 -49.65 76.82 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.034 -1.041 . . . . 0.0 110.215 -178.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 36.7 m-85 -73.05 -41.34 64.27 Favored 'General case' 0 N--CA 1.494 1.748 0 O-C-N 121.191 -0.943 . . . . 0.0 110.274 -179.782 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 26.6 p -62.22 -40.67 96.91 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.216 -0.927 . . . . 0.0 110.176 -179.119 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -78.53 -4.14 87.16 Favored Glycine 0 N--CA 1.49 2.289 0 N-CA-C 109.473 -1.451 . . . . 0.0 109.473 -179.342 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 20' ' ' ARG . . . . . 0.526 ' CG ' HH11 ' B' ' 20' ' ' ARG . 0.9 OUTLIER -60.03 -40.26 88.73 Favored 'General case' 0 C--N 1.302 -1.478 0 O-C-N 121.347 -1.09 . . . . 0.0 109.496 -179.808 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' B' B ' 21' ' ' GLU . . . . . 0.422 ' O ' ' O ' ' B' ' 22' ' ' GLY . 49.2 tp10 -147.87 87.32 1.61 Allowed 'General case' 0 N--CA 1.495 1.803 0 O-C-N 121.151 -0.968 . . . . 0.0 109.459 179.703 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 22' ' ' GLY . . . . . 0.422 ' O ' ' O ' ' B' ' 21' ' ' GLU . . . 45.31 -168.49 0.03 OUTLIER Glycine 0 N--CA 1.492 2.429 0 N-CA-C 109.863 -1.295 . . . . 0.0 109.863 179.588 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 23' ' ' ASP . . . . . 0.484 ' O ' ' O ' ' B' ' 26' ' ' LYS . 80.3 m-20 50.17 42.43 25.25 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.095 -1.238 . . . . 0.0 108.866 179.812 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 22.3 pttp -65.2 -33.17 75.36 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.081 -1.012 . . . . 0.0 110.382 -179.202 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 25' ' ' HIS . . . . . . . . . . . . . 16.7 t60 -90.23 -5.96 55.77 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.153 -0.967 . . . . 0.0 110.81 -179.122 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 26' ' ' LYS . . . . . 0.484 ' O ' ' O ' ' B' ' 23' ' ' ASP . 41.8 mttm -142.75 159.13 42.84 Favored 'General case' 0 N--CA 1.502 2.137 0 O-C-N 120.735 -1.228 . . . . 0.0 109.804 -179.538 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 81.5 mt -114.49 133.67 55.59 Favored 'General case' 0 N--CA 1.502 2.134 0 N-CA-C 107.895 -1.15 . . . . 0.0 107.895 178.508 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 28' ' ' LYS . . . . . 0.486 ' HG2' ' H ' ' B' ' 29' ' ' LYS . 1.5 ttmp? -92.71 179.36 5.51 Favored 'General case' 0 N--CA 1.495 1.822 0 O-C-N 121.157 -0.965 . . . . 0.0 109.803 -179.044 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . 0.486 ' H ' ' HG2' ' B' ' 28' ' ' LYS . 0.3 OUTLIER -59.8 -45.75 91.34 Favored 'General case' 0 N--CA 1.495 1.78 0 O-C-N 121.49 -0.756 . . . . 0.0 110.642 -178.676 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 57.9 m -60.14 -41.08 91.94 Favored 'General case' 0 N--CA 1.495 1.794 0 O-C-N 120.652 -1.28 . . . . 0.0 110.564 -178.866 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -69.87 -39.45 76.32 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.123 -0.986 . . . . 0.0 109.996 -179.416 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 43.2 tp -60.02 -49.88 75.94 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.171 -0.956 . . . . 0.0 110.024 -179.157 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 65.8 tttm -63.9 -40.45 96.54 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.008 -1.057 . . . . 0.0 110.239 -179.624 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 62.0 tt0 -61.41 -39.92 92.53 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.149 -0.969 . . . . 0.0 110.323 -179.176 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -60.05 -43.96 95.02 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.277 -0.89 . . . . 0.0 109.549 -178.94 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 36' ' ' ILE . . . . . 0.463 ' O ' ' O ' ' B' ' 40' ' ' LEU . 3.5 mp -76.32 -30.87 20.23 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.866 0 O-C-N 120.807 -1.183 . . . . 0.0 109.944 179.439 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 21.5 t-20 -58.62 -72.05 0.1 Allowed 'General case' 0 N--CA 1.493 1.698 0 O-C-N 120.888 -1.132 . . . . 0.0 112.172 -177.837 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 3.9 p-10 -81.31 -19.75 42.24 Favored 'General case' 0 N--CA 1.498 1.958 0 O-C-N 121.301 -0.874 . . . . 0.0 113.18 -176.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 1.5 tm-20 -89.69 -77.39 0.39 Allowed 'General case' 0 N--CA 1.502 2.173 0 O-C-N 120.401 -1.437 . . . . 0.0 110.487 -178.093 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 40' ' ' LEU . . . . . 0.463 ' O ' ' O ' ' B' ' 36' ' ' ILE . 0.7 OUTLIER -90.14 112.45 23.94 Favored 'General case' 0 N--CA 1.498 1.944 0 O-C-N 120.875 -1.141 . . . . 0.0 108.714 -179.758 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 87.9 p -145.78 17.82 1.45 Allowed 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.071 -1.018 . . . . 0.0 109.946 -179.823 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 42' ' ' HIS . . . . . . . . . . . . . 43.3 t-80 -126.9 -19.66 4.39 Favored 'General case' 0 N--CA 1.5 2.052 0 O-C-N 121.388 -0.82 . . . . 0.0 110.643 -179.173 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 57.3 m-85 -78.16 -62.46 1.67 Allowed 'General case' 0 N--CA 1.496 1.872 0 O-C-N 120.897 -1.127 . . . . 0.0 110.969 -178.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -90.31 -74.61 0.48 Allowed 'General case' 0 N--CA 1.498 1.949 0 O-C-N 120.942 -1.099 . . . . 0.0 110.245 -178.774 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 51.9 tt0 64.81 20.4 12.11 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.535 -0.728 . . . . 0.0 109.273 -179.196 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 15.4 pt-20 -93.59 -0.23 56.29 Favored 'General case' 0 N--CA 1.497 1.89 0 O-C-N 121.147 -0.971 . . . . 0.0 110.268 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 87.6 mt -78.89 114.11 19.15 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.802 0 O-C-N 120.968 -1.082 . . . . 0.0 109.561 -179.334 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 4.7 mmmm -106.08 -51.57 2.95 Favored 'General case' 0 N--CA 1.498 1.973 0 O-C-N 121.414 -0.804 . . . . 0.0 110.478 -179.739 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 79.2 mm-40 -110.71 156.77 20.55 Favored 'General case' 0 N--CA 1.5 2.071 0 O-C-N 121.39 -0.819 . . . . 0.0 110.807 -178.573 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 53.0 tt0 -60.06 -36.91 78.37 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.657 -0.652 . . . . 0.0 109.413 179.138 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 76.5 mm-40 -53.24 -33.53 53.37 Favored 'General case' 0 C--N 1.301 -1.507 0 O-C-N 121.338 -0.851 . . . . 0.0 109.244 -179.342 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 72.7 t -60.05 -40.01 81.99 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.475 0 O-C-N 121.083 -1.011 . . . . 0.0 109.376 -179.833 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 45.6 t -60.11 -42.25 89.36 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.744 0 O-C-N 121.063 -1.023 . . . . 0.0 109.46 179.435 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 50.7 t0 -60.06 -47.21 86.82 Favored 'General case' 0 N--CA 1.495 1.786 0 O-C-N 121.097 -1.002 . . . . 0.0 109.705 -179.809 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 2.5 ttmp? -59.97 -41.11 91.22 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.19 -0.944 . . . . 0.0 109.132 -179.683 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 53.8 t -66.57 -40.12 85.54 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.447 0 O-C-N 121.374 -0.829 . . . . 0.0 108.954 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 57' ' ' MET . . . . . . . . . . . . . 8.2 ttt -60.98 -41.62 96.77 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.261 -0.899 . . . . 0.0 110.261 -179.881 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -64.02 -40.18 95.75 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.206 -0.934 . . . . 0.0 109.567 -179.515 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 93.8 m -66.32 -47.3 74.0 Favored 'General case' 0 N--CA 1.488 1.43 0 O-C-N 121.217 -0.927 . . . . 0.0 108.57 178.888 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 53.6 tp -60.68 -50.04 75.09 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.196 -0.94 . . . . 0.0 110.107 -179.838 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 61' ' ' ASP . . . . . 0.433 ' OD1' ' N ' ' B' ' 64' ' ' GLY . 12.8 t70 -81.86 68.98 8.45 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.121 -0.987 . . . . 0.0 110.625 -179.022 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 7.0 tm-20 -70.17 -32.18 70.02 Favored 'General case' 0 N--CA 1.488 1.464 0 N-CA-C 108.357 -0.979 . . . . 0.0 108.357 178.49 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 5.2 p-10 -59.93 -37.61 79.99 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.908 -0.495 . . . . 0.0 110.396 -179.453 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 64' ' ' GLY . . . . . 0.433 ' N ' ' OD1' ' B' ' 61' ' ' ASP . . . 99.74 28.84 7.23 Favored Glycine 0 N--CA 1.501 2.982 0 O-C-N 121.087 -1.008 . . . . 0.0 110.714 179.466 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 65' ' ' ASP . . . . . 0.46 ' O ' ' OD1' ' B' ' 65' ' ' ASP . 65.6 t0 -85.59 -19.93 30.3 Favored 'General case' 0 N--CA 1.496 1.845 0 O-C-N 120.888 -1.36 . . . . 0.0 109.216 179.38 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 72.02 -1.01 34.93 Favored Glycine 0 N--CA 1.492 2.427 0 N-CA-C 109.25 -1.54 . . . . 0.0 109.25 179.765 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 49.5 mt-10 -135.9 155.91 49.57 Favored 'General case' 0 N--CA 1.495 1.783 0 O-C-N 121.607 -0.937 . . . . 0.0 108.619 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 68' ' ' CYS . . . . . . . . . . . . . 36.2 m -89.7 116.62 27.96 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 120.86 -1.15 . . . . 0.0 109.316 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 69' ' ' ASP . . . . . 0.547 ' OD1' ' N ' ' B' ' 70' ' ' PHE . 18.7 t0 -89.05 171.03 10.14 Favored 'General case' 0 N--CA 1.494 1.727 0 N-CA-C 108.63 -0.878 . . . . 0.0 108.63 179.893 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 70' ' ' PHE . . . . . 0.547 ' N ' ' OD1' ' B' ' 69' ' ' ASP . 41.7 t80 -60.02 -42.15 93.7 Favored 'General case' 0 C--N 1.3 -1.558 0 O-C-N 121.083 -1.01 . . . . 0.0 108.633 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 87.9 mt-30 -61.49 -41.21 96.93 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.393 -0.817 . . . . 0.0 109.661 179.886 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 35.8 mt-10 -63.96 -38.83 92.5 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.348 -0.845 . . . . 0.0 109.298 179.926 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 73' ' ' PHE . . . . . . . . . . . . . 58.0 t80 -60.02 -44.11 94.82 Favored 'General case' 0 C--N 1.301 -1.526 0 O-C-N 121.536 -0.728 . . . . 0.0 109.211 -179.652 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 74' ' ' MET . . . . . . . . . . . . . 94.2 mmm -67.77 -39.92 84.07 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.305 -0.872 . . . . 0.0 109.952 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -59.96 -44.85 94.17 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.132 -0.98 . . . . 0.0 109.699 -179.082 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 58.8 t80 -60.07 -48.52 81.36 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.157 -0.964 . . . . 0.0 109.259 179.83 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 77' ' ' VAL . . . . . . . . . . . . . 53.2 t -61.61 -44.71 99.1 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.491 0 O-C-N 121.293 -0.88 . . . . 0.0 109.104 179.928 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 78' ' ' SER . . . . . . . . . . . . . 22.8 t -60.36 -43.5 96.45 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.33 -0.856 . . . . 0.0 109.753 -179.827 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 79' ' ' MET . . . . . . . . . . . . . 63.3 ttp -60.05 -40.21 88.66 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.235 -0.916 . . . . 0.0 109.963 -179.567 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 76.7 t -69.04 -44.24 81.31 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.567 0 O-C-N 121.146 -0.971 . . . . 0.0 109.771 -179.577 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 81' ' ' THR . . . . . 0.515 ' O ' ' SG ' ' B' ' 84' ' ' CYS . 29.0 m -61.4 -41.05 96.52 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.1 -1.0 . . . . 0.0 109.486 -179.299 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 33.4 p -67.72 -39.74 84.29 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 121.043 -1.036 . . . . 0.0 109.354 179.828 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -73.16 -22.41 60.5 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.451 -0.781 . . . . 0.0 110.803 -179.338 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 84' ' ' CYS . . . . . 0.538 ' O ' ' SG ' ' B' ' 84' ' ' CYS . 14.3 p -44.17 115.91 0.92 Allowed 'General case' 0 N--CA 1.494 1.732 0 O-C-N 121.113 -0.992 . . . . 0.0 110.487 -178.904 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 85' ' ' HIS . . . . . . . . . . . . . 72.9 t60 -98.3 -41.92 7.63 Favored 'General case' 0 N--CA 1.498 1.927 0 O-C-N 120.924 -1.11 . . . . 0.0 109.433 179.819 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 86' ' ' GLU . . . . . 0.58 ' H ' ' CD ' ' B' ' 86' ' ' GLU . 0.8 OUTLIER -71.45 140.1 49.9 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 121.31 -0.869 . . . . 0.0 110.168 -179.542 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' B' B ' 87' ' ' PHE . . . . . . . . . . . . . 96.8 m-85 -112.56 142.05 45.59 Favored 'General case' 0 N--CA 1.5 2.055 0 O-C-N 121.451 -0.781 . . . . 0.0 110.18 -179.516 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 61.7 m-85 -95.7 117.77 31.13 Favored 'General case' 0 N--CA 1.496 1.872 0 O-C-N 121.241 -0.912 . . . . 0.0 108.955 179.113 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 68.1 tt0 -128.53 21.88 6.01 Favored 'General case' 0 N--CA 1.5 2.058 0 O-C-N 121.359 -0.838 . . . . 0.0 109.411 -179.78 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 90' ' ' HIS . . . . . . . . . . . . . 77.7 m-70 -59.95 -36.16 76.5 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 120.357 -1.465 . . . . 0.0 108.885 179.609 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 87.3 tt0 . . . . . 0 N--CA 1.491 1.591 0 CA-C-O 117.935 -1.031 . . . . 0.0 109.051 179.578 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 92' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 93' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 0' ' ' MET . . . . . 0.509 ' SD ' ' O ' ' A' ' 0' ' ' MET . 0.6 OUTLIER . . . . . 0 N--CA 1.491 1.581 0 CA-C-O 121.275 0.56 . . . . 0.0 109.511 . . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 42.8 t -72.45 121.22 19.22 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.046 -1.034 . . . . 0.0 109.427 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 99.7 mt-10 -70.01 -31.65 69.42 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.27 -0.894 . . . . 0.0 110.254 -179.818 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 9.1 tt -59.9 -49.32 78.17 Favored 'General case' 0 N--CA 1.494 1.725 0 O-C-N 121.114 -0.992 . . . . 0.0 110.587 -178.309 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 1.1 pp20? -61.18 -39.94 92.05 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 120.617 -1.302 . . . . 0.0 109.903 -179.466 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 86.8 tttt -66.33 -40.42 89.86 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 120.92 -1.113 . . . . 0.0 108.831 179.558 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -61.69 -40.38 94.78 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.623 -0.673 . . . . 0.0 110.104 -179.62 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 27.1 ttt -60.06 -40.0 87.94 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.182 -0.949 . . . . 0.0 109.448 -179.61 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 67.5 t -60.48 -39.77 82.21 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.572 0 O-C-N 121.462 -0.774 . . . . 0.0 109.597 179.712 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.89 -40.73 89.73 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.226 -0.921 . . . . 0.0 110.932 -178.179 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.4 ' N ' ' CD2' ' A' ' 10' ' ' LEU . 4.0 mm? -60.07 -49.98 75.51 Favored 'General case' 0 N--CA 1.495 1.784 0 O-C-N 120.68 -1.263 . . . . 0.0 109.758 -179.83 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 98.2 mt -60.16 -47.79 90.64 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.578 0 O-C-N 121.016 -1.053 . . . . 0.0 109.694 -179.647 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 10.3 t70 -61.83 -47.72 83.83 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.19 -0.944 . . . . 0.0 110.266 -179.481 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 54.2 t -67.42 -43.64 87.48 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.678 0 O-C-N 121.077 -1.015 . . . . 0.0 109.964 -179.27 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 64.3 t80 -60.0 -45.58 92.29 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.036 -1.04 . . . . 0.0 110.037 -179.443 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . 0.402 ' NE2' ' O ' ' B' ' 89' ' ' GLU . 4.1 t-80 -61.36 -40.06 92.9 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.249 -0.907 . . . . 0.0 110.627 -178.874 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 65.6 mt-30 -63.7 -58.47 6.79 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 120.942 -1.099 . . . . 0.0 110.601 -178.907 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 50.0 m-85 -64.7 -39.98 94.58 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.085 -1.009 . . . . 0.0 110.281 -179.506 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 57.6 p -66.06 -33.58 76.12 Favored 'General case' 0 C--N 1.297 -1.693 0 O-C-N 121.052 -1.03 . . . . 0.0 109.061 179.835 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -80.57 -15.33 78.29 Favored Glycine 0 N--CA 1.494 2.504 0 C-N-CA 120.121 -1.038 . . . . 0.0 110.541 -179.921 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 23.5 mmt180 -60.01 -40.03 87.86 Favored 'General case' 0 N--CA 1.496 1.874 0 O-C-N 120.883 -1.363 . . . . 0.0 110.557 -179.761 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 13.4 pt-20 -154.46 167.95 28.33 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 120.923 -1.111 . . . . 0.0 110.369 -179.1 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 100.92 175.81 29.3 Favored Glycine 0 N--CA 1.495 2.576 0 N-CA-C 108.867 -1.693 . . . . 0.0 108.867 -179.666 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 57.0 t0 -58.29 -58.06 10.17 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.023 -1.281 . . . . 0.0 109.01 -179.74 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 42.2 mtpt -153.47 -37.94 0.1 Allowed 'General case' 0 N--CA 1.493 1.718 0 O-C-N 121.315 -0.866 . . . . 0.0 110.014 178.789 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -159.8 75.4 0.62 Allowed 'General case' 0 N--CA 1.488 1.426 0 O-C-N 120.715 -1.24 . . . . 0.0 111.935 -178.677 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 57.9 pttt -144.36 158.67 43.62 Favored 'General case' 0 N--CA 1.498 1.956 0 O-C-N 121.107 -0.996 . . . . 0.0 108.406 177.712 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 89.3 mt -107.97 127.74 54.03 Favored 'General case' 0 N--CA 1.5 2.044 0 O-C-N 121.305 -0.872 . . . . 0.0 110.596 -178.796 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 54.6 tttp -105.23 165.54 11.04 Favored 'General case' 0 N--CA 1.496 1.826 0 N-CA-C 108.165 -1.05 . . . . 0.0 108.165 179.267 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 7.9 ttpm? -60.06 -43.33 95.47 Favored 'General case' 0 N--CA 1.495 1.797 0 O-C-N 120.836 -1.165 . . . . 0.0 110.571 -178.56 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' SER . . . . . 0.429 ' O ' ' OE1' ' A' ' 34' ' ' GLU . 88.6 p -60.59 -40.39 91.6 Favored 'General case' 0 N--CA 1.495 1.82 0 O-C-N 120.922 -1.111 . . . . 0.0 109.865 -179.742 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 86.4 tt0 -59.99 -37.64 80.25 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.394 -0.816 . . . . 0.0 109.996 -179.897 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 96.0 mt -60.0 -39.94 87.5 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.28 -0.888 . . . . 0.0 111.055 -178.242 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 7.3 ttpm? -60.06 -49.64 76.85 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 120.531 -1.355 . . . . 0.0 110.046 -178.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . 0.481 ' N ' ' OE1' ' A' ' 34' ' ' GLU . 21.7 mp0 -69.93 -40.27 75.62 Favored 'General case' 0 N--CA 1.495 1.803 0 O-C-N 120.945 -1.097 . . . . 0.0 110.11 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.455 ' O ' ' OD1' ' A' ' 38' ' ' ASN . 7.4 tt -61.72 -41.05 97.11 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.34 -0.85 . . . . 0.0 110.145 -179.628 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 86.4 mt -69.55 -39.98 79.08 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.57 0 O-C-N 121.033 -1.042 . . . . 0.0 110.658 -178.782 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 25.7 m-20 -60.06 -40.03 88.05 Favored 'General case' 0 N--CA 1.495 1.8 0 O-C-N 121.008 -1.057 . . . . 0.0 112.191 -178.158 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . 0.455 ' OD1' ' O ' ' A' ' 35' ' ' LEU . 7.6 p-10 -71.22 -40.07 71.33 Favored 'General case' 0 N--CA 1.496 1.847 0 O-C-N 120.447 -1.408 . . . . 0.0 111.878 -178.126 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -91.91 -79.69 0.37 Allowed 'General case' 0 N--CA 1.505 2.286 0 O-C-N 120.599 -1.313 . . . . 0.0 110.924 -178.899 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 11.1 mp -72.53 138.58 47.03 Favored 'General case' 0 N--CA 1.496 1.87 0 O-C-N 120.969 -1.082 . . . . 0.0 110.466 -178.515 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 24.6 p -148.2 -54.16 0.2 Allowed 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.579 -0.701 . . . . 0.0 109.535 179.564 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 39.3 m80 -90.62 -12.88 35.6 Favored 'General case' 0 N--CA 1.497 1.909 0 O-C-N 121.109 -0.995 . . . . 0.0 110.445 -179.734 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 59.3 m-85 -59.96 -40.01 87.61 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 120.751 -1.218 . . . . 0.0 108.886 -179.556 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.572 ' N ' ' CD1' ' A' ' 44' ' ' LEU . 0.0 OUTLIER -108.17 163.95 12.73 Favored 'General case' 0 N--CA 1.5 2.046 0 N-CA-C 107.452 -1.314 . . . . 0.0 107.452 177.764 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . 0.484 ' OE1' ' N ' ' A' ' 45' ' ' GLU . 56.5 mp0 -55.22 -61.83 2.07 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 120.447 -1.408 . . . . 0.0 109.466 -178.496 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 81.4 tt0 -179.31 142.7 0.19 Allowed 'General case' 0 N--CA 1.496 1.836 0 N-CA-C 109.088 -0.708 . . . . 0.0 109.088 179.235 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 42.2 mm -84.54 120.09 34.61 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.769 0 O-C-N 121.101 -0.999 . . . . 0.0 108.84 179.562 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 31.1 tttm -161.53 -23.22 0.05 Allowed 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.12 -0.988 . . . . 0.0 109.919 179.763 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . 0.526 ' N ' ' OE1' ' A' ' 49' ' ' GLU . 56.6 mp0 -101.83 139.98 36.74 Favored 'General case' 0 N--CA 1.497 1.903 0 O-C-N 121.25 -0.906 . . . . 0.0 109.255 179.852 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 26.5 mm100 -68.64 -33.6 74.29 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.413 -0.805 . . . . 0.0 109.568 -179.828 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . 0.41 ' OE1' ' N ' ' A' ' 51' ' ' GLU . 59.4 mp0 -60.03 -39.92 87.57 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.31 -0.869 . . . . 0.0 110.335 -179.145 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 71.7 t -60.04 -40.68 83.9 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.616 0 O-C-N 121.085 -1.009 . . . . 0.0 109.634 -178.872 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 54.6 t -69.78 -41.9 79.97 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.505 0 O-C-N 121.109 -0.994 . . . . 0.0 109.546 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 55.5 t0 -59.92 -44.46 94.29 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.289 -0.882 . . . . 0.0 109.637 -179.66 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 63.0 tttp -60.01 -47.49 85.63 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.438 -0.789 . . . . 0.0 110.229 -179.468 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 56.1 t -68.31 -40.52 82.63 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.617 0 O-C-N 121.169 -0.957 . . . . 0.0 109.578 -179.354 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' MET . . . . . 0.458 ' SD ' ' O ' ' A' ' 57' ' ' MET . 0.0 OUTLIER -66.74 -45.06 79.83 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.368 -0.832 . . . . 0.0 110.007 -179.277 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 7.0 tm-20 -66.77 -45.18 79.35 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.317 -0.864 . . . . 0.0 110.788 -179.04 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 94.2 m -65.62 -40.01 92.13 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.043 -1.036 . . . . 0.0 110.215 -179.123 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 4.5 tt -64.35 -47.74 78.18 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.175 -0.953 . . . . 0.0 109.46 -179.534 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . 0.529 ' OD2' ' N ' ' A' ' 65' ' ' ASP . 32.1 t0 -76.88 95.79 4.17 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.023 -1.048 . . . . 0.0 109.005 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 90.6 mt-10 -68.73 -39.99 80.11 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.336 -0.853 . . . . 0.0 110.366 -179.112 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . 0.451 ' OD2' ' OD2' ' A' ' 65' ' ' ASP . 31.6 p30 -93.48 1.17 56.89 Favored 'General case' 0 N--CA 1.494 1.768 0 O-C-N 121.106 -0.996 . . . . 0.0 110.25 -179.379 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 61.3 45.77 95.8 Favored Glycine 0 N--CA 1.492 2.387 0 N-CA-C 109.971 -1.252 . . . . 0.0 109.971 179.385 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . 0.529 ' N ' ' OD2' ' A' ' 61' ' ' ASP . 95.2 m-20 -69.82 -18.82 63.48 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.109 -1.23 . . . . 0.0 109.34 179.776 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 88.01 -9.92 72.71 Favored Glycine 0 N--CA 1.491 2.32 0 N-CA-C 108.421 -1.872 . . . . 0.0 108.421 -179.544 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 13.7 pt-20 -144.52 154.26 42.71 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.63 -0.923 . . . . 0.0 109.324 -179.809 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -112.57 129.35 56.4 Favored 'General case' 0 N--CA 1.502 2.148 0 N-CA-C 108.886 -0.783 . . . . 0.0 108.886 179.794 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . 0.517 ' CG ' ' H ' ' A' ' 70' ' ' PHE . 16.3 t70 -90.8 -177.77 5.06 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.296 -0.877 . . . . 0.0 110.056 -179.723 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' PHE . . . . . 0.517 ' H ' ' CG ' ' A' ' 69' ' ' ASP . 27.3 t80 -60.0 -41.37 91.96 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.369 -0.832 . . . . 0.0 109.386 -179.702 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 67.9 tp60 -59.91 -43.24 94.97 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.227 -0.92 . . . . 0.0 109.328 -179.728 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 79.3 mt-10 -69.99 -29.73 66.9 Favored 'General case' 0 C--N 1.303 -1.422 0 O-C-N 121.256 -0.903 . . . . 0.0 109.506 179.896 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 77.2 t80 -59.98 -43.69 94.96 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 120.781 -1.199 . . . . 0.0 109.142 179.225 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 97.3 mmm -60.33 -36.28 77.58 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.262 -0.898 . . . . 0.0 108.909 179.26 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -60.04 -36.39 77.19 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.251 -0.906 . . . . 0.0 109.872 -179.813 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -58.59 -50.92 72.06 Favored 'General case' 0 N--CA 1.491 1.621 0 N-CA-C 108.178 -1.045 . . . . 0.0 108.178 -179.817 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 60.9 t -66.58 -42.61 90.2 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.574 0 O-C-N 121.312 -0.868 . . . . 0.0 110.416 -179.572 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 60.6 p -60.83 -46.19 91.5 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.089 -1.007 . . . . 0.0 110.613 -178.882 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 8.9 ttm -60.21 -49.99 75.43 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 120.984 -1.072 . . . . 0.0 109.99 -179.783 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 79.6 t -67.68 -39.77 82.76 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.49 0 O-C-N 121.573 -0.704 . . . . 0.0 109.801 -179.323 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' THR . . . . . 0.5 ' O ' ' SG ' ' A' ' 84' ' ' CYS . 94.4 m -60.13 -40.3 89.28 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.069 -1.02 . . . . 0.0 110.111 -178.363 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 25.5 p -69.72 -38.79 77.03 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 120.869 -1.144 . . . . 0.0 109.286 179.65 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -79.29 -10.65 59.86 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.39 -0.819 . . . . 0.0 109.948 -179.829 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' CYS . . . . . 0.502 ' O ' ' SG ' ' A' ' 84' ' ' CYS . 12.0 p -55.21 125.97 22.88 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.04 -1.037 . . . . 0.0 109.524 -179.558 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' HIS . . . . . 0.454 ' O ' ' CE1' ' A' ' 87' ' ' PHE . 0.6 OUTLIER -106.87 19.86 19.86 Favored 'General case' 0 N--CA 1.498 1.97 0 O-C-N 121.519 -0.738 . . . . 0.0 109.674 -179.802 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 63.7 mm-40 -56.8 134.5 55.18 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.073 -1.017 . . . . 0.0 109.766 -179.386 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' PHE . . . . . 0.454 ' CE1' ' O ' ' A' ' 85' ' ' HIS . 1.9 m-85 -100.9 108.37 20.12 Favored 'General case' 0 N--CA 1.496 1.855 0 O-C-N 121.408 -0.808 . . . . 0.0 109.596 -179.853 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 23.2 m-85 -109.97 -89.93 0.48 Allowed 'General case' 0 N--CA 1.498 1.958 0 N-CA-C 108.152 -1.055 . . . . 0.0 108.152 179.036 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 67.8 mm-40 -95.76 103.84 15.74 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.121 -0.987 . . . . 0.0 109.18 179.633 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' HIS . . . . . 0.499 ' H ' ' ND1' ' A' ' 90' ' ' HIS . 16.5 p-80 -70.56 -20.2 62.81 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.386 -0.821 . . . . 0.0 109.605 179.821 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 . . . . . 0 N--CA 1.496 1.832 0 CA-C-O 117.993 -1.003 . . . . 0.0 109.645 -179.878 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 0' ' ' MET . . . . . 0.506 ' O ' ' SD ' ' B' ' 0' ' ' MET . 0.6 OUTLIER . . . . . 0 N--CA 1.488 1.47 0 CA-C-O 121.2 0.524 . . . . 0.0 109.595 . . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 45.2 t -72.57 121.23 19.35 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.006 -1.059 . . . . 0.0 109.261 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 99.6 mt-10 -70.0 -31.85 69.73 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.302 -0.874 . . . . 0.0 110.225 -179.846 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 9.3 tt -59.96 -49.36 77.98 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.208 -0.932 . . . . 0.0 110.584 -178.252 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 1.1 pp20? -61.09 -40.0 92.06 Favored 'General case' 0 N--CA 1.494 1.755 0 O-C-N 120.647 -1.283 . . . . 0.0 109.871 -179.408 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 87.2 tttt -66.3 -40.34 89.93 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 120.978 -1.077 . . . . 0.0 108.963 179.639 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -61.69 -40.7 95.92 Favored 'General case' 0 N--CA 1.488 1.438 0 O-C-N 121.515 -0.74 . . . . 0.0 110.114 -179.637 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 7' ' ' MET . . . . . . . . . . . . . 27.9 ttt -60.01 -39.99 87.71 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.239 -0.913 . . . . 0.0 109.502 -179.54 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 64.6 t -60.23 -39.89 82.05 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.583 0 O-C-N 121.361 -0.837 . . . . 0.0 109.594 179.459 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.59 -40.88 88.92 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.248 -0.908 . . . . 0.0 111.007 -178.227 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 10' ' ' LEU . . . . . 0.403 ' N ' ' CD2' ' B' ' 10' ' ' LEU . 4.1 mm? -60.04 -50.0 75.44 Favored 'General case' 0 N--CA 1.495 1.813 0 O-C-N 120.676 -1.265 . . . . 0.0 109.714 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 96.8 mt -60.12 -47.94 89.99 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.533 0 O-C-N 120.97 -1.081 . . . . 0.0 109.782 -179.647 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 10.6 t70 -61.5 -48.34 81.51 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.182 -0.949 . . . . 0.0 110.178 -179.643 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 54.6 t -66.87 -43.77 89.33 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.65 0 O-C-N 120.957 -1.089 . . . . 0.0 110.038 -179.356 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 14' ' ' PHE . . . . . . . . . . . . . 65.0 t80 -59.98 -45.68 91.91 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.048 -1.032 . . . . 0.0 110.033 -179.343 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 3.9 t-80 -61.19 -39.93 92.02 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.203 -0.936 . . . . 0.0 110.722 -178.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 65.9 mt-30 -63.87 -58.9 5.37 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 120.917 -1.114 . . . . 0.0 110.576 -178.908 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 49.6 m-85 -64.24 -40.0 95.12 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.02 -1.05 . . . . 0.0 110.263 -179.603 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 18' ' ' SER . . . . . 0.527 ' HG ' ' N ' ' B' ' 19' ' ' GLY . 60.7 p -65.67 -34.15 77.55 Favored 'General case' 0 C--N 1.298 -1.64 0 O-C-N 121.021 -1.049 . . . . 0.0 109.138 179.845 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 19' ' ' GLY . . . . . 0.527 ' N ' ' HG ' ' B' ' 18' ' ' SER . . . -80.7 -14.82 79.16 Favored Glycine 0 N--CA 1.494 2.508 0 C-N-CA 120.096 -1.049 . . . . 0.0 110.535 -179.75 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 23.5 mmt180 -60.08 -39.9 87.7 Favored 'General case' 0 N--CA 1.497 1.888 0 O-C-N 120.836 -1.39 . . . . 0.0 110.486 -179.827 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 13.9 pt-20 -154.35 168.17 27.53 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 120.991 -1.068 . . . . 0.0 110.172 -179.168 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . 101.18 176.19 28.98 Favored Glycine 0 N--CA 1.496 2.677 0 N-CA-C 108.862 -1.695 . . . . 0.0 108.862 -179.683 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 58.0 t0 -59.68 -56.36 22.78 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 120.995 -1.297 . . . . 0.0 108.989 -179.62 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 41.7 mtpt -154.24 -38.82 0.09 Allowed 'General case' 0 N--CA 1.494 1.766 0 O-C-N 121.199 -0.938 . . . . 0.0 110.019 178.734 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 25' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -159.41 75.65 0.66 Allowed 'General case' 0 N--CA 1.489 1.49 0 O-C-N 120.671 -1.268 . . . . 0.0 111.811 -178.744 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 56.6 pttt -144.62 158.81 43.61 Favored 'General case' 0 N--CA 1.497 1.921 0 O-C-N 121.096 -1.003 . . . . 0.0 108.423 177.737 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 89.0 mt -108.38 128.11 54.47 Favored 'General case' 0 N--CA 1.501 2.085 0 O-C-N 121.271 -0.893 . . . . 0.0 110.372 -178.516 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 55.7 tttp -105.45 165.45 11.13 Favored 'General case' 0 N--CA 1.494 1.73 0 N-CA-C 108.201 -1.037 . . . . 0.0 108.201 179.234 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 8.0 ttpm? -60.02 -43.16 95.46 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 120.79 -1.194 . . . . 0.0 110.551 -178.588 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 30' ' ' SER . . . . . 0.427 ' O ' ' OE1' ' B' ' 34' ' ' GLU . 94.7 p -60.61 -40.3 91.36 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 120.895 -1.128 . . . . 0.0 109.922 -179.576 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 85.5 tt0 -60.09 -37.74 80.83 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.383 -0.823 . . . . 0.0 110.072 179.893 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 96.0 mt -60.01 -40.05 87.89 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.196 -0.94 . . . . 0.0 111.017 -178.222 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 7.7 ttpm? -59.97 -49.58 77.13 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 120.415 -1.428 . . . . 0.0 110.116 -178.911 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 34' ' ' GLU . . . . . 0.488 ' OE1' ' N ' ' B' ' 34' ' ' GLU . 22.7 mp0 -69.86 -40.0 76.04 Favored 'General case' 0 N--CA 1.496 1.838 0 O-C-N 120.931 -1.106 . . . . 0.0 110.121 179.774 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 35' ' ' LEU . . . . . 0.462 ' O ' ' OD1' ' B' ' 38' ' ' ASN . 7.7 tt -62.15 -40.75 97.03 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.3 -0.875 . . . . 0.0 110.05 -179.41 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 89.1 mt -69.55 -39.96 79.04 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.597 0 O-C-N 121.156 -0.965 . . . . 0.0 110.722 -178.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 28.0 m-20 -60.03 -39.98 87.75 Favored 'General case' 0 N--CA 1.495 1.776 0 O-C-N 121.109 -0.994 . . . . 0.0 112.306 -178.194 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 38' ' ' ASN . . . . . 0.462 ' OD1' ' O ' ' B' ' 35' ' ' LEU . 7.5 p-10 -71.23 -40.02 71.34 Favored 'General case' 0 N--CA 1.495 1.785 0 O-C-N 120.449 -1.407 . . . . 0.0 111.942 -178.086 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -91.79 -79.75 0.37 Allowed 'General case' 0 N--CA 1.504 2.249 0 O-C-N 120.555 -1.341 . . . . 0.0 110.906 -178.92 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 11.1 mp -72.69 138.5 46.65 Favored 'General case' 0 N--CA 1.497 1.905 0 O-C-N 120.897 -1.127 . . . . 0.0 110.645 -178.494 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 40.5 p -147.99 -53.63 0.2 Allowed 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.61 -0.682 . . . . 0.0 109.524 179.479 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 42' ' ' HIS . . . . . . . . . . . . . 38.0 m80 -91.0 -12.82 34.68 Favored 'General case' 0 N--CA 1.498 1.933 0 O-C-N 121.125 -0.985 . . . . 0.0 110.296 -179.622 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 57.9 m-85 -60.01 -39.94 87.54 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 120.782 -1.199 . . . . 0.0 108.881 -179.613 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 44' ' ' LEU . . . . . 0.579 ' CD1' ' N ' ' B' ' 44' ' ' LEU . 0.0 OUTLIER -108.72 163.44 13.26 Favored 'General case' 0 N--CA 1.499 2.013 0 N-CA-C 107.397 -1.335 . . . . 0.0 107.397 177.909 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' B' B ' 45' ' ' GLU . . . . . 0.491 ' OE1' ' N ' ' B' ' 45' ' ' GLU . 56.6 mp0 -54.57 -62.21 1.8 Allowed 'General case' 0 N--CA 1.491 1.594 0 O-C-N 120.579 -1.326 . . . . 0.0 109.468 -178.358 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 81.1 tt0 -179.09 142.77 0.2 Allowed 'General case' 0 N--CA 1.497 1.888 0 N-CA-C 109.042 -0.725 . . . . 0.0 109.042 179.22 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 39.9 mm -84.67 120.25 34.96 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.767 0 O-C-N 120.909 -1.119 . . . . 0.0 108.806 179.519 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 32.0 tttm -161.22 -23.45 0.05 Allowed 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.09 -1.006 . . . . 0.0 109.995 179.812 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 49' ' ' GLU . . . . . 0.511 ' OE1' ' N ' ' B' ' 49' ' ' GLU . 57.7 mp0 -101.93 139.97 36.85 Favored 'General case' 0 N--CA 1.496 1.871 0 O-C-N 121.17 -0.956 . . . . 0.0 109.324 179.884 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 26.3 mm100 -68.37 -33.57 74.5 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.425 -0.797 . . . . 0.0 109.593 -179.867 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 59.7 mp0 -60.03 -39.97 87.73 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.348 -0.845 . . . . 0.0 110.249 -179.044 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 74.5 t -59.99 -40.58 83.48 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.626 0 O-C-N 121.062 -1.024 . . . . 0.0 109.725 -178.825 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 54.5 t -69.96 -41.44 79.42 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.601 0 O-C-N 121.128 -0.983 . . . . 0.0 109.589 179.823 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 56.8 t0 -60.21 -44.48 95.12 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.175 -0.953 . . . . 0.0 109.489 -179.6 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 62.7 tttp -60.12 -47.89 84.02 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.326 -0.858 . . . . 0.0 110.204 -179.534 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 54.6 t -67.66 -41.08 85.14 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.581 0 O-C-N 121.185 -0.947 . . . . 0.0 109.61 -179.211 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 57' ' ' MET . . . . . 0.464 ' O ' ' SD ' ' B' ' 57' ' ' MET . 0.0 OUTLIER -66.29 -45.07 81.69 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.411 -0.806 . . . . 0.0 110.09 -179.261 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 7.4 tm-20 -67.44 -44.4 78.78 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.344 -0.847 . . . . 0.0 110.81 -178.904 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 94.0 m -65.76 -40.06 91.68 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.037 -1.039 . . . . 0.0 110.129 -179.228 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 4.1 tt -64.23 -48.01 77.48 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.22 -0.925 . . . . 0.0 109.484 -179.662 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 61' ' ' ASP . . . . . 0.523 ' OD2' ' N ' ' B' ' 65' ' ' ASP . 31.4 t0 -76.51 95.62 3.92 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.07 -1.019 . . . . 0.0 109.036 -179.929 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 88.1 mt-10 -68.55 -39.98 80.87 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.361 -0.837 . . . . 0.0 110.462 -179.274 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 63' ' ' ASP . . . . . 0.455 ' OD2' ' OD2' ' B' ' 65' ' ' ASP . 29.7 p30 -93.6 1.48 56.66 Favored 'General case' 0 N--CA 1.498 1.947 0 O-C-N 121.156 -0.965 . . . . 0.0 110.146 -179.374 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 61.03 45.78 95.9 Favored Glycine 0 N--CA 1.491 2.347 0 N-CA-C 110.055 -1.218 . . . . 0.0 110.055 179.478 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 65' ' ' ASP . . . . . 0.523 ' N ' ' OD2' ' B' ' 61' ' ' ASP . 95.4 m-20 -69.64 -19.04 63.63 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.127 -1.22 . . . . 0.0 109.456 179.735 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 87.94 -9.8 73.0 Favored Glycine 0 N--CA 1.491 2.329 0 N-CA-C 108.447 -1.861 . . . . 0.0 108.447 -179.439 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 13.6 pt-20 -144.65 154.29 42.64 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.655 -0.909 . . . . 0.0 109.306 -179.752 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 68' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -112.97 129.45 56.48 Favored 'General case' 0 N--CA 1.502 2.13 0 N-CA-C 108.948 -0.76 . . . . 0.0 108.948 179.91 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 69' ' ' ASP . . . . . 0.515 ' CG ' ' H ' ' B' ' 70' ' ' PHE . 16.3 t70 -90.52 -177.71 5.12 Favored 'General case' 0 N--CA 1.494 1.743 0 O-C-N 121.436 -0.79 . . . . 0.0 110.007 -179.67 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 70' ' ' PHE . . . . . 0.515 ' H ' ' CG ' ' B' ' 69' ' ' ASP . 28.6 t80 -60.0 -41.31 91.83 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.497 -0.752 . . . . 0.0 109.419 -179.859 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 66.2 tp60 -60.02 -43.41 95.27 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.311 -0.868 . . . . 0.0 109.368 -179.793 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 79.8 mt-10 -69.45 -29.97 67.78 Favored 'General case' 0 C--N 1.303 -1.44 0 O-C-N 121.19 -0.944 . . . . 0.0 109.611 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 73' ' ' PHE . . . . . . . . . . . . . 76.2 t80 -60.11 -43.79 95.33 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.002 -1.061 . . . . 0.0 109.136 179.411 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 74' ' ' MET . . . . . . . . . . . . . 97.6 mmm -60.13 -35.54 75.5 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.333 -0.854 . . . . 0.0 108.746 179.159 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -60.08 -37.76 80.86 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.515 -0.74 . . . . 0.0 109.73 -179.83 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -57.89 -51.09 71.04 Favored 'General case' 0 N--CA 1.493 1.715 0 N-CA-C 108.356 -0.979 . . . . 0.0 108.356 -179.792 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 77' ' ' VAL . . . . . . . . . . . . . 60.0 t -66.47 -42.48 90.32 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.529 0 O-C-N 121.379 -0.826 . . . . 0.0 110.367 -179.474 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 78' ' ' SER . . . . . . . . . . . . . 59.7 p -60.59 -46.73 89.13 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.157 -0.964 . . . . 0.0 110.6 -178.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 79' ' ' MET . . . . . . . . . . . . . 9.7 ttm -60.0 -50.05 75.25 Favored 'General case' 0 N--CA 1.494 1.745 0 O-C-N 121.026 -1.046 . . . . 0.0 109.963 -179.596 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 64.0 t -67.83 -39.85 82.6 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.482 0 O-C-N 121.474 -0.766 . . . . 0.0 109.89 -179.093 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 81' ' ' THR . . . . . 0.496 ' O ' ' SG ' ' B' ' 84' ' ' CYS . 87.7 m -59.97 -40.18 88.17 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.226 -0.921 . . . . 0.0 110.127 -178.385 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 29.3 p -69.98 -38.27 75.98 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 120.952 -1.092 . . . . 0.0 109.369 179.607 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -79.47 -11.09 59.91 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.318 -0.864 . . . . 0.0 109.786 -179.874 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 84' ' ' CYS . . . . . 0.5 ' O ' ' SG ' ' B' ' 84' ' ' CYS . 11.4 p -54.88 126.13 23.08 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.169 -0.957 . . . . 0.0 109.758 -179.645 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 85' ' ' HIS . . . . . 0.481 ' O ' ' CE1' ' B' ' 87' ' ' PHE . 0.6 OUTLIER -107.3 19.98 19.58 Favored 'General case' 0 N--CA 1.499 1.995 0 O-C-N 121.499 -0.75 . . . . 0.0 109.588 -179.719 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 63.7 mm-40 -56.86 134.43 55.29 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.189 -0.944 . . . . 0.0 109.549 -179.437 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 87' ' ' PHE . . . . . 0.481 ' CE1' ' O ' ' B' ' 85' ' ' HIS . 2.0 m-85 -100.78 108.56 20.41 Favored 'General case' 0 N--CA 1.494 1.764 0 O-C-N 121.493 -0.755 . . . . 0.0 109.613 -179.841 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 22.8 m-85 -110.09 -90.02 0.48 Allowed 'General case' 0 N--CA 1.498 1.972 0 N-CA-C 108.205 -1.035 . . . . 0.0 108.205 179.099 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 89' ' ' GLU . . . . . 0.402 ' O ' ' NE2' ' A' ' 15' ' ' HIS . 67.6 mm-40 -95.69 103.56 15.44 Favored 'General case' 0 N--CA 1.494 1.751 0 O-C-N 121.177 -0.952 . . . . 0.0 109.126 179.686 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 90' ' ' HIS . . . . . 0.525 ' H ' ' ND1' ' B' ' 90' ' ' HIS . 12.7 p-80 -70.04 -19.92 63.28 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.358 -0.839 . . . . 0.0 109.316 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 . . . . . 0 N--CA 1.497 1.882 0 CA-C-O 117.946 -1.026 . . . . 0.0 109.598 -179.464 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 92' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 93' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 21.0 ptt? . . . . . 0 N--CA 1.49 1.54 0 CA-C-O 121.391 0.615 . . . . 0.0 109.388 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 28.2 t -83.74 169.74 14.91 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.238 -0.914 . . . . 0.0 109.585 -179.911 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 63.4 mm-40 -59.94 -36.59 77.38 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.487 -0.758 . . . . 0.0 109.319 179.874 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -59.24 -48.28 82.22 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.337 -0.852 . . . . 0.0 109.298 -179.334 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . 0.483 ' OE1' ' CE1' ' B' ' 43' ' ' PHE . 43.0 mm-40 -60.84 -42.15 97.22 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 120.894 -1.129 . . . . 0.0 109.593 -179.938 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 54.3 mttp -68.76 -38.4 80.07 Favored 'General case' 0 N--CA 1.495 1.797 0 O-C-N 121.425 -0.797 . . . . 0.0 110.622 -179.903 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -59.23 -39.93 84.31 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.086 -1.009 . . . . 0.0 109.359 -179.022 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 36.3 tpp -60.04 -44.49 94.63 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.218 -0.927 . . . . 0.0 108.886 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 76.7 t -69.94 -40.01 78.19 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.716 0 O-C-N 121.301 -0.874 . . . . 0.0 110.06 179.709 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -47.55 -50.84 22.76 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.277 -0.889 . . . . 0.0 110.632 -178.265 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 10.0 mp -60.08 -43.12 95.72 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 120.816 -1.178 . . . . 0.0 109.94 -179.45 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 96.7 mt -69.99 -40.04 78.13 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.66 0 O-C-N 121.21 -0.932 . . . . 0.0 111.002 -179.082 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 37.2 t0 -65.23 -49.95 67.71 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.111 -0.993 . . . . 0.0 110.651 -178.698 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 53.9 t -67.2 -46.99 82.94 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.563 0 O-C-N 121.113 -0.992 . . . . 0.0 110.161 -178.933 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 62.5 t80 -60.05 -49.53 77.29 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.121 -0.987 . . . . 0.0 110.321 -179.203 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 86.3 t60 -60.0 -47.57 85.3 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.191 -0.943 . . . . 0.0 110.968 -178.902 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 45.9 mt-30 -64.99 -53.9 38.88 Favored 'General case' 0 C--N 1.3 -1.571 0 O-C-N 121.172 -0.955 . . . . 0.0 111.408 -178.496 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 63.4 t80 -69.74 -40.93 75.87 Favored 'General case' 0 N--CA 1.495 1.78 0 O-C-N 120.995 -1.066 . . . . 0.0 111.239 -178.422 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 23.3 t -64.3 -40.17 95.4 Favored 'General case' 0 N--CA 1.494 1.736 0 O-C-N 121.123 -0.986 . . . . 0.0 111.408 -178.487 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -69.6 -14.7 70.05 Favored Glycine 0 N--CA 1.495 2.611 0 C-N-CA 119.856 -1.164 . . . . 0.0 110.999 -178.287 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 19.7 mmt180 -63.1 -40.02 96.4 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 120.917 -1.343 . . . . 0.0 109.971 -179.709 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 77.6 mm-40 -113.56 129.81 56.48 Favored 'General case' 0 N--CA 1.5 2.039 0 O-C-N 121.456 -0.777 . . . . 0.0 109.763 -179.428 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 84.22 -13.54 49.76 Favored Glycine 0 N--CA 1.495 2.6 0 N-CA-C 110.007 -1.237 . . . . 0.0 110.007 179.518 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 45.3 t0 50.07 40.01 20.49 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.215 -1.168 . . . . 0.0 109.612 -179.917 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 28.5 ttmt -160.11 -125.49 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.092 -1.005 . . . . 0.0 108.893 179.681 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 97.6 m-70 -146.38 75.86 1.42 Allowed 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.029 -1.044 . . . . 0.0 109.358 179.815 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -145.78 147.5 31.94 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.41 -0.806 . . . . 0.0 109.399 179.568 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 41.3 mt -128.95 126.93 40.7 Favored 'General case' 0 N--CA 1.496 1.84 0 N-CA-C 108.503 -0.925 . . . . 0.0 108.503 179.627 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.42 ' NZ ' ' CB ' ' A' ' 28' ' ' LYS . 0.1 OUTLIER -100.77 -176.62 3.23 Favored 'General case' 0 N--CA 1.498 1.928 0 O-C-N 121.335 -0.853 . . . . 0.0 109.11 179.722 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 1.6 mppt? -60.06 -49.52 77.34 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.195 -0.94 . . . . 0.0 110.608 -178.828 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 62.7 m -63.03 -43.2 99.36 Favored 'General case' 0 N--CA 1.495 1.781 0 O-C-N 121.136 -0.977 . . . . 0.0 110.864 -179.047 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 84.7 tt0 -64.64 -39.96 94.63 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.299 -0.876 . . . . 0.0 110.532 -179.025 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 55.5 tp -59.97 -49.38 77.92 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.187 -0.946 . . . . 0.0 109.327 -178.738 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 9.6 mtpm? -60.73 -40.17 91.37 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.093 -1.004 . . . . 0.0 109.833 179.911 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 72.7 mm-40 -65.73 -39.98 91.7 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.311 -0.868 . . . . 0.0 110.074 -179.722 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 3.1 tt -60.67 -46.13 91.51 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.173 -0.955 . . . . 0.0 109.061 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 89.1 mt -60.02 -42.47 89.78 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.653 0 O-C-N 121.195 -0.941 . . . . 0.0 109.805 -179.754 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 82.5 m-20 -72.04 -15.73 62.04 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.344 -0.847 . . . . 0.0 110.239 -179.514 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . 0.429 ' OD1' ' OE1' ' A' ' 39' ' ' GLU . 41.4 t-20 -59.89 -50.11 75.05 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.093 -1.004 . . . . 0.0 110.677 -178.259 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . 0.429 ' OE1' ' OD1' ' A' ' 38' ' ' ASN . 0.6 OUTLIER -154.58 -14.85 0.12 Allowed 'General case' 0 N--CA 1.501 2.078 0 O-C-N 120.542 -1.349 . . . . 0.0 110.21 179.099 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 11.1 mp -85.47 7.86 21.21 Favored 'General case' 0 N--CA 1.495 1.78 0 O-C-N 120.887 -1.133 . . . . 0.0 109.049 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 38.9 p -59.99 -39.94 87.46 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.291 -0.88 . . . . 0.0 109.53 179.905 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 46.7 t-80 -63.49 -42.14 98.55 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.227 -0.921 . . . . 0.0 110.085 -179.553 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . 0.502 ' CE1' ' OE1' ' B' ' 4' ' ' GLU . 4.4 m-85 -69.26 -46.89 66.17 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.161 -0.962 . . . . 0.0 110.245 -179.516 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 66.2 mt -116.63 130.06 56.52 Favored 'General case' 0 N--CA 1.499 1.993 0 O-C-N 121.488 -0.758 . . . . 0.0 109.68 -179.217 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . 0.4 ' O ' ' CD ' ' A' ' 45' ' ' GLU . 11.4 tm-20 -150.91 10.55 0.62 Allowed 'General case' 0 N--CA 1.491 1.607 0 N-CA-C 108.777 -0.823 . . . . 0.0 108.777 -179.812 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -78.25 -10.03 59.48 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.084 -1.01 . . . . 0.0 109.526 -179.887 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . 0.433 HG22 HD11 ' A' ' 47' ' ' ILE . 94.5 mt -73.85 127.6 35.78 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.393 0 C-N-CA 119.482 -0.887 . . . . 0.0 109.466 -179.728 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 41.2 tttp -136.35 -53.49 0.73 Allowed 'General case' 0 N--CA 1.494 1.764 0 O-C-N 121.547 -0.721 . . . . 0.0 109.194 -179.813 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 27.1 mp0 -93.29 148.52 21.97 Favored 'General case' 0 N--CA 1.497 1.924 0 O-C-N 121.066 -1.021 . . . . 0.0 109.619 179.423 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 3.1 mp0 -60.0 -32.01 70.46 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.373 -0.83 . . . . 0.0 109.641 -179.933 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -59.82 -37.46 79.26 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.336 -0.853 . . . . 0.0 109.505 -179.223 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 53.5 t -59.98 -40.32 82.72 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.515 0 O-C-N 121.156 -0.965 . . . . 0.0 109.186 -179.629 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 54.4 t -64.97 -41.22 91.54 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.606 0 O-C-N 121.024 -1.048 . . . . 0.0 109.226 179.277 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 8.4 t70 -60.41 -43.25 96.89 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.224 -0.923 . . . . 0.0 109.529 179.901 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 32.9 ttmt -59.95 -43.5 94.97 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.456 -0.778 . . . . 0.0 109.949 -179.757 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 53.8 t -66.01 -40.16 86.53 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.499 0 O-C-N 121.228 -0.92 . . . . 0.0 109.649 -179.419 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 3.7 ttt -63.6 -44.92 92.58 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.154 -0.966 . . . . 0.0 110.333 -179.675 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 38.4 mm-40 -61.81 -40.22 94.47 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 120.946 -1.096 . . . . 0.0 109.638 -179.835 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 94.4 m -70.07 -43.33 71.4 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.396 -0.815 . . . . 0.0 109.72 179.612 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 34.3 tp -62.52 -46.91 86.25 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.45 -0.781 . . . . 0.0 110.563 -179.391 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 95.8 m-20 -80.22 111.32 16.48 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.079 -1.013 . . . . 0.0 109.522 -179.297 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 26.0 mp0 -70.0 -39.79 75.68 Favored 'General case' 0 C--N 1.303 -1.445 0 O-C-N 121.565 -0.71 . . . . 0.0 109.902 -179.788 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . 0.402 ' OD1' ' N ' ' A' ' 63' ' ' ASP . 36.7 p-10 -86.99 -6.77 58.65 Favored 'General case' 0 N--CA 1.495 1.822 0 O-C-N 121.183 -0.948 . . . . 0.0 110.351 -179.306 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 56.89 43.15 92.66 Favored Glycine 0 N--CA 1.49 2.297 0 N-CA-C 109.797 -1.321 . . . . 0.0 109.797 179.619 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 33.3 p-10 -68.44 -20.33 64.63 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 120.962 -1.316 . . . . 0.0 109.385 -179.792 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 102.34 -11.84 56.91 Favored Glycine 0 N--CA 1.499 2.889 0 N-CA-C 110.422 -1.071 . . . . 0.0 110.422 179.391 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 20.8 pt-20 -141.44 155.44 45.86 Favored 'General case' 0 N--CA 1.497 1.891 0 O-C-N 120.979 -1.306 . . . . 0.0 109.358 179.715 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 98.1 m -102.15 123.85 46.72 Favored 'General case' 0 N--CA 1.499 2.007 0 O-C-N 121.322 -0.861 . . . . 0.0 109.942 -179.458 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 71.9 m-20 -96.68 175.82 6.24 Favored 'General case' 0 N--CA 1.496 1.837 0 O-C-N 121.476 -0.765 . . . . 0.0 109.663 -179.855 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 73.8 t80 -60.07 -41.45 92.44 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.313 -0.867 . . . . 0.0 110.365 -179.596 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 93.0 mt-30 -60.0 -42.02 93.33 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 120.753 -1.217 . . . . 0.0 109.788 179.805 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 76.9 mt-10 -68.8 -38.32 79.85 Favored 'General case' 0 C--N 1.302 -1.482 0 O-C-N 121.446 -0.784 . . . . 0.0 110.021 -179.601 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 64.4 t80 -60.0 -40.45 89.23 Favored 'General case' 0 N--CA 1.494 1.733 0 O-C-N 121.175 -0.953 . . . . 0.0 110.604 -179.474 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' MET . . . . . 0.523 ' SD ' ' O ' ' A' ' 74' ' ' MET . 0.0 OUTLIER -60.11 -40.6 90.24 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 120.833 -1.167 . . . . 0.0 108.524 -179.748 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -60.78 -38.6 85.84 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.429 -0.794 . . . . 0.0 109.985 179.29 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 66.0 t80 -60.01 -44.11 94.8 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.259 -0.901 . . . . 0.0 110.231 -179.168 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 61.4 t -60.01 -44.27 94.38 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.474 0 O-C-N 120.973 -1.079 . . . . 0.0 109.035 179.837 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' SER . . . . . 0.477 ' OG ' ' SD ' ' B' ' 74' ' ' MET . 57.2 m -60.1 -39.96 87.98 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.366 -0.833 . . . . 0.0 110.395 -179.534 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 95.5 mtp -64.57 -40.01 94.79 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.203 -0.936 . . . . 0.0 109.92 -179.49 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 83.4 t -69.37 -41.77 80.96 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.499 0 O-C-N 121.214 -0.929 . . . . 0.0 109.408 -179.68 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' THR . . . . . 0.505 ' O ' ' SG ' ' A' ' 84' ' ' CYS . 94.4 m -64.6 -42.74 95.37 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.243 -0.911 . . . . 0.0 109.474 -179.705 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 28.7 p -70.54 -38.75 74.23 Favored 'General case' 0 C--N 1.302 -1.484 0 O-C-N 121.214 -0.929 . . . . 0.0 109.385 179.541 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -68.04 -40.09 82.92 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.323 -0.86 . . . . 0.0 110.145 -179.814 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' CYS . . . . . 0.505 ' SG ' ' O ' ' A' ' 81' ' ' THR . 14.5 p -61.98 150.39 38.02 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.099 -1.001 . . . . 0.0 109.477 -179.773 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 16.3 m-70 -72.6 149.65 43.78 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.215 -0.928 . . . . 0.0 109.674 -179.606 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 92.1 mt-10 -67.58 -39.98 84.86 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.223 -0.923 . . . . 0.0 109.702 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 8.6 m-85 -92.65 100.47 12.97 Favored 'General case' 0 N--CA 1.496 1.844 0 O-C-N 121.206 -0.933 . . . . 0.0 110.57 -178.89 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 15.9 t80 -90.03 -80.05 0.33 Allowed 'General case' 0 N--CA 1.496 1.863 0 N-CA-C 108.17 -1.048 . . . . 0.0 108.17 178.543 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 84.2 tt0 -114.65 -73.37 0.66 Allowed 'General case' 0 N--CA 1.502 2.169 0 N-CA-C 107.699 -1.223 . . . . 0.0 107.699 178.141 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' HIS . . . . . 0.501 ' O ' ' CB ' ' A' ' 91' ' ' GLU . 21.2 m80 51.58 51.54 16.51 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.608 -0.683 . . . . 0.0 111.262 178.083 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . 0.501 ' CB ' ' O ' ' A' ' 90' ' ' HIS . 2.8 tm-20 . . . . . 0 N--CA 1.498 1.965 0 CA-C-O 117.973 -1.013 . . . . 0.0 109.603 179.18 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 0' ' ' MET . . . . . . . . . . . . . 21.9 ptt? . . . . . 0 N--CA 1.49 1.539 0 N-CA-C 109.319 -0.623 . . . . 0.0 109.319 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 32.6 t -83.94 169.78 14.68 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.31 -0.869 . . . . 0.0 109.515 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 62.4 mm-40 -60.04 -36.41 77.25 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.46 -0.775 . . . . 0.0 109.425 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -59.62 -47.92 83.68 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.276 -0.89 . . . . 0.0 109.276 -179.267 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 4' ' ' GLU . . . . . 0.502 ' OE1' ' CE1' ' A' ' 43' ' ' PHE . 42.9 mm-40 -60.62 -42.35 96.69 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 120.858 -1.151 . . . . 0.0 109.673 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 55.6 mttp -68.93 -37.76 79.1 Favored 'General case' 0 N--CA 1.496 1.837 0 O-C-N 121.415 -0.803 . . . . 0.0 110.658 -179.83 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -59.37 -40.05 85.27 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.167 -0.958 . . . . 0.0 109.183 -179.132 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 7' ' ' MET . . . . . . . . . . . . . 36.5 tpp -59.97 -44.61 94.35 Favored 'General case' 0 C--N 1.301 -1.535 0 O-C-N 121.273 -0.892 . . . . 0.0 108.902 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 73.8 t -69.98 -39.92 78.01 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.667 0 O-C-N 121.463 -0.773 . . . . 0.0 110.099 179.899 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -47.87 -50.87 25.12 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.302 -0.874 . . . . 0.0 110.669 -178.237 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 9.5 mp -60.15 -43.12 96.02 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 120.979 -1.076 . . . . 0.0 109.838 -179.483 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 96.9 mt -69.95 -39.96 78.12 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.641 0 O-C-N 121.081 -1.012 . . . . 0.0 110.974 -179.027 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 37.9 t0 -65.18 -49.98 67.71 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 120.899 -1.126 . . . . 0.0 110.604 -178.766 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 67.5 t -67.16 -46.96 83.1 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.597 0 O-C-N 121.182 -0.949 . . . . 0.0 110.129 -178.804 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 14' ' ' PHE . . . . . . . . . . . . . 62.1 t80 -59.93 -49.63 76.94 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 120.995 -1.066 . . . . 0.0 110.338 -179.23 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 86.4 t60 -60.02 -47.81 84.31 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.226 -0.921 . . . . 0.0 110.849 -178.811 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 46.3 mt-30 -64.84 -53.9 39.51 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.027 -1.046 . . . . 0.0 111.381 -178.459 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 62.9 t80 -69.74 -40.93 75.88 Favored 'General case' 0 N--CA 1.496 1.84 0 O-C-N 120.961 -1.087 . . . . 0.0 111.275 -178.395 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 23.2 t -64.5 -39.93 94.71 Favored 'General case' 0 N--CA 1.495 1.775 0 O-C-N 121.039 -1.038 . . . . 0.0 111.573 -178.463 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -70.04 -14.24 70.66 Favored Glycine 0 N--CA 1.495 2.6 0 C-N-CA 119.833 -1.175 . . . . 0.0 110.828 -178.214 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 19.9 mmt180 -63.18 -39.98 96.2 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 120.795 -1.415 . . . . 0.0 110.046 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 77.3 mm-40 -113.72 129.29 56.6 Favored 'General case' 0 N--CA 1.5 2.029 0 O-C-N 121.514 -0.741 . . . . 0.0 109.823 -179.441 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . 84.8 -13.39 53.54 Favored Glycine 0 N--CA 1.494 2.531 0 N-CA-C 109.944 -1.262 . . . . 0.0 109.944 179.464 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 43.9 t0 50.01 40.04 20.32 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.235 -1.156 . . . . 0.0 109.79 -179.884 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 29.2 ttmt -160.18 -125.19 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.216 -0.927 . . . . 0.0 108.952 179.761 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 25' ' ' HIS . . . . . . . . . . . . . 97.9 m-70 -146.77 75.38 1.39 Allowed 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.042 -1.036 . . . . 0.0 109.307 179.927 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -145.31 147.65 32.56 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 121.47 -0.768 . . . . 0.0 109.377 179.46 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 46.8 mt -128.73 127.07 41.35 Favored 'General case' 0 N--CA 1.495 1.811 0 N-CA-C 108.515 -0.92 . . . . 0.0 108.515 179.573 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 28' ' ' LYS . . . . . 0.435 ' CB ' ' NZ ' ' B' ' 28' ' ' LYS . 0.1 OUTLIER -100.86 -176.71 3.25 Favored 'General case' 0 N--CA 1.498 1.938 0 O-C-N 121.327 -0.858 . . . . 0.0 109.078 179.582 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 1.8 mppt? -59.95 -49.73 76.55 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.284 -0.885 . . . . 0.0 110.553 -179.003 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 68.1 m -62.86 -43.57 98.46 Favored 'General case' 0 N--CA 1.495 1.808 0 O-C-N 121.097 -1.002 . . . . 0.0 110.852 -179.029 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 31' ' ' GLU . . . . . 0.402 ' H ' ' HG3' ' B' ' 28' ' ' LYS . 85.6 tt0 -64.41 -39.96 94.85 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.303 -0.873 . . . . 0.0 110.55 -179.018 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 63.5 tp -59.95 -49.43 77.7 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.2 -0.938 . . . . 0.0 109.362 -178.768 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 9.8 mtpm? -60.55 -40.36 91.31 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.097 -1.002 . . . . 0.0 109.835 179.804 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 72.7 mm-40 -65.56 -40.04 92.35 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.344 -0.847 . . . . 0.0 110.052 -179.69 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 2.8 tt -60.61 -46.16 91.3 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.052 -1.03 . . . . 0.0 109.096 -179.94 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 36' ' ' ILE . . . . . 0.408 HD11 HG22 ' B' ' 36' ' ' ILE . 89.3 mt -60.03 -42.54 90.06 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.643 0 O-C-N 121.179 -0.951 . . . . 0.0 109.797 -179.746 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 82.6 m-20 -72.07 -15.47 62.02 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.359 -0.838 . . . . 0.0 110.281 -179.588 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 38' ' ' ASN . . . . . 0.415 ' OD1' ' OE1' ' B' ' 39' ' ' GLU . 41.2 t-20 -60.03 -50.03 75.32 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.204 -0.935 . . . . 0.0 110.696 -178.357 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 39' ' ' GLU . . . . . 0.415 ' OE1' ' OD1' ' B' ' 38' ' ' ASN . 0.7 OUTLIER -154.71 -14.97 0.12 Allowed 'General case' 0 N--CA 1.499 2.017 0 O-C-N 120.497 -1.377 . . . . 0.0 110.263 179.095 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 11.0 mp -85.31 7.66 21.47 Favored 'General case' 0 N--CA 1.495 1.795 0 O-C-N 120.911 -1.118 . . . . 0.0 109.053 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 28.0 p -59.94 -39.96 87.32 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.355 -0.841 . . . . 0.0 109.634 179.844 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 42' ' ' HIS . . . . . . . . . . . . . 47.0 t-80 -63.38 -42.53 98.84 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.245 -0.909 . . . . 0.0 110.037 -179.525 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 43' ' ' PHE . . . . . 0.483 ' CE1' ' OE1' ' A' ' 4' ' ' GLU . 4.4 m-85 -69.09 -46.67 67.17 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.199 -0.938 . . . . 0.0 110.14 -179.473 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 69.3 mt -116.62 129.89 56.42 Favored 'General case' 0 N--CA 1.499 1.982 0 O-C-N 121.487 -0.758 . . . . 0.0 109.717 -179.086 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 45' ' ' GLU . . . . . 0.4 ' O ' ' CD ' ' B' ' 45' ' ' GLU . 11.3 tm-20 -150.95 10.78 0.63 Allowed 'General case' 0 N--CA 1.492 1.65 0 N-CA-C 108.839 -0.8 . . . . 0.0 108.839 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -78.52 -10.04 59.57 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.021 -1.049 . . . . 0.0 109.594 -179.871 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 90.3 mt -73.54 127.36 35.39 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.459 0 O-C-N 121.165 -0.96 . . . . 0.0 109.331 -179.876 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 43.0 tttp -135.89 -53.7 0.76 Allowed 'General case' 0 N--CA 1.493 1.724 0 N-CA-C 109.041 -0.725 . . . . 0.0 109.041 -179.788 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 27.2 mp0 -93.45 148.93 21.63 Favored 'General case' 0 N--CA 1.498 1.971 0 O-C-N 121.237 -0.914 . . . . 0.0 109.718 179.564 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 3.2 mp0 -60.01 -32.17 70.62 Favored 'General case' 0 N--CA 1.494 1.768 0 O-C-N 121.393 -0.817 . . . . 0.0 109.631 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -60.06 -37.09 78.83 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.296 -0.878 . . . . 0.0 109.521 -179.337 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 58.1 t -60.03 -40.86 84.4 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.493 0 O-C-N 121.219 -0.925 . . . . 0.0 109.242 -179.889 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 54.4 t -64.83 -41.39 92.05 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.587 0 O-C-N 121.004 -1.06 . . . . 0.0 109.046 179.756 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 8.4 t70 -60.18 -42.75 95.68 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.22 -0.925 . . . . 0.0 109.594 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 33.2 ttmt -60.68 -42.92 98.08 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.3 -0.875 . . . . 0.0 109.821 -179.79 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 77.5 t -66.3 -40.11 85.94 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.479 0 O-C-N 121.23 -0.918 . . . . 0.0 109.62 -179.537 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 57' ' ' MET . . . . . . . . . . . . . 3.8 ttt -63.71 -44.54 93.3 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.146 -0.971 . . . . 0.0 110.344 -179.43 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 38.2 mm-40 -62.2 -40.18 95.22 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 120.994 -1.066 . . . . 0.0 109.603 -179.882 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 94.2 m -70.01 -43.33 71.59 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.31 -0.869 . . . . 0.0 109.753 179.625 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 35.7 tp -62.46 -47.08 85.6 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.51 -0.744 . . . . 0.0 110.595 -179.454 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 95.5 m-20 -80.07 111.22 16.21 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.096 -1.002 . . . . 0.0 109.598 -179.348 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 25.9 mp0 -69.97 -39.96 75.66 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.566 -0.709 . . . . 0.0 109.86 -179.694 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 37.3 p-10 -86.71 -7.04 58.64 Favored 'General case' 0 N--CA 1.495 1.792 0 O-C-N 121.278 -0.889 . . . . 0.0 110.341 -179.483 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 57.01 42.96 93.24 Favored Glycine 0 N--CA 1.49 2.282 0 N-CA-C 109.872 -1.291 . . . . 0.0 109.872 179.623 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 33.7 p-10 -68.38 -20.33 64.68 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.0 -1.294 . . . . 0.0 109.295 -179.762 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 102.3 -11.39 56.91 Favored Glycine 0 N--CA 1.498 2.827 0 N-CA-C 110.507 -1.037 . . . . 0.0 110.507 179.281 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 20.7 pt-20 -141.59 155.05 45.78 Favored 'General case' 0 N--CA 1.497 1.891 0 O-C-N 121.081 -1.247 . . . . 0.0 109.266 179.663 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 68' ' ' CYS . . . . . . . . . . . . . 83.5 m -101.83 124.06 46.83 Favored 'General case' 0 N--CA 1.5 2.043 0 O-C-N 121.31 -0.869 . . . . 0.0 109.934 -179.509 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 73.0 m-20 -96.71 175.64 6.3 Favored 'General case' 0 N--CA 1.495 1.802 0 O-C-N 121.551 -0.718 . . . . 0.0 109.607 -179.891 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 71.3 t80 -60.03 -41.09 91.5 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.362 -0.836 . . . . 0.0 110.3 -179.571 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 90.1 mt-30 -60.02 -42.5 94.47 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 120.941 -1.099 . . . . 0.0 109.724 179.904 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 76.1 mt-10 -68.7 -38.02 79.98 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.311 -0.868 . . . . 0.0 109.99 -179.671 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 73' ' ' PHE . . . . . . . . . . . . . 64.7 t80 -60.03 -40.38 89.13 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.097 -1.002 . . . . 0.0 110.639 -179.358 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 74' ' ' MET . . . . . 0.515 ' SD ' ' O ' ' B' ' 74' ' ' MET . 0.0 OUTLIER -60.04 -40.69 90.25 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 120.923 -1.11 . . . . 0.0 108.501 -179.823 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -60.85 -38.8 86.75 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.485 -0.759 . . . . 0.0 110.015 179.415 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 64.7 t80 -59.97 -43.88 94.82 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.294 -0.878 . . . . 0.0 110.237 -179.168 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 77' ' ' VAL . . . . . . . . . . . . . 53.4 t -60.07 -44.57 95.21 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.511 0 O-C-N 121.033 -1.042 . . . . 0.0 109.043 179.746 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 78' ' ' SER . . . . . 0.513 ' OG ' ' SD ' ' A' ' 74' ' ' MET . 52.3 m -59.97 -40.07 87.82 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.481 -0.762 . . . . 0.0 110.371 -179.449 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 79' ' ' MET . . . . . . . . . . . . . 96.6 mtp -64.28 -40.05 95.17 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.094 -1.004 . . . . 0.0 109.932 -179.395 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 73.8 t -69.43 -41.68 80.78 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.413 0 O-C-N 121.229 -0.92 . . . . 0.0 109.482 -179.773 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 81' ' ' THR . . . . . 0.499 ' O ' ' SG ' ' B' ' 84' ' ' CYS . 94.7 m -64.48 -42.9 95.61 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.229 -0.92 . . . . 0.0 109.6 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 20.2 p -70.38 -39.11 74.75 Favored 'General case' 0 C--N 1.302 -1.49 0 O-C-N 121.176 -0.953 . . . . 0.0 109.363 179.432 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -67.72 -39.98 84.27 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.415 -0.803 . . . . 0.0 110.259 -179.605 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 84' ' ' CYS . . . . . 0.499 ' SG ' ' O ' ' B' ' 81' ' ' THR . 14.7 p -62.24 150.33 39.37 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 120.943 -1.098 . . . . 0.0 109.431 -179.904 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 85' ' ' HIS . . . . . . . . . . . . . 16.3 m-70 -72.36 149.98 43.87 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.209 -0.932 . . . . 0.0 109.622 -179.648 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 92.2 mt-10 -67.92 -40.05 83.42 Favored 'General case' 0 N--CA 1.488 1.454 0 O-C-N 121.305 -0.872 . . . . 0.0 109.698 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 87' ' ' PHE . . . . . . . . . . . . . 7.9 m-85 -92.6 100.53 13.03 Favored 'General case' 0 N--CA 1.496 1.853 0 O-C-N 121.199 -0.938 . . . . 0.0 110.468 -178.874 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 15.9 t80 -89.95 -80.02 0.32 Allowed 'General case' 0 N--CA 1.496 1.848 0 N-CA-C 108.167 -1.049 . . . . 0.0 108.167 178.535 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 86.9 tt0 -114.9 -72.24 0.7 Allowed 'General case' 0 N--CA 1.502 2.136 0 N-CA-C 107.744 -1.206 . . . . 0.0 107.744 178.289 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 90' ' ' HIS . . . . . 0.489 ' O ' ' CB ' ' B' ' 91' ' ' GLU . 24.2 m80 50.55 50.86 18.04 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.537 -0.727 . . . . 0.0 111.515 178.107 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 91' ' ' GLU . . . . . 0.489 ' CB ' ' O ' ' B' ' 90' ' ' HIS . 3.0 tm-20 . . . . . 0 N--CA 1.498 1.968 0 CA-C-O 117.903 -1.046 . . . . 0.0 109.742 179.202 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 92' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 93' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 96.9 mtp . . . . . 0 N--CA 1.489 1.522 0 N-CA-C 109.452 -0.573 . . . . 0.0 109.452 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 1.9 t -76.56 0.71 19.04 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.214 -0.929 . . . . 0.0 109.159 179.908 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 95.4 mt-10 -60.08 -31.2 69.79 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.206 -0.934 . . . . 0.0 109.144 179.835 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 65.1 tp -60.0 -48.61 81.0 Favored 'General case' 0 N--CA 1.488 1.455 0 O-C-N 121.205 -0.934 . . . . 0.0 109.074 -179.674 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 85.6 tt0 -60.12 -40.42 89.67 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.153 -0.967 . . . . 0.0 109.091 179.664 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 17.2 mtpp -67.07 -36.25 81.6 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.556 -0.715 . . . . 0.0 109.725 -179.935 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -59.97 -43.33 95.14 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.386 -0.821 . . . . 0.0 109.981 -178.745 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 57.1 mtt -60.06 -42.95 95.62 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 120.827 -1.171 . . . . 0.0 108.962 179.503 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 53.9 t -69.95 -40.09 78.26 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.45 0 O-C-N 121.353 -0.842 . . . . 0.0 109.131 179.335 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.01 -43.78 94.99 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.475 -0.766 . . . . 0.0 110.631 -179.301 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 1.2 mt -60.02 -49.73 76.5 Favored 'General case' 0 N--CA 1.494 1.746 0 O-C-N 121.053 -1.029 . . . . 0.0 109.46 -179.52 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.421 HG22 HD11 ' A' ' 11' ' ' ILE . 96.7 mt -60.58 -45.63 96.9 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.486 0 O-C-N 121.131 -0.981 . . . . 0.0 109.958 -179.907 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 95.9 m-20 -61.28 -41.38 96.85 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.363 -0.836 . . . . 0.0 110.709 -178.538 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 53.8 t -70.02 -46.21 73.82 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.736 0 O-C-N 120.871 -1.143 . . . . 0.0 110.128 -179.115 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . 0.505 ' CE1' ' OG ' ' A' ' 18' ' ' SER . 65.3 t80 -60.03 -41.24 91.79 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.144 -0.972 . . . . 0.0 110.173 -179.481 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 52.4 t-80 -60.75 -46.35 90.79 Favored 'General case' 0 C--N 1.3 -1.552 0 O-C-N 121.353 -0.842 . . . . 0.0 110.956 -179.278 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 74.1 mt-30 -60.93 -50.76 72.1 Favored 'General case' 0 N--CA 1.495 1.818 0 O-C-N 120.987 -1.071 . . . . 0.0 111.143 -178.639 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 63.8 m-85 -71.0 -37.59 72.68 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 121.006 -1.059 . . . . 0.0 110.309 -179.721 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' SER . . . . . 0.505 ' OG ' ' CE1' ' A' ' 14' ' ' PHE . 72.0 m -60.08 -41.19 91.93 Favored 'General case' 0 C--N 1.299 -1.6 0 O-C-N 121.122 -0.986 . . . . 0.0 110.142 -178.962 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -75.47 19.73 2.37 Favored Glycine 0 N--CA 1.493 2.474 0 C-N-CA 120.085 -1.055 . . . . 0.0 110.602 -179.386 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . 0.43 ' NH1' ' OE1' ' A' ' 34' ' ' GLU . 66.9 ttt180 -59.99 -44.96 94.17 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.11 -1.23 . . . . 0.0 110.412 -179.676 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . 0.433 ' O ' ' C ' ' A' ' 22' ' ' GLY . 82.0 tt0 -164.97 114.4 1.09 Allowed 'General case' 0 N--CA 1.493 1.71 0 O-C-N 120.682 -1.261 . . . . 0.0 111.241 -179.551 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . 0.433 ' C ' ' O ' ' A' ' 21' ' ' GLU . . . 32.64 41.54 0.11 Allowed Glycine 0 N--CA 1.502 3.066 0 N-CA-C 111.872 -0.491 . . . . 0.0 111.872 178.291 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . 0.405 ' OD2' ' O ' ' A' ' 21' ' ' GLU . 34.0 m-20 -144.45 84.16 1.74 Allowed 'General case' 0 N--CA 1.5 2.05 0 O-C-N 121.004 -1.291 . . . . 0.0 109.498 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 2.9 mmmm -92.54 -41.53 10.19 Favored 'General case' 0 N--CA 1.497 1.899 0 O-C-N 120.798 -1.189 . . . . 0.0 110.708 -179.068 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 8.8 p80 -111.94 17.07 20.03 Favored 'General case' 0 N--CA 1.503 2.206 0 O-C-N 121.229 -0.919 . . . . 0.0 111.162 -178.26 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 63.0 mttm -140.51 144.94 36.26 Favored 'General case' 0 N--CA 1.498 1.93 0 O-C-N 121.025 -1.047 . . . . 0.0 109.006 178.546 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 2.3 tp -124.89 129.37 50.26 Favored 'General case' 0 N--CA 1.498 1.936 0 N-CA-C 108.272 -1.01 . . . . 0.0 108.272 -179.936 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 46.4 pttt -110.52 -177.22 3.18 Favored 'General case' 0 N--CA 1.5 2.038 0 CA-C-O 121.82 0.819 . . . . 0.0 111.131 -178.476 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 34.0 mtmt -60.01 -40.04 87.89 Favored 'General case' 0 N--CA 1.496 1.846 0 N-CA-C 112.707 0.632 . . . . 0.0 112.707 -178.115 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 73.1 m -60.06 -42.16 93.89 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 120.7 -1.25 . . . . 0.0 110.525 -177.693 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 -72.58 -39.81 67.09 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.127 -0.983 . . . . 0.0 110.745 179.738 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 53.4 tp -59.97 -41.07 91.17 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.2 -0.938 . . . . 0.0 109.164 -179.134 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 78.8 tttt -61.91 -40.73 96.46 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.678 -0.639 . . . . 0.0 110.958 -179.803 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . 0.43 ' OE1' ' NH1' ' A' ' 20' ' ' ARG . 81.5 tt0 -66.11 -39.98 90.36 Favored 'General case' 0 N--CA 1.495 1.787 0 O-C-N 120.884 -1.135 . . . . 0.0 111.233 -178.544 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 16.0 mt -66.72 -39.97 88.22 Favored 'General case' 0 N--CA 1.495 1.822 0 O-C-N 120.909 -1.12 . . . . 0.0 110.839 -179.154 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 89.1 mt -66.27 -39.88 85.39 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.643 0 O-C-N 120.912 -1.118 . . . . 0.0 110.755 -178.764 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 10.0 t-20 -79.05 -19.57 51.03 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.099 -1.001 . . . . 0.0 110.7 -179.351 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 48.5 t-20 -65.94 -59.85 3.42 Favored 'General case' 0 N--CA 1.494 1.745 0 O-C-N 120.994 -1.066 . . . . 0.0 111.538 -178.186 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 1.5 pm0 -149.54 22.57 0.91 Allowed 'General case' 0 N--CA 1.502 2.166 0 O-C-N 120.514 -1.366 . . . . 0.0 111.327 -179.323 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 5.1 mt -127.74 16.26 6.93 Favored 'General case' 0 N--CA 1.505 2.287 0 O-C-N 121.097 -1.002 . . . . 0.0 109.732 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 84.1 p -69.97 -36.15 75.0 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.041 -1.037 . . . . 0.0 110.109 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 16.8 m170 -61.36 -40.06 92.93 Favored 'General case' 0 N--CA 1.495 1.79 0 O-C-N 121.05 -1.031 . . . . 0.0 111.189 -178.885 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 41.8 m-85 -61.62 -47.12 86.87 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 120.847 -1.158 . . . . 0.0 110.426 -178.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.429 ' C ' ' H ' ' A' ' 46' ' ' GLU . 92.8 mt -93.86 -71.85 0.64 Allowed 'General case' 0 N--CA 1.495 1.819 0 O-C-N 121.043 -1.036 . . . . 0.0 109.817 -179.743 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 1.4 tm-20 63.74 3.78 1.67 Allowed 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.243 -0.911 . . . . 0.0 109.127 -179.668 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . 0.429 ' H ' ' C ' ' A' ' 44' ' ' LEU . 2.6 tm-20 -94.25 -1.45 53.98 Favored 'General case' 0 N--CA 1.495 1.823 0 O-C-N 121.303 -0.873 . . . . 0.0 109.046 179.865 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 7.7 mm -79.4 129.61 37.32 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.536 0 O-C-N 121.07 -1.019 . . . . 0.0 109.702 -179.544 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 4.7 tmtm? -153.56 -39.57 0.1 Allowed 'General case' 0 N--CA 1.49 1.566 0 N-CA-C 108.543 -0.91 . . . . 0.0 108.543 179.737 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -108.16 144.86 35.01 Favored 'General case' 0 N--CA 1.497 1.922 0 O-C-N 121.477 -0.764 . . . . 0.0 110.02 -179.645 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 96.1 mm-40 -67.96 -28.91 67.86 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 121.397 -0.814 . . . . 0.0 110.091 -179.794 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 41.0 tt0 -60.01 -39.98 87.66 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.169 -0.957 . . . . 0.0 109.72 -179.194 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 53.7 t -59.95 -41.47 86.14 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.652 0 O-C-N 121.242 -0.911 . . . . 0.0 110.118 -179.085 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 53.1 t -60.91 -40.84 86.66 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.722 0 O-C-N 120.852 -1.155 . . . . 0.0 109.542 -179.754 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 79.2 m-20 -62.28 -41.6 98.62 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.318 -0.864 . . . . 0.0 110.27 -179.176 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 76.9 tttt -63.42 -40.08 96.23 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.417 -0.802 . . . . 0.0 110.47 -179.302 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 69.5 t -61.65 -40.76 87.82 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.606 0 O-C-N 121.201 -0.937 . . . . 0.0 110.245 -179.157 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' MET . . . . . 0.464 ' SD ' ' SG ' ' A' ' 68' ' ' CYS . 90.2 mmm -63.2 -40.09 96.49 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.278 -0.889 . . . . 0.0 110.897 -178.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 4.5 tm-20 -67.37 -39.96 85.72 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.102 -0.998 . . . . 0.0 110.437 -178.877 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 96.1 m -68.35 -39.95 81.68 Favored 'General case' 0 N--CA 1.495 1.81 0 O-C-N 121.172 -0.955 . . . . 0.0 110.956 -179.504 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 15.8 tp -67.53 -20.22 65.39 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.183 -0.948 . . . . 0.0 109.542 -178.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . 0.433 ' CG ' ' H ' ' A' ' 66' ' ' GLY . 36.7 t70 -73.99 81.58 1.7 Allowed 'General case' 0 N--CA 1.494 1.732 0 O-C-N 121.165 -0.959 . . . . 0.0 111.39 -178.801 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 85.5 mt-10 -87.69 -23.03 24.31 Favored 'General case' 0 N--CA 1.496 1.861 0 O-C-N 121.167 -0.958 . . . . 0.0 109.056 178.272 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . 0.457 ' N ' ' OD1' ' A' ' 63' ' ' ASP . 28.6 p-10 -82.32 -2.84 54.02 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.214 -0.929 . . . . 0.0 110.122 -179.323 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 69.65 31.13 70.51 Favored Glycine 0 N--CA 1.493 2.496 0 N-CA-C 110.196 -1.162 . . . . 0.0 110.196 179.071 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 9.7 t70 -94.44 -36.72 11.77 Favored 'General case' 0 N--CA 1.495 1.803 0 O-C-N 121.125 -1.22 . . . . 0.0 110.18 -179.506 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . 0.433 ' H ' ' CG ' ' A' ' 61' ' ' ASP . . . 90.27 -2.74 81.57 Favored Glycine 0 N--CA 1.499 2.888 0 O-C-N 120.972 -1.08 . . . . 0.0 110.916 179.298 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 61.9 mm-40 -134.1 157.72 45.45 Favored 'General case' 0 N--CA 1.5 2.066 0 O-C-N 121.086 -1.244 . . . . 0.0 108.413 179.489 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' CYS . . . . . 0.464 ' SG ' ' SD ' ' A' ' 57' ' ' MET . 55.8 m -92.06 107.38 19.17 Favored 'General case' 0 N--CA 1.496 1.833 0 O-C-N 120.911 -1.118 . . . . 0.0 109.821 -179.53 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 95.2 m-20 -89.32 168.34 12.33 Favored 'General case' 0 N--CA 1.495 1.823 0 O-C-N 121.036 -1.04 . . . . 0.0 109.382 179.657 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 70.3 t80 -59.96 -40.0 87.53 Favored 'General case' 0 C--N 1.301 -1.506 0 O-C-N 121.412 -0.805 . . . . 0.0 109.505 -179.793 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 51.9 tt0 -60.02 -49.69 76.69 Favored 'General case' 0 N--CA 1.494 1.751 0 O-C-N 121.247 -0.908 . . . . 0.0 110.87 -178.906 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -69.98 -26.81 64.26 Favored 'General case' 0 N--CA 1.498 1.946 0 O-C-N 120.811 -1.181 . . . . 0.0 109.026 -179.823 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 47.1 t80 -60.04 -46.9 88.01 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.376 -0.827 . . . . 0.0 109.703 -179.006 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 97.1 mmm -59.99 -39.19 84.9 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.177 -0.952 . . . . 0.0 108.918 179.759 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -59.66 -36.31 76.16 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.416 -0.802 . . . . 0.0 109.685 -179.686 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 84.0 t80 -60.07 -41.63 92.8 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 120.941 -1.1 . . . . 0.0 109.329 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 54.2 t -60.0 -40.98 84.66 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.545 0 O-C-N 121.055 -1.028 . . . . 0.0 108.693 179.29 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 37.5 t -63.63 -46.16 86.94 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.401 -0.812 . . . . 0.0 110.009 -179.902 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 95.7 mtp -60.23 -40.28 89.67 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.118 -0.989 . . . . 0.0 109.756 -179.504 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . 0.44 ' O ' ' SG ' ' A' ' 84' ' ' CYS . 54.7 t -69.25 -39.99 79.8 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.472 0 O-C-N 121.258 -0.901 . . . . 0.0 109.173 179.852 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 15.8 m -65.12 -43.94 90.35 Favored 'General case' 0 C--N 1.303 -1.44 0 O-C-N 121.312 -0.867 . . . . 0.0 109.587 -179.562 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 63.4 p -70.48 -39.98 73.9 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.199 -0.938 . . . . 0.0 109.992 -179.932 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -59.98 -47.66 84.9 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.134 -0.979 . . . . 0.0 109.501 -179.709 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' CYS . . . . . 0.444 ' O ' ' SG ' ' A' ' 84' ' ' CYS . 26.3 p -80.79 110.88 16.72 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.272 -0.893 . . . . 0.0 109.439 179.924 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' HIS . . . . . 0.441 ' ND1' ' N ' ' A' ' 85' ' ' HIS . 11.7 p-80 -121.52 28.43 7.72 Favored 'General case' 0 N--CA 1.498 1.928 0 O-C-N 121.645 -0.66 . . . . 0.0 109.364 -179.942 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . 0.572 ' O ' ' CD1' ' A' ' 87' ' ' PHE . 86.2 tt0 -70.01 -26.12 63.91 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.36 -0.838 . . . . 0.0 109.962 -179.8 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' PHE . . . . . 0.602 ' CD2' ' O ' ' A' ' 87' ' ' PHE . 28.2 p90 45.26 104.73 0.0 OUTLIER 'General case' 0 N--CA 1.499 2.007 0 CA-C-O 121.979 0.895 . . . . 0.0 110.286 -178.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 96.0 m-85 -82.77 122.39 28.13 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 120.785 -1.197 . . . . 0.0 108.725 179.908 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 49.3 tp10 -97.69 104.48 16.51 Favored 'General case' 0 N--CA 1.496 1.844 0 O-C-N 121.138 -0.976 . . . . 0.0 109.098 -179.826 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 45.1 m80 -73.67 149.85 41.67 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.234 -0.917 . . . . 0.0 109.07 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 . . . . . 0 N--CA 1.491 1.583 0 CA-C-O 118.031 -0.985 . . . . 0.0 109.525 -179.958 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 0' ' ' MET . . . . . . . . . . . . . 96.0 mtp . . . . . 0 N--CA 1.49 1.536 0 N-CA-C 109.363 -0.606 . . . . 0.0 109.363 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 1.5 t -76.81 0.89 19.02 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.204 -0.935 . . . . 0.0 109.278 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 95.3 mt-10 -59.95 -31.36 69.8 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.332 -0.855 . . . . 0.0 109.086 179.622 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 67.4 tp -59.91 -48.68 80.71 Favored 'General case' 0 N--CA 1.488 1.445 0 O-C-N 121.386 -0.821 . . . . 0.0 109.108 -179.657 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 85.4 tt0 -60.05 -40.24 88.74 Favored 'General case' 0 C--N 1.302 -1.457 0 O-C-N 121.168 -0.958 . . . . 0.0 109.2 179.514 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 16.8 mtpp -67.28 -36.16 80.98 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.483 -0.76 . . . . 0.0 109.721 -179.936 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -60.0 -43.42 95.2 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.286 -0.884 . . . . 0.0 109.982 -178.813 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 7' ' ' MET . . . . . . . . . . . . . 57.8 mtt -59.97 -43.03 95.33 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 120.822 -1.174 . . . . 0.0 108.897 179.56 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 54.2 t -69.98 -40.05 78.16 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.46 0 O-C-N 121.306 -0.871 . . . . 0.0 109.06 179.457 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.06 -43.87 95.12 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.494 -0.754 . . . . 0.0 110.693 -179.212 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 1.5 mt -60.07 -49.72 76.56 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.0 -1.063 . . . . 0.0 109.505 -179.606 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 11' ' ' ILE . . . . . 0.419 HD11 HG22 ' B' ' 11' ' ' ILE . 96.9 mt -60.45 -45.8 96.25 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.509 0 O-C-N 121.098 -1.001 . . . . 0.0 109.866 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 95.9 m-20 -61.33 -41.13 96.51 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.297 -0.877 . . . . 0.0 110.751 -178.568 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 54.1 t -70.04 -46.44 72.92 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.733 0 O-C-N 120.995 -1.065 . . . . 0.0 110.16 -179.209 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 14' ' ' PHE . . . . . 0.499 ' CE1' ' OG ' ' B' ' 18' ' ' SER . 64.7 t80 -59.98 -41.07 91.21 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.256 -0.902 . . . . 0.0 110.165 -179.619 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 52.5 t-80 -60.75 -46.81 89.01 Favored 'General case' 0 C--N 1.301 -1.533 0 O-C-N 121.309 -0.869 . . . . 0.0 110.838 -179.227 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 74.3 mt-30 -60.32 -51.11 70.94 Favored 'General case' 0 N--CA 1.494 1.74 0 O-C-N 120.867 -1.146 . . . . 0.0 111.257 -178.724 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 65.0 m-85 -70.81 -37.57 73.26 Favored 'General case' 0 N--CA 1.494 1.743 0 O-C-N 120.942 -1.099 . . . . 0.0 110.432 -179.797 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 18' ' ' SER . . . . . 0.499 ' OG ' ' CE1' ' B' ' 14' ' ' PHE . 75.0 m -60.03 -41.43 92.22 Favored 'General case' 0 C--N 1.301 -1.508 0 O-C-N 121.153 -0.967 . . . . 0.0 110.082 -178.772 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -75.23 19.55 2.27 Favored Glycine 0 N--CA 1.494 2.526 0 O-C-N 120.997 -1.064 . . . . 0.0 110.647 -179.404 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 20' ' ' ARG . . . . . 0.444 ' NH1' ' OE1' ' B' ' 34' ' ' GLU . 66.7 ttt180 -59.96 -45.2 93.45 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.074 -1.25 . . . . 0.0 110.268 -179.723 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 21' ' ' GLU . . . . . 0.427 ' O ' ' C ' ' B' ' 22' ' ' GLY . 80.6 tt0 -164.58 114.44 1.17 Allowed 'General case' 0 N--CA 1.494 1.761 0 O-C-N 120.631 -1.293 . . . . 0.0 111.379 -179.628 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 22' ' ' GLY . . . . . 0.427 ' C ' ' O ' ' B' ' 21' ' ' GLU . . . 32.85 40.98 0.1 OUTLIER Glycine 0 N--CA 1.501 3.016 0 N-CA-C 111.886 -0.485 . . . . 0.0 111.886 178.247 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 23' ' ' ASP . . . . . 0.497 ' O ' ' O ' ' B' ' 18' ' ' SER . 35.4 m-20 -144.07 85.38 1.8 Allowed 'General case' 0 N--CA 1.499 1.993 0 O-C-N 120.892 -1.357 . . . . 0.0 109.265 179.875 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 4.2 mmmm -93.15 -41.58 9.85 Favored 'General case' 0 N--CA 1.495 1.801 0 O-C-N 120.864 -1.147 . . . . 0.0 110.462 -179.02 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 25' ' ' HIS . . . . . . . . . . . . . 9.1 p80 -111.69 16.34 20.6 Favored 'General case' 0 N--CA 1.502 2.148 0 O-C-N 121.342 -0.849 . . . . 0.0 111.399 -178.062 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 61.1 mttm -139.98 144.89 37.23 Favored 'General case' 0 N--CA 1.498 1.951 0 O-C-N 121.164 -0.96 . . . . 0.0 109.038 178.521 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 2.0 tp -124.51 129.62 50.95 Favored 'General case' 0 N--CA 1.498 1.963 0 N-CA-C 108.216 -1.031 . . . . 0.0 108.216 179.898 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 43.8 pttt -110.4 -177.37 3.22 Favored 'General case' 0 N--CA 1.501 2.124 0 CA-C-O 121.97 0.891 . . . . 0.0 111.065 -178.747 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 37.3 mtmt -59.95 -40.07 87.73 Favored 'General case' 0 N--CA 1.496 1.873 0 N-CA-C 112.695 0.628 . . . . 0.0 112.695 -178.173 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 70.3 m -60.02 -41.53 92.4 Favored 'General case' 0 N--CA 1.496 1.83 0 O-C-N 120.662 -1.274 . . . . 0.0 110.558 -177.686 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 40.9 mt-10 -72.93 -39.99 65.81 Favored 'General case' 0 C--N 1.299 -1.611 0 O-C-N 121.094 -1.003 . . . . 0.0 110.68 179.925 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 54.2 tp -60.06 -40.74 90.5 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.264 -0.897 . . . . 0.0 109.211 -179.279 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 77.7 tttt -62.14 -40.96 97.7 Favored 'General case' 0 C--N 1.298 -1.654 0 O-C-N 121.569 -0.707 . . . . 0.0 110.844 -179.61 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 34' ' ' GLU . . . . . 0.444 ' OE1' ' NH1' ' B' ' 20' ' ' ARG . 80.9 tt0 -65.85 -40.01 91.3 Favored 'General case' 0 N--CA 1.496 1.863 0 O-C-N 121.089 -1.007 . . . . 0.0 111.285 -178.474 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 16.7 mt -66.73 -40.01 88.21 Favored 'General case' 0 N--CA 1.496 1.868 0 O-C-N 120.899 -1.126 . . . . 0.0 110.749 -179.126 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 91.7 mt -66.14 -39.94 85.73 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.679 0 O-C-N 120.885 -1.134 . . . . 0.0 110.757 -178.762 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 9.9 t-20 -79.07 -19.6 50.91 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.037 -1.039 . . . . 0.0 110.695 -179.284 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 48.3 t-20 -65.91 -60.01 3.28 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 120.983 -1.073 . . . . 0.0 111.56 -178.207 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 1.5 pm0 -149.26 22.65 0.94 Allowed 'General case' 0 N--CA 1.502 2.15 0 O-C-N 120.51 -1.369 . . . . 0.0 111.297 -179.416 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 5.1 mt -127.77 16.3 6.91 Favored 'General case' 0 N--CA 1.506 2.343 0 O-C-N 121.032 -1.042 . . . . 0.0 109.676 -179.929 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 80.5 p -70.03 -36.13 74.82 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 120.961 -1.087 . . . . 0.0 110.175 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 42' ' ' HIS . . . . . . . . . . . . . 16.8 m170 -61.27 -40.2 93.23 Favored 'General case' 0 N--CA 1.497 1.882 0 O-C-N 121.113 -0.992 . . . . 0.0 111.144 -178.899 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 42.1 m-85 -61.64 -47.18 86.54 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 120.832 -1.168 . . . . 0.0 110.416 -178.887 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 44' ' ' LEU . . . . . 0.405 ' C ' ' H ' ' B' ' 46' ' ' GLU . 90.1 mt -93.66 -72.02 0.63 Allowed 'General case' 0 N--CA 1.495 1.819 0 O-C-N 121.005 -1.059 . . . . 0.0 109.803 -179.887 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 1.4 tm-20 63.93 3.83 1.78 Allowed 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.278 -0.889 . . . . 0.0 109.12 -179.653 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 46' ' ' GLU . . . . . 0.405 ' H ' ' C ' ' B' ' 44' ' ' LEU . 2.6 tm-20 -94.38 -1.37 53.84 Favored 'General case' 0 N--CA 1.496 1.835 0 O-C-N 121.349 -0.845 . . . . 0.0 109.07 179.907 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 7.1 mm -79.49 129.6 37.32 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.572 0 O-C-N 121.14 -0.975 . . . . 0.0 109.686 -179.507 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 4.5 tmtm? -153.57 -39.41 0.1 Allowed 'General case' 0 N--CA 1.49 1.551 0 N-CA-C 108.64 -0.874 . . . . 0.0 108.64 179.686 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -108.28 144.91 35.13 Favored 'General case' 0 N--CA 1.499 1.987 0 O-C-N 121.499 -0.75 . . . . 0.0 109.961 -179.735 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 96.6 mm-40 -67.99 -28.93 67.85 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.438 -0.789 . . . . 0.0 109.92 -179.73 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 41.3 tt0 -59.97 -39.98 87.53 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.19 -0.944 . . . . 0.0 109.756 -179.202 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 54.3 t -59.89 -41.61 86.46 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.613 0 O-C-N 121.234 -0.916 . . . . 0.0 110.178 -179.072 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 53.8 t -60.8 -40.88 86.52 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.728 0 O-C-N 120.901 -1.124 . . . . 0.0 109.589 -179.686 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 80.0 m-20 -62.24 -41.33 98.33 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.248 -0.908 . . . . 0.0 110.3 -179.159 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 74.4 tttt -63.66 -40.07 95.91 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.398 -0.814 . . . . 0.0 110.311 -179.24 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 76.6 t -61.64 -41.06 88.88 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.524 0 O-C-N 121.216 -0.928 . . . . 0.0 110.212 -179.042 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 57' ' ' MET . . . . . 0.481 ' SD ' ' SG ' ' B' ' 68' ' ' CYS . 88.1 mmm -62.89 -40.01 96.22 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.277 -0.889 . . . . 0.0 110.972 -179.063 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 4.5 tm-20 -67.64 -39.99 84.62 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.146 -0.971 . . . . 0.0 110.413 -178.747 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 98.9 m -68.06 -40.01 82.86 Favored 'General case' 0 N--CA 1.495 1.811 0 O-C-N 121.137 -0.977 . . . . 0.0 110.943 -179.733 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 15.3 tp -67.89 -19.78 65.04 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.184 -0.948 . . . . 0.0 109.572 -178.838 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 61' ' ' ASP . . . . . 0.413 ' CG ' ' H ' ' B' ' 66' ' ' GLY . 36.4 t70 -74.29 81.61 1.86 Allowed 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.217 -0.927 . . . . 0.0 111.341 -178.853 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 86.8 mt-10 -87.81 -23.2 24.11 Favored 'General case' 0 N--CA 1.497 1.891 0 O-C-N 121.111 -0.993 . . . . 0.0 109.002 178.323 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 63' ' ' ASP . . . . . 0.443 ' N ' ' OD1' ' B' ' 63' ' ' ASP . 29.1 p-10 -82.08 -2.24 51.22 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.278 -0.889 . . . . 0.0 110.187 -179.526 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 68.68 31.83 73.77 Favored Glycine 0 N--CA 1.494 2.559 0 C-N-CA 119.943 -1.123 . . . . 0.0 110.32 179.205 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 9.6 t70 -94.78 -36.68 11.59 Favored 'General case' 0 N--CA 1.497 1.876 0 O-C-N 121.151 -1.205 . . . . 0.0 110.04 -179.583 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 66' ' ' GLY . . . . . 0.413 ' H ' ' CG ' ' B' ' 61' ' ' ASP . . . 90.24 -2.27 80.96 Favored Glycine 0 N--CA 1.499 2.882 0 O-C-N 120.989 -1.07 . . . . 0.0 110.81 179.244 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 60.8 mm-40 -134.58 157.64 46.06 Favored 'General case' 0 N--CA 1.501 2.075 0 O-C-N 121.235 -1.156 . . . . 0.0 108.317 179.438 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 68' ' ' CYS . . . . . 0.481 ' SG ' ' SD ' ' B' ' 57' ' ' MET . 59.3 m -92.19 107.9 19.55 Favored 'General case' 0 N--CA 1.495 1.801 0 O-C-N 120.889 -1.132 . . . . 0.0 109.705 -179.487 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 94.5 m-20 -89.67 168.32 12.21 Favored 'General case' 0 N--CA 1.494 1.772 0 O-C-N 121.025 -1.047 . . . . 0.0 109.241 179.695 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 69.1 t80 -60.0 -39.92 87.44 Favored 'General case' 0 C--N 1.3 -1.547 0 O-C-N 121.363 -0.836 . . . . 0.0 109.6 -179.912 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 51.5 tt0 -60.04 -49.66 76.78 Favored 'General case' 0 N--CA 1.494 1.754 0 O-C-N 121.271 -0.893 . . . . 0.0 110.807 -178.855 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -70.05 -26.88 64.23 Favored 'General case' 0 N--CA 1.499 1.987 0 O-C-N 120.833 -1.167 . . . . 0.0 108.87 -179.787 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 73' ' ' PHE . . . . . . . . . . . . . 47.8 t80 -59.98 -46.75 88.43 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.474 -0.766 . . . . 0.0 109.84 -178.871 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 74' ' ' MET . . . . . . . . . . . . . 96.8 mmm -60.01 -39.28 85.25 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.113 -0.992 . . . . 0.0 109.03 179.619 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -59.78 -36.1 76.01 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.321 -0.862 . . . . 0.0 109.672 -179.642 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 84.8 t80 -59.97 -41.78 92.71 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 120.932 -1.105 . . . . 0.0 109.217 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 77' ' ' VAL . . . . . . . . . . . . . 54.6 t -60.04 -40.97 84.7 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.418 0 O-C-N 121.036 -1.04 . . . . 0.0 108.674 179.225 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 78' ' ' SER . . . . . . . . . . . . . 36.9 t -63.61 -46.01 87.71 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.38 -0.825 . . . . 0.0 110.043 -179.853 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 79' ' ' MET . . . . . . . . . . . . . 95.9 mtp -60.29 -40.1 89.28 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.018 -1.051 . . . . 0.0 109.814 -179.585 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 80' ' ' VAL . . . . . 0.413 ' O ' ' SG ' ' B' ' 84' ' ' CYS . 54.5 t -69.46 -40.1 79.43 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.547 0 O-C-N 121.231 -0.918 . . . . 0.0 109.265 179.764 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 15.5 m -64.86 -44.12 90.77 Favored 'General case' 0 C--N 1.302 -1.475 0 O-C-N 121.341 -0.849 . . . . 0.0 109.608 -179.662 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 62.7 p -70.36 -39.98 74.29 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.076 -1.015 . . . . 0.0 110.051 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -60.04 -47.52 85.5 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.17 -0.956 . . . . 0.0 109.534 -179.701 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 84' ' ' CYS . . . . . 0.432 ' O ' ' SG ' ' B' ' 84' ' ' CYS . 26.4 p -80.78 110.87 16.7 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.293 -0.879 . . . . 0.0 109.457 179.835 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 85' ' ' HIS . . . . . 0.441 ' N ' ' ND1' ' B' ' 85' ' ' HIS . 11.7 p-80 -121.5 28.35 7.77 Favored 'General case' 0 N--CA 1.499 1.977 0 O-C-N 121.634 -0.666 . . . . 0.0 109.354 -179.865 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 86' ' ' GLU . . . . . 0.572 ' O ' ' CD1' ' B' ' 87' ' ' PHE . 86.4 tt0 -70.05 -26.24 63.93 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.418 -0.801 . . . . 0.0 109.949 -179.777 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 87' ' ' PHE . . . . . 0.589 ' O ' ' CD2' ' B' ' 87' ' ' PHE . 28.4 p90 45.36 104.59 0.0 OUTLIER 'General case' 0 N--CA 1.499 1.98 0 CA-C-O 122.014 0.912 . . . . 0.0 110.325 -178.95 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 96.0 m-85 -82.66 122.86 28.67 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 120.796 -1.19 . . . . 0.0 108.711 179.854 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 49.6 tp10 -98.58 101.57 13.04 Favored 'General case' 0 N--CA 1.495 1.809 0 O-C-N 121.141 -0.975 . . . . 0.0 109.489 -179.635 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 90' ' ' HIS . . . . . . . . . . . . . 34.2 m80 -69.97 150.05 47.11 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.199 -0.938 . . . . 0.0 109.579 179.326 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 . . . . . 0 N--CA 1.491 1.608 0 O-C-N 121.113 -0.992 . . . . 0.0 109.374 179.772 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 92' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 93' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 3.5 mmt . . . . . 0 N--CA 1.489 1.501 0 N-CA-C 109.345 -0.613 . . . . 0.0 109.345 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 33.0 p -71.8 -7.25 47.12 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.298 -0.876 . . . . 0.0 109.977 -179.684 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 48.1 mt-10 -60.01 -27.8 67.19 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.273 -0.892 . . . . 0.0 110.628 -179.359 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . 0.509 ' O ' ' SD ' ' A' ' 7' ' ' MET . 1.1 mp -54.29 -50.84 66.36 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 120.779 -1.2 . . . . 0.0 108.957 -179.589 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 61.6 mm-40 -60.32 -41.08 92.75 Favored 'General case' 0 N--CA 1.494 1.767 0 O-C-N 121.041 -1.037 . . . . 0.0 110.202 179.901 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 28.5 tptt -60.21 -40.03 88.68 Favored 'General case' 0 N--CA 1.488 1.463 0 O-C-N 121.231 -0.918 . . . . 0.0 109.39 -179.109 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -62.45 -50.1 72.8 Favored 'General case' 0 N--CA 1.495 1.79 0 O-C-N 121.293 -0.879 . . . . 0.0 110.869 -179.567 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' MET . . . . . 0.509 ' SD ' ' O ' ' A' ' 3' ' ' LEU . 3.6 mpp? -60.42 -40.24 90.34 Favored 'General case' 0 N--CA 1.495 1.806 0 O-C-N 120.74 -1.225 . . . . 0.0 109.828 -179.427 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 54.6 t -60.64 -40.14 83.72 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.487 0 O-C-N 121.223 -0.923 . . . . 0.0 109.739 -179.406 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -66.62 -40.16 88.66 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.139 -0.976 . . . . 0.0 110.304 -179.345 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 39.2 mt -65.22 -41.35 94.52 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.065 -1.022 . . . . 0.0 110.512 -179.445 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 96.9 mt -69.63 -47.27 72.22 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.661 0 O-C-N 121.004 -1.06 . . . . 0.0 110.222 -179.539 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 9.3 t0 -61.62 -40.24 94.15 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.177 -0.952 . . . . 0.0 110.612 -179.23 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 78.1 t -66.9 -41.11 87.15 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.683 0 O-C-N 121.039 -1.038 . . . . 0.0 110.64 -178.893 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 60.0 t80 -59.87 -46.89 87.85 Favored 'General case' 0 N--CA 1.494 1.745 0 O-C-N 120.781 -1.199 . . . . 0.0 110.172 -179.001 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 85.3 t60 -59.97 -41.27 91.59 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.297 -0.877 . . . . 0.0 111.634 -179.127 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 96.0 mt-30 -61.25 -50.58 72.48 Favored 'General case' 0 N--CA 1.494 1.766 0 O-C-N 120.85 -1.156 . . . . 0.0 111.133 -177.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 55.9 m-85 -70.1 -38.92 75.76 Favored 'General case' 0 N--CA 1.495 1.792 0 O-C-N 121.036 -1.04 . . . . 0.0 110.539 -179.703 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 77.2 p -60.02 -42.09 93.58 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 120.929 -1.107 . . . . 0.0 109.527 -179.152 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -74.04 -41.55 39.69 Favored Glycine 0 N--CA 1.49 2.238 0 N-CA-C 109.969 -1.252 . . . . 0.0 109.969 -179.872 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 2.8 tpm_? -60.09 -43.89 95.19 Favored 'General case' 0 N--CA 1.494 1.751 0 O-C-N 121.154 -1.203 . . . . 0.0 109.953 -179.263 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . 0.455 ' CD ' ' N ' ' A' ' 22' ' ' GLY . 14.9 tm-20 -168.74 147.36 4.11 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.023 -1.048 . . . . 0.0 109.786 -179.501 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . 0.455 ' N ' ' CD ' ' A' ' 21' ' ' GLU . . . 99.93 69.91 0.91 Allowed Glycine 0 N--CA 1.496 2.641 0 N-CA-C 109.434 -1.466 . . . . 0.0 109.434 179.739 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . 0.487 ' OD2' ' NZ ' ' A' ' 28' ' ' LYS . 82.0 m-20 51.38 177.36 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.455 -1.026 . . . . 0.0 110.102 179.646 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 9.2 mtmp? -95.03 -32.25 13.22 Favored 'General case' 0 N--CA 1.495 1.788 0 O-C-N 121.304 -0.873 . . . . 0.0 110.503 -179.427 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . 0.466 ' ND1' ' N ' ' A' ' 25' ' ' HIS . 13.8 p-80 -134.37 20.97 3.68 Favored 'General case' 0 N--CA 1.499 1.984 0 O-C-N 121.225 -0.922 . . . . 0.0 110.703 -178.612 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 25.5 mtpp -134.26 151.49 51.31 Favored 'General case' 0 N--CA 1.501 2.108 0 O-C-N 121.194 -0.941 . . . . 0.0 109.063 179.794 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 11.8 tp -99.55 128.63 45.67 Favored 'General case' 0 N--CA 1.498 1.966 0 O-C-N 121.292 -0.88 . . . . 0.0 109.45 -179.287 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.487 ' NZ ' ' OD2' ' A' ' 23' ' ' ASP . 30.1 mmtm -106.6 173.58 6.26 Favored 'General case' 0 N--CA 1.497 1.89 0 O-C-N 121.563 -0.71 . . . . 0.0 109.737 179.906 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 65.0 mttm -60.0 -38.88 83.9 Favored 'General case' 0 N--CA 1.494 1.737 0 O-C-N 121.652 -0.655 . . . . 0.0 110.435 -179.156 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 67.9 m -60.1 -39.97 88.03 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.319 -0.863 . . . . 0.0 110.359 -177.827 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 -67.7 -40.01 84.35 Favored 'General case' 0 N--CA 1.488 1.428 0 O-C-N 120.858 -1.151 . . . . 0.0 109.466 -179.88 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 41.6 tp -61.9 -48.98 78.05 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.269 -0.894 . . . . 0.0 109.37 179.626 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 14.3 ttmm -59.96 -44.52 94.38 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.415 -0.803 . . . . 0.0 109.99 -179.095 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . 0.463 ' O ' ' ND2' ' A' ' 38' ' ' ASN . 67.9 mm-40 -69.67 -39.74 76.84 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.152 -0.968 . . . . 0.0 109.643 179.925 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 64.3 tp -60.02 -47.45 85.8 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.099 -1.001 . . . . 0.0 109.573 -178.809 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 91.6 mt -63.54 -39.99 87.37 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.759 0 O-C-N 120.947 -1.096 . . . . 0.0 109.637 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . 0.439 ' O ' ' O ' ' A' ' 38' ' ' ASN . 14.7 t-20 -65.31 -32.64 74.4 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.365 -0.834 . . . . 0.0 110.578 -179.505 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . 0.463 ' ND2' ' O ' ' A' ' 34' ' ' GLU . 4.1 m120 -41.34 -95.89 0.0 OUTLIER 'General case' 0 N--CA 1.498 1.957 0 O-C-N 121.39 -0.819 . . . . 0.0 111.012 -178.565 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . 0.407 ' OE1' ' CG ' ' B' ' 4' ' ' GLU . 44.8 tt0 -110.27 -25.91 9.88 Favored 'General case' 0 N--CA 1.501 2.107 0 O-C-N 121.242 -0.911 . . . . 0.0 110.136 -179.24 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 82.6 mt -62.33 121.54 13.43 Favored 'General case' 0 C--N 1.302 -1.466 0 O-C-N 120.842 -1.161 . . . . 0.0 109.183 -178.897 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' SER . . . . . 0.447 ' O ' ' O ' ' A' ' 44' ' ' LEU . 80.7 p -163.18 -44.87 0.03 OUTLIER 'General case' 0 N--CA 1.488 1.437 0 O-C-N 121.591 -0.693 . . . . 0.0 109.2 -179.85 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 55.7 t-80 -60.03 -45.48 92.68 Favored 'General case' 0 N--CA 1.488 1.436 0 O-C-N 121.002 -1.061 . . . . 0.0 109.289 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 42.9 m-85 -64.68 -43.64 92.91 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.403 -0.811 . . . . 0.0 109.966 -179.831 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.447 ' O ' ' O ' ' A' ' 41' ' ' SER . 28.2 mt -131.93 141.97 49.5 Favored 'General case' 0 N--CA 1.5 2.029 0 O-C-N 121.499 -0.751 . . . . 0.0 109.042 -179.819 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -59.95 161.08 6.99 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.181 -0.95 . . . . 0.0 109.06 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -63.28 167.47 5.2 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.178 -0.951 . . . . 0.0 109.297 -179.901 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 44.1 mm -77.78 112.04 15.29 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.499 0 O-C-N 121.179 -0.951 . . . . 0.0 110.177 -178.64 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 21.3 ttpp -91.2 -76.25 0.45 Allowed 'General case' 0 N--CA 1.492 1.67 0 N-CA-C 108.921 -0.77 . . . . 0.0 108.921 179.488 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 42.5 mt-10 -101.53 148.53 25.09 Favored 'General case' 0 N--CA 1.499 2.001 0 O-C-N 121.299 -0.876 . . . . 0.0 109.667 179.691 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 37.4 tt0 -60.18 -27.85 67.47 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.356 -0.84 . . . . 0.0 109.305 179.79 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 66.0 mm-40 -54.53 -40.07 68.26 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.393 -0.817 . . . . 0.0 109.462 -179.137 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 53.0 t -59.99 -45.56 95.21 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.408 0 O-C-N 121.156 -0.965 . . . . 0.0 108.906 -179.928 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 76.3 t -61.65 -45.13 99.31 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.548 0 O-C-N 121.446 -0.784 . . . . 0.0 109.366 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 96.2 m-20 -60.61 -40.04 90.42 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.1 -1.0 . . . . 0.0 110.002 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 35.7 ttpt -65.57 -40.04 92.33 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.161 -0.962 . . . . 0.0 109.907 -179.566 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 62.0 t -67.39 -48.37 77.78 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.634 0 O-C-N 121.233 -0.917 . . . . 0.0 109.822 -179.3 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 99.7 mtp -68.68 -39.97 80.31 Favored 'General case' 0 N--CA 1.494 1.741 0 O-C-N 121.267 -0.896 . . . . 0.0 110.361 -179.135 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 54.5 tp10 -64.58 -39.95 94.66 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.345 -0.847 . . . . 0.0 110.89 -178.814 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 92.5 m -68.51 -49.98 55.6 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 120.984 -1.073 . . . . 0.0 111.08 -178.418 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 27.4 tp -78.86 -59.17 2.89 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.121 -0.987 . . . . 0.0 110.839 -178.325 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . 0.437 ' OD1' ' N ' ' A' ' 64' ' ' GLY . 16.0 t0 -81.47 89.66 6.17 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 121.217 -0.927 . . . . 0.0 110.677 -177.451 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 43.0 tt0 -69.75 -40.05 76.38 Favored 'General case' 0 C--N 1.302 -1.459 0 O-C-N 121.346 -0.847 . . . . 0.0 109.02 179.091 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 28.2 p-10 -98.39 16.46 21.58 Favored 'General case' 0 N--CA 1.494 1.764 0 O-C-N 121.337 -0.852 . . . . 0.0 109.96 -179.273 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . 0.446 ' O ' ' OD1' ' A' ' 65' ' ' ASP . . . -48.08 -27.94 5.55 Favored Glycine 0 N--CA 1.493 2.464 0 N-CA-C 110.01 -1.236 . . . . 0.0 110.01 -179.265 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . 0.446 ' OD1' ' O ' ' A' ' 64' ' ' GLY . 2.3 p-10 45.5 26.92 0.34 Allowed 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.352 -1.087 . . . . 0.0 109.971 179.773 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 83.05 -1.31 88.91 Favored Glycine 0 N--CA 1.492 2.425 0 N-CA-C 110.227 -1.149 . . . . 0.0 110.227 179.429 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . 0.406 ' OE2' ' C ' ' A' ' 68' ' ' CYS . 4.0 tm-20 -140.06 137.37 34.5 Favored 'General case' 0 N--CA 1.497 1.909 0 O-C-N 121.15 -1.206 . . . . 0.0 109.194 179.842 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' CYS . . . . . 0.406 ' C ' ' OE2' ' A' ' 67' ' ' GLU . 8.6 m -109.93 133.99 52.57 Favored 'General case' 0 N--CA 1.499 2.011 0 O-C-N 121.504 -0.748 . . . . 0.0 109.984 -179.123 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 84.4 m-20 -89.37 170.55 10.46 Favored 'General case' 0 N--CA 1.495 1.776 0 O-C-N 121.412 -0.805 . . . . 0.0 110.155 -179.864 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 9.1 t80 -57.81 -45.33 86.25 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.455 -0.778 . . . . 0.0 109.048 -179.417 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 30.4 tt0 -60.53 -41.07 93.67 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 121.127 -0.983 . . . . 0.0 108.911 179.467 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . 0.401 ' OE1' ' OD1' ' A' ' 61' ' ' ASP . 43.8 mt-10 -64.41 -40.05 95.03 Favored 'General case' 0 N--CA 1.49 1.546 0 N-CA-C 108.768 -0.827 . . . . 0.0 108.768 179.632 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 36.1 t80 -60.32 -40.02 89.11 Favored 'General case' 0 N--CA 1.488 1.473 0 N-CA-C 109.079 -0.712 . . . . 0.0 109.079 179.033 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 10.7 tpt -60.03 -39.92 87.54 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 121.268 -0.895 . . . . 0.0 109.283 -179.399 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . 0.427 ' O ' ' OG ' ' A' ' 78' ' ' SER . . . -60.08 -38.18 82.12 Favored 'General case' 0 N--CA 1.495 1.804 0 O-C-N 121.353 -0.842 . . . . 0.0 110.38 179.853 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 63.6 t80 -60.03 -39.1 84.7 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.168 -0.958 . . . . 0.0 109.221 -178.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 54.4 t -60.03 -40.04 82.05 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.527 0 O-C-N 121.304 -0.873 . . . . 0.0 109.227 -179.866 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' SER . . . . . 0.427 ' OG ' ' O ' ' A' ' 75' ' ' ALA . 86.3 p -59.93 -39.93 87.19 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.083 -1.011 . . . . 0.0 110.507 -179.081 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 48.6 ttm -60.06 -42.14 93.85 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 120.897 -1.127 . . . . 0.0 109.735 -179.912 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 54.4 t -60.6 -42.37 91.41 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.494 0 O-C-N 121.221 -0.924 . . . . 0.0 109.695 -179.489 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 94.6 m -62.97 -49.14 75.88 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.149 -0.969 . . . . 0.0 109.899 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 75.3 p -72.55 -39.38 67.51 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.167 -0.958 . . . . 0.0 109.882 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . 0.584 ' O ' ' N ' ' A' ' 85' ' ' HIS . . . -53.21 -19.94 3.55 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.318 -0.864 . . . . 0.0 110.211 -179.151 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 51.7 t -51.09 85.76 0.0 OUTLIER 'General case' 0 N--CA 1.494 1.752 0 O-C-N 121.34 -0.85 . . . . 0.0 109.722 -179.611 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' HIS . . . . . 0.584 ' N ' ' O ' ' A' ' 83' ' ' ALA . 85.5 t60 -69.01 -40.37 78.72 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.446 -0.784 . . . . 0.0 110.044 -179.559 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -89.75 125.73 35.4 Favored 'General case' 0 N--CA 1.496 1.829 0 O-C-N 121.332 -0.855 . . . . 0.0 110.367 -179.159 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -94.86 154.63 17.15 Favored 'General case' 0 N--CA 1.497 1.892 0 O-C-N 121.238 -0.914 . . . . 0.0 109.166 179.306 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 83.9 m-85 -83.7 -0.26 50.03 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.476 -0.765 . . . . 0.0 109.014 -179.85 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 50.0 mt-10 -63.57 117.71 7.16 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.313 -0.867 . . . . 0.0 109.406 -179.67 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 12.8 m-70 -77.12 150.84 35.57 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.216 -0.927 . . . . 0.0 109.355 179.768 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . 0.55 ' H ' ' CD ' ' A' ' 91' ' ' GLU . 0.7 OUTLIER . . . . . 0 N--CA 1.492 1.674 0 CA-C-O 118.038 -0.982 . . . . 0.0 109.242 179.707 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 0' ' ' MET . . . . . . . . . . . . . 3.4 mmt . . . . . 0 N--CA 1.491 1.578 0 CA-C-O 121.323 0.582 . . . . 0.0 109.453 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 33.3 p -72.07 -6.88 45.62 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.28 -0.887 . . . . 0.0 109.917 -179.715 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 48.8 mt-10 -60.02 -28.37 67.67 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.288 -0.882 . . . . 0.0 110.635 -179.558 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 3' ' ' LEU . . . . . 0.502 ' O ' ' SD ' ' B' ' 7' ' ' MET . 1.4 mp -54.21 -50.6 66.73 Favored 'General case' 0 N--CA 1.494 1.752 0 O-C-N 120.648 -1.283 . . . . 0.0 108.924 -179.659 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 4' ' ' GLU . . . . . 0.407 ' CG ' ' OE1' ' A' ' 39' ' ' GLU . 61.8 mm-40 -60.03 -41.2 91.72 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 120.989 -1.069 . . . . 0.0 110.217 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 28.2 tptt -60.34 -39.95 88.93 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.241 -0.912 . . . . 0.0 109.406 -179.115 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -62.48 -50.13 72.63 Favored 'General case' 0 N--CA 1.494 1.736 0 O-C-N 121.396 -0.815 . . . . 0.0 110.794 -179.349 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 7' ' ' MET . . . . . 0.502 ' SD ' ' O ' ' B' ' 3' ' ' LEU . 3.5 mpp? -60.27 -40.29 89.86 Favored 'General case' 0 N--CA 1.496 1.844 0 O-C-N 120.858 -1.151 . . . . 0.0 109.821 -179.515 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 58.0 t -61.0 -40.05 84.27 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.464 0 O-C-N 121.224 -0.922 . . . . 0.0 109.8 -179.398 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -66.36 -40.91 90.07 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.193 -0.942 . . . . 0.0 110.292 -179.564 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 49.0 mt -64.27 -42.05 96.62 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 121.113 -0.992 . . . . 0.0 110.498 -179.407 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 96.8 mt -69.34 -47.45 73.17 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.676 0 O-C-N 121.019 -1.05 . . . . 0.0 110.319 -179.367 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 9.3 t0 -61.53 -40.07 93.31 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.131 -0.98 . . . . 0.0 110.596 -179.214 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 53.9 t -67.04 -40.91 86.52 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.678 0 O-C-N 121.028 -1.045 . . . . 0.0 110.572 -178.906 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 14' ' ' PHE . . . . . . . . . . . . . 58.7 t80 -60.08 -46.76 88.5 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 120.746 -1.221 . . . . 0.0 110.14 -178.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 86.1 t60 -59.96 -41.54 92.17 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.348 -0.845 . . . . 0.0 111.718 -179.074 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 97.6 mt-30 -61.09 -50.5 73.03 Favored 'General case' 0 N--CA 1.495 1.79 0 O-C-N 120.775 -1.203 . . . . 0.0 111.148 -178.155 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 53.5 m-85 -70.09 -39.16 75.74 Favored 'General case' 0 N--CA 1.495 1.778 0 O-C-N 120.984 -1.072 . . . . 0.0 110.571 -179.609 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 60.2 p -60.04 -41.17 91.71 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.032 -1.043 . . . . 0.0 109.722 -179.143 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -75.4 -40.87 31.99 Favored Glycine 0 N--CA 1.488 2.133 0 N-CA-C 109.994 -1.242 . . . . 0.0 109.994 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 2.7 tpm_? -59.97 -43.64 94.95 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.109 -1.23 . . . . 0.0 109.798 -179.493 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 21' ' ' GLU . . . . . 0.457 ' CD ' ' N ' ' B' ' 22' ' ' GLY . 15.2 tm-20 -169.19 147.69 3.83 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.072 -1.017 . . . . 0.0 109.774 -179.689 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 22' ' ' GLY . . . . . 0.457 ' N ' ' CD ' ' B' ' 21' ' ' GLU . . . 99.88 69.79 0.91 Allowed Glycine 0 N--CA 1.494 2.554 0 N-CA-C 109.497 -1.441 . . . . 0.0 109.497 179.778 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 23' ' ' ASP . . . . . 0.488 ' OD2' ' NZ ' ' B' ' 28' ' ' LYS . 81.3 m-20 51.15 177.95 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.39 -1.065 . . . . 0.0 109.915 179.864 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 9.2 mtmp? -95.75 -31.62 13.12 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 121.449 -0.782 . . . . 0.0 110.484 -179.309 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 25' ' ' HIS . . . . . 0.479 ' N ' ' ND1' ' B' ' 25' ' ' HIS . 12.4 p-80 -134.59 20.75 3.6 Favored 'General case' 0 N--CA 1.499 1.983 0 O-C-N 121.282 -0.886 . . . . 0.0 110.662 -178.739 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 25.1 mtpp -134.16 151.83 51.54 Favored 'General case' 0 N--CA 1.5 2.073 0 O-C-N 121.197 -0.939 . . . . 0.0 108.919 179.871 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 11.9 tp -99.84 128.34 45.94 Favored 'General case' 0 N--CA 1.498 1.953 0 O-C-N 121.154 -0.966 . . . . 0.0 109.373 -179.186 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 28' ' ' LYS . . . . . 0.488 ' NZ ' ' OD2' ' B' ' 23' ' ' ASP . 30.3 mmtm -106.24 173.91 6.11 Favored 'General case' 0 N--CA 1.498 1.954 0 O-C-N 121.427 -0.795 . . . . 0.0 109.635 179.897 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 65.7 mttm -60.05 -39.08 84.73 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.508 -0.745 . . . . 0.0 110.45 -179.193 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 55.3 m -60.04 -39.96 87.71 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.27 -0.894 . . . . 0.0 110.394 -177.812 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -67.33 -40.69 85.94 Favored 'General case' 0 C--N 1.302 -1.475 0 O-C-N 120.817 -1.177 . . . . 0.0 109.563 179.852 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 35.8 tp -61.26 -49.34 77.48 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.265 -0.897 . . . . 0.0 109.28 179.836 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 13.8 ttmm -59.96 -43.85 94.79 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.358 -0.839 . . . . 0.0 110.087 -178.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 34' ' ' GLU . . . . . 0.467 ' O ' ' ND2' ' B' ' 38' ' ' ASN . 68.1 mm-40 -70.01 -39.85 75.58 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.222 -0.923 . . . . 0.0 109.674 179.767 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 61.7 tp -60.02 -46.55 89.14 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.254 -0.904 . . . . 0.0 109.925 -179.12 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 96.2 mt -64.4 -40.01 87.58 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.624 0 O-C-N 121.024 -1.047 . . . . 0.0 109.548 179.892 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 37' ' ' ASN . . . . . 0.428 ' O ' ' O ' ' B' ' 38' ' ' ASN . 14.9 t-20 -65.27 -32.32 73.92 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.311 -0.868 . . . . 0.0 110.598 -179.586 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 38' ' ' ASN . . . . . 0.467 ' ND2' ' O ' ' B' ' 34' ' ' GLU . 4.1 m120 -41.6 -95.28 0.0 OUTLIER 'General case' 0 N--CA 1.497 1.877 0 O-C-N 121.255 -0.903 . . . . 0.0 111.078 -178.589 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 45.6 tt0 -111.06 -26.43 9.24 Favored 'General case' 0 N--CA 1.502 2.146 0 O-C-N 121.193 -0.942 . . . . 0.0 109.994 -179.375 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 77.4 mt -61.31 121.98 13.96 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 120.889 -1.132 . . . . 0.0 108.859 -179.201 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 41' ' ' SER . . . . . 0.464 ' O ' ' O ' ' B' ' 44' ' ' LEU . 53.1 p -164.56 -44.87 0.03 OUTLIER 'General case' 0 C--N 1.304 -1.408 0 O-C-N 121.526 -0.733 . . . . 0.0 109.226 -179.567 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 42' ' ' HIS . . . . . . . . . . . . . 55.0 t-80 -60.1 -45.45 92.9 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 120.925 -1.11 . . . . 0.0 109.193 179.778 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 44.0 m-85 -64.68 -43.41 93.63 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.326 -0.859 . . . . 0.0 109.993 -179.862 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 44' ' ' LEU . . . . . 0.464 ' O ' ' O ' ' B' ' 41' ' ' SER . 33.5 mt -131.99 141.69 49.36 Favored 'General case' 0 N--CA 1.499 1.984 0 O-C-N 121.442 -0.786 . . . . 0.0 109.215 -179.656 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -60.01 160.59 7.75 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.241 -0.912 . . . . 0.0 109.027 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -63.03 167.49 4.8 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.178 -0.952 . . . . 0.0 109.283 -179.885 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 42.3 mm -77.85 112.21 15.56 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.573 0 O-C-N 121.27 -0.894 . . . . 0.0 110.161 -178.502 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 21.2 ttpp -91.36 -76.16 0.45 Allowed 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.465 -0.772 . . . . 0.0 108.966 179.515 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -101.62 148.64 24.99 Favored 'General case' 0 N--CA 1.5 2.056 0 O-C-N 121.288 -0.883 . . . . 0.0 109.795 179.573 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 37.6 tt0 -60.02 -28.19 67.54 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.27 -0.894 . . . . 0.0 109.363 179.787 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 66.1 mm-40 -54.35 -40.0 67.66 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.265 -0.897 . . . . 0.0 109.425 -179.112 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 54.0 t -59.98 -45.78 94.91 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.469 0 O-C-N 121.142 -0.974 . . . . 0.0 108.887 -179.855 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 76.5 t -61.66 -44.78 99.24 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.422 0 O-C-N 121.413 -0.804 . . . . 0.0 109.481 -179.898 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 96.1 m-20 -61.16 -40.15 92.81 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.164 -0.96 . . . . 0.0 110.045 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 35.5 ttpt -65.37 -40.08 93.09 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.139 -0.976 . . . . 0.0 109.851 -179.62 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 70.1 t -67.36 -47.48 80.91 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.59 0 O-C-N 121.213 -0.93 . . . . 0.0 110.069 -179.338 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 57' ' ' MET . . . . . . . . . . . . . 99.3 mtp -69.66 -40.0 76.73 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.249 -0.907 . . . . 0.0 110.171 -179.208 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 54.2 tp10 -64.47 -40.12 95.09 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.3 -0.875 . . . . 0.0 110.878 -178.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 94.3 m -67.81 -50.06 58.86 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.037 -1.039 . . . . 0.0 111.235 -178.472 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 16.4 tp -80.03 -58.84 2.96 Favored 'General case' 0 C--N 1.299 -1.607 0 O-C-N 121.211 -0.931 . . . . 0.0 110.978 -178.176 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 61' ' ' ASP . . . . . 0.432 ' OD1' ' N ' ' B' ' 64' ' ' GLY . 17.7 t0 -81.37 89.21 6.09 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.183 -0.948 . . . . 0.0 110.669 -177.727 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 43.9 tt0 -69.68 -39.99 76.65 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.369 -0.832 . . . . 0.0 109.057 179.197 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 28.3 p-10 -97.92 16.65 20.27 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 121.44 -0.788 . . . . 0.0 109.88 -179.505 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 64' ' ' GLY . . . . . 0.445 ' O ' ' OD1' ' B' ' 65' ' ' ASP . . . -48.34 -28.16 6.16 Favored Glycine 0 N--CA 1.492 2.376 0 N-CA-C 110.173 -1.171 . . . . 0.0 110.173 -179.124 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 65' ' ' ASP . . . . . 0.445 ' OD1' ' O ' ' B' ' 64' ' ' GLY . 2.2 p-10 45.66 26.95 0.38 Allowed 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.347 -1.09 . . . . 0.0 110.005 179.808 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 82.48 -0.35 89.23 Favored Glycine 0 N--CA 1.494 2.548 0 N-CA-C 110.131 -1.188 . . . . 0.0 110.131 179.441 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 67' ' ' GLU . . . . . 0.404 ' OE2' ' C ' ' B' ' 68' ' ' CYS . 4.0 tm-20 -140.41 136.97 33.62 Favored 'General case' 0 N--CA 1.498 1.94 0 O-C-N 121.198 -1.178 . . . . 0.0 109.236 179.893 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 68' ' ' CYS . . . . . 0.404 ' C ' ' OE2' ' B' ' 67' ' ' GLU . 11.2 m -109.61 134.01 52.44 Favored 'General case' 0 N--CA 1.501 2.09 0 O-C-N 121.566 -0.709 . . . . 0.0 110.051 -179.286 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 84.5 m-20 -89.69 170.43 10.45 Favored 'General case' 0 N--CA 1.496 1.838 0 O-C-N 121.351 -0.843 . . . . 0.0 110.064 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 8.8 t80 -57.66 -45.3 85.7 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.382 -0.824 . . . . 0.0 109.089 -179.446 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 30.6 tt0 -60.93 -40.65 94.03 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.135 -0.978 . . . . 0.0 108.983 179.583 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 72' ' ' GLU . . . . . 0.416 ' OE1' ' OD2' ' B' ' 61' ' ' ASP . 43.7 mt-10 -64.72 -39.97 94.55 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.307 -0.87 . . . . 0.0 108.774 179.674 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 73' ' ' PHE . . . . . . . . . . . . . 33.1 t80 -60.26 -39.89 88.38 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.605 -0.684 . . . . 0.0 109.199 178.913 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 74' ' ' MET . . . . . . . . . . . . . 10.5 tpt -60.07 -39.96 87.86 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.44 -0.787 . . . . 0.0 109.215 -179.477 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 75' ' ' ALA . . . . . 0.425 ' O ' ' OG ' ' B' ' 78' ' ' SER . . . -60.06 -38.1 81.83 Favored 'General case' 0 N--CA 1.495 1.811 0 O-C-N 121.323 -0.861 . . . . 0.0 110.426 179.75 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 64.3 t80 -60.08 -39.14 85.06 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.173 -0.955 . . . . 0.0 109.108 -179.006 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 77' ' ' VAL . . . . . . . . . . . . . 54.5 t -60.05 -39.95 81.81 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.528 0 O-C-N 121.218 -0.926 . . . . 0.0 109.343 -179.891 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 78' ' ' SER . . . . . 0.425 ' OG ' ' O ' ' B' ' 75' ' ' ALA . 85.9 p -59.97 -40.04 87.74 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.178 -0.951 . . . . 0.0 110.495 -179.252 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 79' ' ' MET . . . . . . . . . . . . . 48.1 ttm -59.96 -42.56 94.34 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 120.886 -1.134 . . . . 0.0 109.708 -179.849 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 54.5 t -60.01 -42.43 89.6 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.54 0 O-C-N 121.273 -0.892 . . . . 0.0 109.787 -179.529 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 94.5 m -62.86 -49.22 75.74 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.042 -1.036 . . . . 0.0 109.997 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 79.9 p -72.73 -39.47 66.87 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.2 -0.938 . . . . 0.0 109.844 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 83' ' ' ALA . . . . . 0.575 ' O ' ' N ' ' B' ' 85' ' ' HIS . . . -53.11 -20.02 3.38 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.366 -0.833 . . . . 0.0 110.196 -179.318 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 84' ' ' CYS . . . . . . . . . . . . . 49.0 t -51.02 85.84 0.0 OUTLIER 'General case' 0 N--CA 1.495 1.823 0 O-C-N 121.247 -0.908 . . . . 0.0 109.705 -179.562 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 85' ' ' HIS . . . . . 0.575 ' N ' ' O ' ' B' ' 83' ' ' ALA . 85.3 t60 -69.07 -40.46 78.46 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.364 -0.835 . . . . 0.0 110.079 -179.529 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -89.61 126.21 35.53 Favored 'General case' 0 N--CA 1.496 1.827 0 O-C-N 121.331 -0.855 . . . . 0.0 110.256 -179.118 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 87' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -95.09 154.48 17.16 Favored 'General case' 0 N--CA 1.496 1.849 0 O-C-N 121.331 -0.855 . . . . 0.0 109.271 179.183 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 86.0 m-85 -83.41 0.48 45.93 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.421 -0.799 . . . . 0.0 109.169 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 49.5 mt-10 -65.18 113.22 3.83 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.338 -0.852 . . . . 0.0 110.113 -179.234 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 90' ' ' HIS . . . . . . . . . . . . . 11.6 m-70 -71.01 150.02 46.04 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.195 -0.941 . . . . 0.0 110.131 178.921 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 91' ' ' GLU . . . . . 0.551 ' CD ' ' H ' ' B' ' 91' ' ' GLU . 0.6 OUTLIER . . . . . 0 N--CA 1.493 1.724 0 CA-C-O 118.016 -0.992 . . . . 0.0 109.138 179.16 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 92' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 93' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 28.3 ttt . . . . . 0 N--CA 1.492 1.662 0 N-CA-C 109.379 -0.6 . . . . 0.0 109.379 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 80.6 p -75.19 168.38 20.1 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.479 -0.763 . . . . 0.0 110.016 -179.773 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 95.8 mt-10 -60.09 -39.44 86.14 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.509 -0.745 . . . . 0.0 109.55 179.538 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -60.1 -42.73 95.28 Favored 'General case' 0 C--N 1.301 -1.521 0 O-C-N 121.205 -0.935 . . . . 0.0 108.701 -179.352 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 78.9 mm-40 -60.26 -43.46 96.12 Favored 'General case' 0 C--N 1.304 -1.411 0 O-C-N 121.193 -0.942 . . . . 0.0 109.297 179.852 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 36.4 ttmt -63.35 -40.16 96.52 Favored 'General case' 0 N--CA 1.487 1.417 0 O-C-N 121.378 -0.826 . . . . 0.0 109.428 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -60.08 -48.05 83.33 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.35 -0.844 . . . . 0.0 110.05 -179.439 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 8.7 ttp -60.2 -40.26 89.43 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 120.94 -1.1 . . . . 0.0 109.656 -179.934 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 53.6 t -65.53 -39.12 84.12 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.577 0 O-C-N 121.396 -0.815 . . . . 0.0 109.407 179.67 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.9 -40.21 87.98 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.281 -0.887 . . . . 0.0 110.414 -178.758 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 2.2 mm? -59.93 -43.52 94.88 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 120.498 -1.376 . . . . 0.0 109.186 179.884 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 94.6 mt -71.23 -47.17 61.87 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.64 0 O-C-N 120.922 -1.111 . . . . 0.0 110.532 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 45.7 t0 -68.99 -45.28 70.99 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.083 -1.011 . . . . 0.0 111.073 -178.895 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 53.6 t -60.97 -40.9 87.03 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.868 0 O-C-N 120.8 -1.188 . . . . 0.0 110.213 -179.093 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 55.2 t80 -59.87 -44.22 94.28 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.085 -1.009 . . . . 0.0 110.255 -178.802 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 56.9 t-80 -67.14 -39.61 86.59 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.335 -0.853 . . . . 0.0 111.333 -178.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 15.5 mm100 -59.91 -48.41 81.79 Favored 'General case' 0 N--CA 1.496 1.843 0 O-C-N 121.035 -1.041 . . . . 0.0 111.325 -178.151 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 50.4 m-85 -69.67 -40.07 76.62 Favored 'General case' 0 N--CA 1.496 1.836 0 O-C-N 120.624 -1.297 . . . . 0.0 110.601 -179.433 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 39.1 t -60.84 -43.0 98.86 Favored 'General case' 0 N--CA 1.494 1.762 0 O-C-N 120.904 -1.123 . . . . 0.0 111.174 -179.03 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -82.41 -2.85 90.68 Favored Glycine 0 N--CA 1.494 2.55 0 O-C-N 121.064 -1.022 . . . . 0.0 111.551 -178.515 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 2.3 ppt_? -60.1 -40.89 91.22 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 120.447 -1.62 . . . . 0.0 111.002 -178.036 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 88.9 tt0 -78.28 -40.28 37.45 Favored 'General case' 0 N--CA 1.496 1.852 0 O-C-N 120.464 -1.398 . . . . 0.0 109.819 179.786 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 151.28 -28.34 0.98 Allowed Glycine 0 N--CA 1.492 2.393 0 N-CA-C 109.304 -1.518 . . . . 0.0 109.304 -179.762 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 93.9 m-20 -96.45 110.96 23.23 Favored 'General case' 0 N--CA 1.497 1.895 0 O-C-N 121.354 -1.086 . . . . 0.0 108.854 179.678 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 16.5 pttm -100.06 98.84 9.53 Favored 'General case' 0 N--CA 1.499 1.983 0 O-C-N 121.324 -0.86 . . . . 0.0 110.056 -179.792 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 21.3 t-160 -177.78 -47.19 0.01 OUTLIER 'General case' 0 N--CA 1.495 1.8 0 O-C-N 121.294 -0.879 . . . . 0.0 110.196 179.484 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 48.6 pttt -146.27 161.78 39.53 Favored 'General case' 0 N--CA 1.496 1.849 0 O-C-N 121.193 -0.942 . . . . 0.0 110.076 -178.292 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 5.4 mp -105.84 141.99 36.31 Favored 'General case' 0 N--CA 1.497 1.888 0 O-C-N 121.35 -0.844 . . . . 0.0 109.224 -179.523 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -91.28 177.42 6.25 Favored 'General case' 0 N--CA 1.497 1.908 0 O-C-N 121.186 -0.947 . . . . 0.0 108.964 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 5.9 mtmp? -60.06 -45.99 91.02 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.136 -0.978 . . . . 0.0 110.546 -178.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 34.5 t -64.03 -44.51 92.34 Favored 'General case' 0 N--CA 1.494 1.755 0 O-C-N 120.983 -1.073 . . . . 0.0 110.04 -179.088 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 84.2 tt0 -70.04 -30.84 68.21 Favored 'General case' 0 C--N 1.298 -1.631 0 O-C-N 121.352 -0.842 . . . . 0.0 110.094 -179.697 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 59.5 tp -59.82 -50.0 75.52 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.371 -0.83 . . . . 0.0 110.576 -178.212 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.63 -37.32 83.57 Favored 'General case' 0 C--N 1.297 -1.685 0 O-C-N 121.023 -1.048 . . . . 0.0 109.681 -179.921 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . 0.468 ' O ' ' OD1' ' A' ' 38' ' ' ASN . 87.6 tt0 -60.22 -44.86 94.82 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 120.89 -1.131 . . . . 0.0 109.957 -179.451 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 18.0 tp -60.19 -40.41 89.95 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.44 -0.787 . . . . 0.0 109.284 -179.641 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 97.1 mt -69.94 -36.89 71.09 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.642 0 O-C-N 121.536 -0.728 . . . . 0.0 110.374 -179.785 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 52.7 t30 -59.44 -46.09 89.73 Favored 'General case' 0 N--CA 1.497 1.913 0 O-C-N 121.16 -0.962 . . . . 0.0 111.159 -177.806 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . 0.522 HD21 ' CD ' ' A' ' 39' ' ' GLU . 0.3 OUTLIER -79.68 -19.96 47.72 Favored 'General case' 0 N--CA 1.496 1.841 0 O-C-N 120.708 -1.245 . . . . 0.0 109.539 -179.962 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . 0.522 ' CD ' HD21 ' A' ' 38' ' ' ASN . 0.2 OUTLIER -86.92 -75.39 0.4 Allowed 'General case' 0 N--CA 1.496 1.841 0 O-C-N 121.112 -0.992 . . . . 0.0 109.221 179.796 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 5.5 mp -91.79 104.23 16.7 Favored 'General case' 0 N--CA 1.497 1.884 0 O-C-N 121.032 -1.042 . . . . 0.0 109.345 -179.713 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 94.4 p -101.93 -43.21 5.86 Favored 'General case' 0 N--CA 1.495 1.793 0 O-C-N 121.541 -0.724 . . . . 0.0 110.31 -179.836 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 73.0 t60 -124.48 -12.53 7.24 Favored 'General case' 0 N--CA 1.506 2.355 0 O-C-N 121.104 -0.998 . . . . 0.0 110.55 -179.474 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 41.4 t80 -66.9 -42.96 84.59 Favored 'General case' 0 N--CA 1.492 1.675 0 O-C-N 120.708 -1.245 . . . . 0.0 109.162 -179.874 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 10.4 tp -103.18 132.89 49.09 Favored 'General case' 0 N--CA 1.496 1.866 0 O-C-N 121.516 -0.74 . . . . 0.0 109.268 -179.668 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 86.8 tt0 -100.01 -10.12 21.95 Favored 'General case' 0 N--CA 1.495 1.792 0 O-C-N 121.266 -0.896 . . . . 0.0 109.885 -179.761 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . 0.41 ' HG3' ' H ' ' A' ' 47' ' ' ILE . 5.1 tp10 -78.35 -164.46 0.56 Allowed 'General case' 0 N--CA 1.495 1.788 0 O-C-N 120.791 -1.193 . . . . 0.0 110.803 -178.736 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . 0.41 ' H ' ' HG3' ' A' ' 46' ' ' GLU . 90.3 mt 56.57 72.6 0.1 Allowed 'Isoleucine or valine' 0 N--CA 1.497 1.888 0 O-C-N 121.536 -0.727 . . . . 0.0 109.211 -178.751 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 9.8 pttm -108.61 -42.85 4.42 Favored 'General case' 0 N--CA 1.501 2.108 0 O-C-N 121.476 -0.765 . . . . 0.0 109.678 179.926 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 14.9 mp0 -113.02 153.51 27.99 Favored 'General case' 0 N--CA 1.507 2.397 0 O-C-N 121.283 -0.885 . . . . 0.0 109.276 178.879 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 2.8 tm0? -60.25 -40.23 89.57 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.551 -0.718 . . . . 0.0 110.814 -179.624 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 4.5 pt-20 -60.19 -38.84 84.48 Favored 'General case' 0 N--CA 1.496 1.833 0 O-C-N 120.959 -1.088 . . . . 0.0 109.48 -179.629 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 54.0 t -60.05 -40.54 83.53 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.508 0 O-C-N 121.184 -0.948 . . . . 0.0 108.617 179.861 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 56.0 t -60.89 -40.54 85.65 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.785 0 O-C-N 121.321 -0.862 . . . . 0.0 109.684 179.348 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . 0.486 ' O ' ' OE1' ' A' ' 58' ' ' GLU . 93.5 m-20 -60.1 -41.25 92.14 Favored 'General case' 0 C--N 1.301 -1.534 0 O-C-N 121.256 -0.903 . . . . 0.0 109.987 -179.1 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 36.1 ttmt -60.72 -40.55 92.72 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.075 -1.015 . . . . 0.0 110.204 -179.67 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 62.6 t -60.82 -40.05 83.88 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.603 0 O-C-N 121.472 -0.767 . . . . 0.0 110.255 -179.234 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 33.3 ttm -60.19 -51.36 69.9 Favored 'General case' 0 N--CA 1.498 1.951 0 O-C-N 121.256 -0.903 . . . . 0.0 112.078 -178.679 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . 0.486 ' OE1' ' O ' ' A' ' 54' ' ' ASP . 10.8 mp0 -60.47 -40.1 90.05 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 120.958 -1.089 . . . . 0.0 109.457 -179.429 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 94.0 m -63.92 -49.51 72.34 Favored 'General case' 0 C--N 1.298 -1.635 0 C-N-CA 119.479 -0.888 . . . . 0.0 109.109 179.669 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 12.8 tp -69.19 -50.93 42.96 Favored 'General case' 0 C--N 1.303 -1.425 0 O-C-N 121.555 -0.716 . . . . 0.0 109.722 179.896 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 19.4 m-20 -81.87 105.99 13.44 Favored 'General case' 0 N--CA 1.495 1.805 0 O-C-N 121.061 -1.024 . . . . 0.0 110.093 -179.538 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 53.8 tp10 -69.95 -34.86 73.98 Favored 'General case' 0 N--CA 1.496 1.862 0 O-C-N 121.238 -0.914 . . . . 0.0 109.139 179.31 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . 0.405 ' OD1' ' N ' ' A' ' 65' ' ' ASP . 6.8 p30 -83.62 -6.37 59.43 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.521 -0.737 . . . . 0.0 110.762 -179.394 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 51.19 48.25 47.49 Favored Glycine 0 N--CA 1.491 2.312 0 N-CA-C 109.612 -1.395 . . . . 0.0 109.612 -179.513 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . 0.405 ' N ' ' OD1' ' A' ' 63' ' ' ASP . 96.3 m-20 -69.95 -19.63 63.36 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 120.895 -1.356 . . . . 0.0 109.893 -179.796 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 89.55 -11.41 70.16 Favored Glycine 0 N--CA 1.497 2.718 0 C-N-CA 120.166 -1.016 . . . . 0.0 110.563 178.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 -134.81 148.97 50.31 Favored 'General case' 0 N--CA 1.498 1.956 0 O-C-N 121.26 -1.141 . . . . 0.0 108.894 -179.849 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 7.9 p -106.2 118.46 36.69 Favored 'General case' 0 N--CA 1.5 2.06 0 O-C-N 121.331 -0.856 . . . . 0.0 110.48 -178.936 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 22.9 p30 -89.38 -177.78 5.44 Favored 'General case' 0 N--CA 1.498 1.93 0 O-C-N 121.06 -1.025 . . . . 0.0 108.838 178.576 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 70.7 t80 -60.2 -46.94 88.01 Favored 'General case' 0 N--CA 1.494 1.74 0 O-C-N 121.094 -1.004 . . . . 0.0 111.319 -178.565 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 1.4 pt20 -60.21 -50.05 75.2 Favored 'General case' 0 N--CA 1.495 1.779 0 O-C-N 120.82 -1.175 . . . . 0.0 110.009 -178.785 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 94.4 mt-10 -61.06 -37.26 82.05 Favored 'General case' 0 N--CA 1.497 1.88 0 O-C-N 120.795 -1.191 . . . . 0.0 109.192 179.131 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 89.0 t80 -59.86 -44.46 94.14 Favored 'General case' 0 N--CA 1.488 1.464 0 O-C-N 121.355 -0.841 . . . . 0.0 109.483 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 4.3 ttt -61.76 -37.73 85.4 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.212 -0.93 . . . . 0.0 109.273 179.559 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -59.33 -39.83 84.39 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.257 -0.902 . . . . 0.0 109.001 -179.831 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 62.6 t80 -60.28 -49.13 78.82 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.199 -0.938 . . . . 0.0 109.236 179.396 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 56.7 t -62.57 -45.7 98.17 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.491 0 O-C-N 121.335 -0.853 . . . . 0.0 109.338 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 53.1 m -62.73 -42.5 99.69 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.576 -0.703 . . . . 0.0 109.889 -179.819 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 5.9 ttp -61.9 -48.94 78.24 Favored 'General case' 0 N--CA 1.494 1.758 0 O-C-N 121.116 -0.99 . . . . 0.0 109.243 179.843 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 78.7 t -68.33 -41.86 83.9 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.472 0 O-C-N 121.547 -0.721 . . . . 0.0 109.226 179.919 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 92.2 m -62.77 -40.05 96.07 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.252 -0.905 . . . . 0.0 109.557 -179.685 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 93.2 m -69.57 -41.69 75.51 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.347 -0.846 . . . . 0.0 110.793 -179.425 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -62.87 -48.11 80.45 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 120.977 -1.077 . . . . 0.0 109.451 -179.457 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' CYS . . . . . 0.498 ' O ' ' SG ' ' A' ' 84' ' ' CYS . 28.0 p -80.03 105.44 11.31 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.181 -0.949 . . . . 0.0 108.94 179.69 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 6.8 t60 -61.56 -40.4 94.58 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.275 -0.891 . . . . 0.0 109.59 -179.589 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -152.49 -77.48 0.12 Allowed 'General case' 0 N--CA 1.496 1.867 0 N-CA-C 108.046 -1.094 . . . . 0.0 108.046 179.37 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER 59.78 18.78 7.62 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.423 -0.798 . . . . 0.0 109.42 179.212 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . 0.545 ' O ' ' CD1' ' A' ' 88' ' ' PHE . 0.2 OUTLIER -86.96 142.08 28.23 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.136 -0.978 . . . . 0.0 109.305 179.877 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . 0.517 ' O ' ' O ' ' A' ' 88' ' ' PHE . 11.7 pt-20 44.13 171.53 0.0 OUTLIER 'General case' 0 N--CA 1.503 2.179 0 CA-C-O 122.511 1.148 . . . . 0.0 112.308 -179.738 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -77.93 159.14 29.04 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.342 -0.849 . . . . 0.0 109.849 -179.555 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 40.7 mt-10 . . . . . 0 N--CA 1.492 1.666 0 CA-C-O 117.944 -1.027 . . . . 0.0 109.423 179.179 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 0' ' ' MET . . . . . 0.403 ' H1 ' ' H ' ' B' ' 1' ' ' SER . 27.7 ttt . . . . . 0 N--CA 1.491 1.613 0 N-CA-C 108.913 -0.773 . . . . 0.0 108.913 . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 1' ' ' SER . . . . . 0.403 ' H ' ' H1 ' ' B' ' 0' ' ' MET . 77.2 p -76.4 169.4 18.31 Favored 'General case' 0 N--CA 1.488 1.455 0 O-C-N 121.472 -0.767 . . . . 0.0 109.905 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -60.67 -39.79 89.72 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.561 -0.712 . . . . 0.0 109.502 179.919 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -59.94 -41.59 92.16 Favored 'General case' 0 C--N 1.3 -1.581 0 O-C-N 121.183 -0.948 . . . . 0.0 108.922 -179.365 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 79.2 mm-40 -61.06 -44.83 96.8 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.326 -0.858 . . . . 0.0 109.187 179.819 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 36.8 ttmt -62.27 -39.91 94.5 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.371 -0.83 . . . . 0.0 109.69 179.49 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -60.17 -48.58 81.13 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.24 -0.912 . . . . 0.0 110.013 -179.462 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 7' ' ' MET . . . . . . . . . . . . . 7.5 ttp -59.92 -40.37 88.64 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 120.981 -1.075 . . . . 0.0 109.677 -179.786 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 54.2 t -65.41 -38.93 83.69 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.625 0 O-C-N 121.25 -0.906 . . . . 0.0 109.634 179.356 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.19 -40.59 86.2 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.231 -0.918 . . . . 0.0 110.35 -178.881 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -59.82 -43.6 94.46 Favored 'General case' 0 N--CA 1.496 1.861 0 O-C-N 120.634 -1.291 . . . . 0.0 109.511 179.878 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 94.4 mt -71.48 -47.27 59.57 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.621 0 O-C-N 120.971 -1.081 . . . . 0.0 110.298 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 45.4 t0 -69.39 -45.55 69.01 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.187 -0.946 . . . . 0.0 111.149 -178.936 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 70.5 t -60.31 -41.07 85.8 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.812 0 O-C-N 120.795 -1.191 . . . . 0.0 110.161 -179.15 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 14' ' ' PHE . . . . . . . . . . . . . 53.5 t80 -59.93 -45.17 93.46 Favored 'General case' 0 C--N 1.296 -1.729 0 O-C-N 121.086 -1.008 . . . . 0.0 110.382 -178.67 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 56.1 t-80 -65.89 -39.69 90.88 Favored 'General case' 0 C--N 1.297 -1.714 0 O-C-N 121.425 -0.797 . . . . 0.0 111.298 -179.034 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 15.3 mm100 -59.95 -49.21 78.59 Favored 'General case' 0 N--CA 1.498 1.929 0 O-C-N 120.866 -1.146 . . . . 0.0 111.254 -177.936 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 51.7 m-85 -68.86 -40.15 79.49 Favored 'General case' 0 N--CA 1.497 1.902 0 O-C-N 120.688 -1.258 . . . . 0.0 110.99 -179.209 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 42.4 t -60.86 -43.87 97.78 Favored 'General case' 0 N--CA 1.498 1.941 0 O-C-N 120.675 -1.265 . . . . 0.0 110.881 -178.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -81.43 -3.2 90.69 Favored Glycine 0 N--CA 1.491 2.353 0 O-C-N 121.117 -0.989 . . . . 0.0 111.66 -178.449 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 2.0 ppt_? -60.1 -41.23 92.08 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 120.574 -1.545 . . . . 0.0 110.86 -178.358 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 87.5 tt0 -77.66 -40.2 42.43 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 120.632 -1.293 . . . . 0.0 109.57 -179.807 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . 150.89 -28.24 1.02 Allowed Glycine 0 N--CA 1.493 2.437 0 N-CA-C 109.287 -1.525 . . . . 0.0 109.287 -179.572 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 94.7 m-20 -96.58 110.87 23.19 Favored 'General case' 0 N--CA 1.495 1.782 0 O-C-N 121.292 -1.122 . . . . 0.0 108.846 179.83 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 16.1 pttm -99.77 99.51 10.34 Favored 'General case' 0 N--CA 1.501 2.087 0 O-C-N 121.282 -0.886 . . . . 0.0 110.302 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 25' ' ' HIS . . . . . . . . . . . . . 21.4 t-160 -178.45 -47.95 0.01 OUTLIER 'General case' 0 N--CA 1.495 1.818 0 O-C-N 121.48 -0.762 . . . . 0.0 110.293 179.333 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 48.9 pttt -146.27 161.08 41.06 Favored 'General case' 0 N--CA 1.496 1.828 0 O-C-N 121.288 -0.883 . . . . 0.0 110.057 -178.096 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 5.4 mp -104.78 142.01 35.47 Favored 'General case' 0 N--CA 1.5 2.038 0 O-C-N 121.332 -0.855 . . . . 0.0 109.798 -179.482 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -90.42 176.82 6.57 Favored 'General case' 0 N--CA 1.498 1.947 0 O-C-N 121.141 -0.974 . . . . 0.0 109.106 179.636 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 5.9 mtmp? -59.93 -47.11 87.11 Favored 'General case' 0 N--CA 1.495 1.789 0 O-C-N 120.991 -1.068 . . . . 0.0 110.493 -178.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 47.3 t -62.85 -44.32 96.45 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 121.081 -1.012 . . . . 0.0 109.994 -179.21 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 86.4 tt0 -70.03 -31.95 69.85 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.398 -0.814 . . . . 0.0 110.217 -179.761 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 69.0 tp -59.87 -49.94 75.72 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.16 -0.962 . . . . 0.0 110.122 -178.178 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.59 -38.29 84.15 Favored 'General case' 0 C--N 1.302 -1.484 0 O-C-N 120.971 -1.08 . . . . 0.0 109.74 179.764 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 34' ' ' GLU . . . . . 0.466 ' O ' ' OD1' ' B' ' 38' ' ' ASN . 88.0 tt0 -60.19 -44.23 95.26 Favored 'General case' 0 N--CA 1.494 1.769 0 O-C-N 120.964 -1.085 . . . . 0.0 110.063 -179.578 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 21.1 tp -60.07 -41.27 92.06 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 121.349 -0.845 . . . . 0.0 109.167 -179.682 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 96.7 mt -69.65 -35.93 68.18 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.6 0 O-C-N 121.57 -0.706 . . . . 0.0 110.532 -179.609 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 52.6 t30 -59.77 -46.69 88.41 Favored 'General case' 0 N--CA 1.498 1.938 0 O-C-N 121.018 -1.051 . . . . 0.0 111.404 -177.737 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 38' ' ' ASN . . . . . 0.503 HD21 ' CD ' ' B' ' 39' ' ' GLU . 0.3 OUTLIER -79.76 -17.38 53.6 Favored 'General case' 0 N--CA 1.498 1.957 0 O-C-N 120.705 -1.247 . . . . 0.0 109.86 -179.866 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' B' B ' 39' ' ' GLU . . . . . 0.503 ' CD ' HD21 ' B' ' 38' ' ' ASN . 0.2 OUTLIER -88.53 -74.98 0.44 Allowed 'General case' 0 N--CA 1.496 1.851 0 O-C-N 120.854 -1.154 . . . . 0.0 109.04 179.641 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 5.5 mp -93.45 103.65 15.84 Favored 'General case' 0 N--CA 1.497 1.897 0 O-C-N 121.208 -0.932 . . . . 0.0 109.215 -179.594 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 54.2 p -100.97 -42.69 6.31 Favored 'General case' 0 N--CA 1.496 1.837 0 O-C-N 121.337 -0.852 . . . . 0.0 110.261 179.862 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 42' ' ' HIS . . . . . . . . . . . . . 70.7 t60 -124.35 -12.14 7.34 Favored 'General case' 0 N--CA 1.503 2.216 0 O-C-N 121.332 -0.855 . . . . 0.0 110.495 -178.918 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 43.8 t80 -67.5 -43.08 81.75 Favored 'General case' 0 N--CA 1.496 1.828 0 O-C-N 120.739 -1.226 . . . . 0.0 108.899 -179.587 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 7.9 tp -103.66 132.57 49.79 Favored 'General case' 0 N--CA 1.494 1.752 0 N-CA-C 109.104 -0.702 . . . . 0.0 109.104 -179.621 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 86.8 tt0 -99.7 -10.45 21.91 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.435 -0.79 . . . . 0.0 109.787 -179.577 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 46' ' ' GLU . . . . . 0.429 ' HG3' ' H ' ' B' ' 47' ' ' ILE . 5.4 tp10 -78.32 -164.21 0.53 Allowed 'General case' 0 N--CA 1.493 1.694 0 O-C-N 120.597 -1.314 . . . . 0.0 110.536 -178.659 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 47' ' ' ILE . . . . . 0.429 ' H ' ' HG3' ' B' ' 46' ' ' GLU . 87.4 mt 56.84 72.59 0.1 Allowed 'Isoleucine or valine' 0 N--CA 1.496 1.861 0 O-C-N 121.499 -0.751 . . . . 0.0 109.19 -178.909 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 8.9 pttm -108.8 -43.77 4.17 Favored 'General case' 0 N--CA 1.501 2.12 0 O-C-N 121.493 -0.754 . . . . 0.0 109.93 -179.89 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 13.7 mp0 -111.8 153.84 25.97 Favored 'General case' 0 N--CA 1.506 2.345 0 O-C-N 121.384 -0.822 . . . . 0.0 109.325 179.083 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 3.9 tm0? -60.43 -40.53 91.42 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.605 -0.684 . . . . 0.0 110.573 -179.724 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 4.3 pt-20 -59.98 -39.1 84.52 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 121.07 -1.019 . . . . 0.0 109.527 -179.683 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 56.0 t -60.19 -40.57 83.97 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.375 0 O-C-N 121.252 -0.905 . . . . 0.0 108.698 179.685 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 55.5 t -60.66 -40.4 84.61 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.635 0 O-C-N 121.237 -0.915 . . . . 0.0 109.843 178.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 54' ' ' ASP . . . . . 0.499 ' O ' ' OE1' ' B' ' 58' ' ' GLU . 92.7 m-20 -60.16 -41.4 92.75 Favored 'General case' 0 N--CA 1.487 1.415 0 C-N-CA 119.215 -0.994 . . . . 0.0 109.644 -178.357 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 35.4 ttmt -59.97 -40.71 90.02 Favored 'General case' 0 N--CA 1.494 1.742 0 O-C-N 121.055 -1.028 . . . . 0.0 110.145 -179.52 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 54.2 t -60.84 -39.96 83.61 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.633 0 O-C-N 121.396 -0.815 . . . . 0.0 110.512 -179.125 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 57' ' ' MET . . . . . . . . . . . . . 31.7 ttm -60.18 -51.44 69.57 Favored 'General case' 0 N--CA 1.496 1.864 0 O-C-N 121.306 -0.871 . . . . 0.0 111.741 -178.53 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 58' ' ' GLU . . . . . 0.499 ' OE1' ' O ' ' B' ' 54' ' ' ASP . 9.8 mp0 -59.96 -40.37 88.82 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 120.98 -1.075 . . . . 0.0 109.434 -179.724 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 95.2 m -63.99 -49.98 70.35 Favored 'General case' 0 C--N 1.301 -1.503 0 C-N-CA 119.499 -0.88 . . . . 0.0 109.16 179.847 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 13.9 tp -68.87 -50.76 47.04 Favored 'General case' 0 C--N 1.302 -1.483 0 O-C-N 121.468 -0.77 . . . . 0.0 109.533 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 18.8 m-20 -81.74 105.04 12.56 Favored 'General case' 0 N--CA 1.498 1.93 0 O-C-N 121.099 -1.001 . . . . 0.0 110.531 -179.597 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 53.9 tp10 -70.0 -33.33 71.89 Favored 'General case' 0 N--CA 1.498 1.956 0 O-C-N 121.278 -0.889 . . . . 0.0 109.444 179.316 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 7.8 p30 -85.68 -5.82 59.21 Favored 'General case' 0 N--CA 1.499 1.989 0 O-C-N 121.285 -0.884 . . . . 0.0 110.136 -179.492 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 49.55 49.53 32.92 Favored Glycine 0 N--CA 1.493 2.462 0 N-CA-C 109.47 -1.452 . . . . 0.0 109.47 -179.281 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 94.3 m-20 -70.05 -19.55 63.28 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 120.95 -1.323 . . . . 0.0 109.507 -179.734 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 89.93 -10.73 72.89 Favored Glycine 0 N--CA 1.497 2.716 0 N-CA-C 110.435 -1.066 . . . . 0.0 110.435 178.774 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -134.53 148.62 50.55 Favored 'General case' 0 N--CA 1.498 1.95 0 O-C-N 121.34 -1.094 . . . . 0.0 108.721 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 68' ' ' CYS . . . . . . . . . . . . . 11.4 p -106.67 118.9 37.89 Favored 'General case' 0 N--CA 1.5 2.035 0 O-C-N 121.286 -0.884 . . . . 0.0 110.362 -179.098 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 24.9 p30 -89.94 -178.32 5.43 Favored 'General case' 0 N--CA 1.495 1.802 0 O-C-N 121.133 -0.98 . . . . 0.0 108.804 178.853 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 76.7 t80 -59.62 -47.43 85.62 Favored 'General case' 0 N--CA 1.496 1.827 0 O-C-N 121.249 -0.907 . . . . 0.0 111.349 -178.514 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 1.5 pt20 -59.84 -48.7 80.61 Favored 'General case' 0 N--CA 1.494 1.74 0 O-C-N 120.667 -1.271 . . . . 0.0 109.973 -178.665 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 94.7 mt-10 -62.76 -36.67 83.82 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 120.802 -1.186 . . . . 0.0 109.085 179.613 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 73' ' ' PHE . . . . . . . . . . . . . 89.2 t80 -60.02 -44.61 94.5 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.606 -0.684 . . . . 0.0 109.179 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 74' ' ' MET . . . . . . . . . . . . . 3.9 ttt -60.37 -38.83 85.11 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.299 -0.876 . . . . 0.0 109.205 179.294 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -59.36 -40.07 85.26 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.144 -0.973 . . . . 0.0 109.239 -179.118 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 54.6 t80 -59.95 -49.29 78.28 Favored 'General case' 0 C--N 1.302 -1.496 0 O-C-N 121.352 -0.842 . . . . 0.0 109.455 179.535 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 77' ' ' VAL . . . . . . . . . . . . . 54.6 t -61.99 -46.6 96.12 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.517 0 O-C-N 121.258 -0.901 . . . . 0.0 108.759 179.55 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 78' ' ' SER . . . . . . . . . . . . . 57.0 m -61.48 -43.86 98.12 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.408 -0.808 . . . . 0.0 109.845 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 79' ' ' MET . . . . . . . . . . . . . 7.1 ttp -60.4 -49.58 77.0 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.168 -0.957 . . . . 0.0 109.493 179.66 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 73.8 t -68.66 -41.17 82.55 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.51 0 O-C-N 121.467 -0.77 . . . . 0.0 109.338 -179.687 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 92.0 m -62.67 -40.33 96.74 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.305 -0.872 . . . . 0.0 109.463 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 89.9 m -69.39 -43.57 73.23 Favored 'General case' 0 N--CA 1.494 1.761 0 O-C-N 121.408 -0.807 . . . . 0.0 110.636 -179.228 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -60.96 -48.37 82.13 Favored 'General case' 0 N--CA 1.495 1.776 0 O-C-N 120.99 -1.069 . . . . 0.0 109.696 -179.373 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 84' ' ' CYS . . . . . 0.507 ' O ' ' SG ' ' B' ' 84' ' ' CYS . 29.6 p -80.57 105.57 11.92 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 121.185 -0.947 . . . . 0.0 108.945 179.74 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 85' ' ' HIS . . . . . . . . . . . . . 6.5 t60 -61.21 -39.99 92.31 Favored 'General case' 0 C--N 1.302 -1.483 0 O-C-N 121.136 -0.977 . . . . 0.0 109.778 -179.511 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -153.29 -76.7 0.12 Allowed 'General case' 0 N--CA 1.496 1.869 0 N-CA-C 108.0 -1.111 . . . . 0.0 108.0 179.608 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 87' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER 58.72 19.67 7.07 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.506 -0.746 . . . . 0.0 109.607 179.284 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 88' ' ' PHE . . . . . 0.541 ' CD1' ' O ' ' B' ' 88' ' ' PHE . 0.2 OUTLIER -87.38 141.62 28.5 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.066 -1.021 . . . . 0.0 109.428 179.849 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' B' B ' 89' ' ' GLU . . . . . 0.535 ' O ' ' O ' ' B' ' 88' ' ' PHE . 11.0 pt-20 44.9 170.56 0.0 OUTLIER 'General case' 0 N--CA 1.499 1.984 0 CA-C-O 122.48 1.133 . . . . 0.0 112.236 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 90' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -76.8 158.87 30.55 Favored 'General case' 0 N--CA 1.488 1.464 0 O-C-N 121.389 -0.819 . . . . 0.0 109.893 -179.606 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 41.6 mt-10 . . . . . 0 N--CA 1.492 1.675 0 CA-C-O 117.848 -1.072 . . . . 0.0 108.979 178.909 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 93' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 17.7 tpt . . . . . 0 N--CA 1.489 1.493 0 N-CA-C 108.837 -0.801 . . . . 0.0 108.837 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 25.9 t -122.79 118.74 28.7 Favored 'General case' 0 N--CA 1.498 1.948 0 O-C-N 121.51 -0.744 . . . . 0.0 109.152 179.527 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 81.3 mm-40 -68.28 -38.06 81.31 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.282 -0.886 . . . . 0.0 109.231 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 6.4 tp -60.04 -43.45 95.32 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.249 -0.907 . . . . 0.0 109.103 -179.813 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 40.5 tt0 -63.81 -39.94 95.44 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.237 -0.914 . . . . 0.0 110.294 -179.792 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 3.2 ttmp? -60.11 -41.41 92.54 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.018 -1.051 . . . . 0.0 108.742 -179.691 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -61.98 -40.01 94.12 Favored 'General case' 0 C--N 1.303 -1.439 0 O-C-N 121.376 -0.827 . . . . 0.0 109.3 179.712 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 91.1 mmm -60.11 -39.94 87.94 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.203 -0.936 . . . . 0.0 109.833 -179.636 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 54.4 t -67.6 -40.1 83.53 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.661 0 O-C-N 121.095 -1.003 . . . . 0.0 109.873 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -63.07 -41.47 99.45 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.267 -0.896 . . . . 0.0 110.57 -179.184 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 8.3 mp -60.06 -46.32 89.94 Favored 'General case' 0 N--CA 1.494 1.766 0 O-C-N 120.957 -1.089 . . . . 0.0 109.284 -179.677 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 90.5 mt -65.75 -41.11 89.63 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.539 0 O-C-N 121.299 -0.875 . . . . 0.0 109.539 -179.901 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . 0.423 ' OD2' ' OE1' ' B' ' 91' ' ' GLU . 22.3 t0 -62.66 -49.5 74.9 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.448 -0.782 . . . . 0.0 111.142 -178.881 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 55.9 t -61.24 -41.16 88.53 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.701 0 O-C-N 121.041 -1.037 . . . . 0.0 110.36 -178.551 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . 0.416 ' CD1' ' C ' ' A' ' 14' ' ' PHE . 30.6 t80 -60.1 -52.05 67.02 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.251 -0.906 . . . . 0.0 111.729 -178.674 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 12.3 t-80 -81.84 -36.15 28.61 Favored 'General case' 0 N--CA 1.497 1.919 0 O-C-N 121.061 -1.024 . . . . 0.0 112.613 -178.081 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 66.6 tt0 -60.01 -54.44 45.96 Favored 'General case' 0 N--CA 1.494 1.739 0 O-C-N 120.87 -1.144 . . . . 0.0 113.013 -176.096 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . 0.49 ' CD1' ' O ' ' A' ' 17' ' ' TYR . 8.5 t80 -82.12 -20.79 37.34 Favored 'General case' 0 N--CA 1.501 2.081 0 O-C-N 120.707 -1.245 . . . . 0.0 112.422 -176.889 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 35.4 t -66.14 -44.77 83.25 Favored 'General case' 0 N--CA 1.497 1.914 0 O-C-N 120.753 -1.217 . . . . 0.0 113.145 -177.554 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -81.06 -11.46 83.67 Favored Glycine 0 N--CA 1.5 2.905 0 O-C-N 120.504 -1.373 . . . . 0.0 112.365 -177.283 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 28.7 mmt180 -60.58 -50.35 73.87 Favored 'General case' 0 N--CA 1.497 1.884 0 O-C-N 120.393 -1.651 . . . . 0.0 110.458 -178.858 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 85.2 tt0 -172.27 -18.47 0.01 OUTLIER 'General case' 0 N--CA 1.494 1.766 0 O-C-N 121.212 -0.93 . . . . 0.0 109.838 -179.411 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -57.07 -49.96 67.85 Favored Glycine 0 N--CA 1.491 2.335 0 N-CA-C 109.955 -1.258 . . . . 0.0 109.955 -179.39 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . 0.501 ' OD1' ' N ' ' A' ' 24' ' ' LYS . 9.4 t70 -162.78 168.52 21.32 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.133 -1.216 . . . . 0.0 109.686 -179.877 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . 0.501 ' N ' ' OD1' ' A' ' 23' ' ' ASP . 17.2 ttmm -85.18 100.07 11.5 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.08 -1.013 . . . . 0.0 110.905 -179.063 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 9.6 t60 39.4 26.82 0.02 OUTLIER 'General case' 0 N--CA 1.495 1.805 0 O-C-N 121.715 -0.616 . . . . 0.0 111.801 178.01 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.438 ' N ' ' O ' ' A' ' 24' ' ' LYS . 86.2 mttt -146.0 160.93 41.18 Favored 'General case' 0 N--CA 1.502 2.126 0 O-C-N 120.728 -1.233 . . . . 0.0 108.944 178.815 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -104.4 129.98 52.31 Favored 'General case' 0 N--CA 1.501 2.095 0 O-C-N 121.245 -0.909 . . . . 0.0 109.584 -179.738 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 40.4 mmtt -124.43 161.15 26.62 Favored 'General case' 0 N--CA 1.498 1.937 0 N-CA-C 108.11 -1.07 . . . . 0.0 108.11 179.16 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.0 -24.57 2.68 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.088 -1.008 . . . . 0.0 110.278 -179.428 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 51.7 p -64.69 -42.2 95.48 Favored 'General case' 0 N--CA 1.495 1.808 0 O-C-N 120.937 -1.102 . . . . 0.0 110.953 -179.379 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 37.0 mt-10 -68.1 -35.65 78.49 Favored 'General case' 0 N--CA 1.497 1.907 0 O-C-N 120.792 -1.192 . . . . 0.0 110.66 -179.449 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 10.8 mp -59.88 -41.46 91.63 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 120.93 -1.106 . . . . 0.0 109.199 -179.144 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 86.5 tttt -59.86 -41.85 92.41 Favored 'General case' 0 C--N 1.301 -1.504 0 O-C-N 120.946 -1.096 . . . . 0.0 109.265 179.251 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . 0.445 ' OE1' ' ND2' ' A' ' 38' ' ' ASN . 1.9 mm-40 -66.23 -51.64 55.6 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.232 -0.918 . . . . 0.0 109.66 -179.927 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 70.5 mt -60.11 -46.83 88.29 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.139 -0.976 . . . . 0.0 109.306 -179.74 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.503 ' O ' ' O ' ' A' ' 40' ' ' LEU . 96.6 mt -62.69 -39.43 84.71 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.445 0 O-C-N 121.447 -0.783 . . . . 0.0 109.856 -179.852 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 59.0 t-20 -75.89 -57.34 3.94 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.105 -0.997 . . . . 0.0 111.708 -178.696 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . 0.445 ' ND2' ' OE1' ' A' ' 34' ' ' GLU . 98.6 m-20 -80.18 -69.36 0.6 Allowed 'General case' 0 N--CA 1.498 1.958 0 O-C-N 120.965 -1.084 . . . . 0.0 112.659 -177.399 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 30.5 tt0 -57.16 -84.59 0.01 OUTLIER 'General case' 0 N--CA 1.497 1.902 0 O-C-N 120.956 -1.09 . . . . 0.0 111.163 -177.129 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.503 ' O ' ' O ' ' A' ' 36' ' ' ILE . 3.8 mm? -71.55 147.85 47.26 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 120.711 -1.243 . . . . 0.0 108.838 -179.925 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 5.1 t -166.81 -18.52 0.02 OUTLIER 'General case' 0 C--N 1.299 -1.597 0 O-C-N 121.259 -0.901 . . . . 0.0 109.894 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 60.2 t-80 -75.35 -57.57 3.81 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.111 -0.993 . . . . 0.0 111.026 -179.115 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 70.8 m-85 -69.93 -42.06 73.78 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.21 -0.931 . . . . 0.0 111.275 -178.13 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 23.2 mt -121.78 132.8 54.8 Favored 'General case' 0 N--CA 1.503 2.202 0 O-C-N 121.347 -0.846 . . . . 0.0 109.485 -179.429 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 61.8 tt0 -162.2 23.12 0.11 Allowed 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.124 -0.985 . . . . 0.0 109.437 179.923 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 69.4 mm-40 -102.15 13.86 33.54 Favored 'General case' 0 N--CA 1.501 2.075 0 O-C-N 121.156 -0.965 . . . . 0.0 110.722 -179.231 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 30.3 mm -68.28 96.49 0.35 Allowed 'Isoleucine or valine' 0 N--CA 1.488 1.458 0 O-C-N 120.648 -1.282 . . . . 0.0 108.911 -179.627 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 68.6 mttm -116.67 -28.38 6.4 Favored 'General case' 0 N--CA 1.496 1.847 0 N-CA-C 109.076 -0.712 . . . . 0.0 109.076 179.821 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -129.94 150.08 51.39 Favored 'General case' 0 N--CA 1.498 1.956 0 O-C-N 121.651 -0.656 . . . . 0.0 109.957 -179.22 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . 0.473 ' N ' ' CD ' ' A' ' 50' ' ' GLN . 14.8 mp0 -69.98 -25.28 63.54 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.484 -0.76 . . . . 0.0 109.349 179.616 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 71.3 mm-40 -59.98 -40.01 87.66 Favored 'General case' 0 N--CA 1.488 1.426 0 O-C-N 121.318 -0.864 . . . . 0.0 109.408 -179.358 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 54.6 t -65.86 -40.99 89.14 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.511 0 O-C-N 121.197 -0.939 . . . . 0.0 109.023 179.643 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 60.7 t -60.85 -44.59 98.0 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.584 0 O-C-N 121.331 -0.856 . . . . 0.0 109.478 -179.629 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 12.8 t0 -60.05 -43.43 95.37 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.176 -0.953 . . . . 0.0 109.652 -179.892 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 61.0 mttp -64.29 -40.06 95.19 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.165 -0.96 . . . . 0.0 109.662 -179.702 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 54.8 t -60.65 -40.95 86.33 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.507 0 O-C-N 121.26 -0.9 . . . . 0.0 109.373 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 86.3 mtp -65.35 -40.03 93.1 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.35 -0.844 . . . . 0.0 110.058 -179.351 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 88.8 tt0 -62.81 -42.91 99.92 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.167 -0.958 . . . . 0.0 109.703 -179.562 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 94.7 m -64.35 -50.16 68.85 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.155 -0.966 . . . . 0.0 109.744 -179.645 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 61.5 tp -63.09 -49.8 73.04 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.304 -0.872 . . . . 0.0 110.124 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 96.3 m-20 -80.49 108.95 14.55 Favored 'General case' 0 C--N 1.302 -1.475 0 O-C-N 121.397 -0.814 . . . . 0.0 109.97 -178.562 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 81.1 tt0 -67.93 -40.01 83.39 Favored 'General case' 0 N--CA 1.486 1.366 0 O-C-N 121.281 -0.887 . . . . 0.0 108.646 179.034 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . 0.446 ' N ' ' OD1' ' A' ' 63' ' ' ASP . 18.3 p-10 -74.14 -50.47 19.26 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.376 -0.828 . . . . 0.0 109.383 179.51 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 82.41 53.51 3.6 Favored Glycine 0 N--CA 1.493 2.439 0 N-CA-C 110.463 -1.055 . . . . 0.0 110.463 179.5 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 39.9 p-10 -80.6 -5.65 57.15 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 120.891 -1.358 . . . . 0.0 109.2 179.626 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 73.45 18.21 79.28 Favored Glycine 0 N--CA 1.493 2.487 0 N-CA-C 110.311 -1.116 . . . . 0.0 110.311 179.197 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 93.3 mt-10 -134.97 149.15 50.17 Favored 'General case' 0 N--CA 1.499 1.999 0 O-C-N 121.256 -1.143 . . . . 0.0 108.864 -179.897 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 3.8 m -109.47 108.05 18.4 Favored 'General case' 0 N--CA 1.5 2.036 0 O-C-N 121.457 -0.777 . . . . 0.0 109.641 -179.912 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 94.3 m-20 -98.57 171.68 7.98 Favored 'General case' 0 N--CA 1.496 1.827 0 O-C-N 121.481 -0.762 . . . . 0.0 109.535 179.645 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 47.8 t80 -59.91 -40.2 88.0 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.328 -0.857 . . . . 0.0 109.195 179.266 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 63.0 tt0 -60.06 -40.75 90.54 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.246 -0.909 . . . . 0.0 109.481 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 72.3 mt-10 -70.04 -35.69 74.48 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.307 -0.871 . . . . 0.0 110.39 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 70.6 t80 -59.96 -42.08 93.3 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.108 -0.995 . . . . 0.0 109.507 -179.527 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' MET . . . . . 0.461 ' O ' ' SD ' ' A' ' 74' ' ' MET . 0.0 OUTLIER -59.97 -39.97 87.48 Favored 'General case' 0 C--N 1.301 -1.543 0 O-C-N 121.218 -0.926 . . . . 0.0 108.549 179.267 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -59.99 -37.25 79.09 Favored 'General case' 0 N--CA 1.494 1.769 0 O-C-N 121.523 -0.736 . . . . 0.0 110.722 -179.754 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 45.2 t80 -60.0 -42.34 94.05 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 120.862 -1.149 . . . . 0.0 110.013 -178.899 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 84.6 t -63.77 -41.83 93.9 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.523 0 O-C-N 121.036 -1.04 . . . . 0.0 109.859 -179.639 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 95.0 p -61.13 -40.04 92.3 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.442 -0.786 . . . . 0.0 110.137 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 32.5 ttp -59.91 -40.03 87.44 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.281 -0.887 . . . . 0.0 110.408 -178.938 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 55.2 t -60.08 -40.63 83.85 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.538 0 O-C-N 121.044 -1.035 . . . . 0.0 109.879 -178.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 31.4 p -67.07 -39.93 86.93 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.086 -1.009 . . . . 0.0 110.136 -179.541 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 36.8 p -64.33 -40.06 95.14 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.164 -0.96 . . . . 0.0 110.309 -179.559 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -79.55 -14.17 59.03 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.117 -0.99 . . . . 0.0 109.595 -179.665 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 12.7 t -57.42 156.55 7.74 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.31 -0.869 . . . . 0.0 110.047 -179.662 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' HIS . . . . . 0.497 ' ND1' ' H ' ' A' ' 85' ' ' HIS . 16.9 p-80 -87.96 -145.02 0.14 Allowed 'General case' 0 N--CA 1.494 1.733 0 O-C-N 121.272 -0.892 . . . . 0.0 108.969 179.58 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 53.2 tp10 -130.24 -23.87 2.64 Favored 'General case' 0 N--CA 1.502 2.171 0 O-C-N 120.866 -1.146 . . . . 0.0 110.784 -178.757 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 13.1 m-85 -80.6 68.52 6.84 Favored 'General case' 0 N--CA 1.497 1.916 0 O-C-N 120.755 -1.215 . . . . 0.0 110.471 -179.287 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 2.7 t80 -174.64 24.89 0.01 OUTLIER 'General case' 0 N--CA 1.494 1.766 0 O-C-N 121.114 -0.991 . . . . 0.0 109.094 178.847 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 99.5 mt-10 -98.2 7.53 46.13 Favored 'General case' 0 N--CA 1.494 1.77 0 O-C-N 121.365 -0.834 . . . . 0.0 110.47 -178.811 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' HIS . . . . . 0.48 ' CG ' ' O ' ' A' ' 90' ' ' HIS . 49.4 t60 -102.53 -1.0 31.32 Favored 'General case' 0 N--CA 1.501 2.121 0 O-C-N 121.165 -0.96 . . . . 0.0 110.855 -179.072 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . 0.423 ' OE1' ' OD2' ' B' ' 12' ' ' ASP . 87.2 tt0 . . . . . 0 N--CA 1.499 1.991 0 O-C-N 120.877 -1.14 . . . . 0.0 109.177 -179.059 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 0' ' ' MET . . . . . . . . . . . . . 18.3 tpt . . . . . 0 N--CA 1.49 1.545 0 N-CA-C 109.059 -0.719 . . . . 0.0 109.059 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 21.7 t -123.11 118.62 28.12 Favored 'General case' 0 N--CA 1.498 1.926 0 O-C-N 121.486 -0.759 . . . . 0.0 108.993 179.542 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 81.3 mm-40 -67.96 -38.12 82.4 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.291 -0.881 . . . . 0.0 109.18 179.906 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 5.8 tp -59.95 -43.62 94.91 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.296 -0.877 . . . . 0.0 109.185 -179.698 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 40.5 tt0 -63.65 -40.0 95.76 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 121.303 -0.873 . . . . 0.0 110.185 -179.819 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 3.3 ttmp? -59.99 -41.41 91.98 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.049 -1.032 . . . . 0.0 108.805 -179.632 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -62.1 -40.02 94.45 Favored 'General case' 0 C--N 1.302 -1.463 0 O-C-N 121.365 -0.834 . . . . 0.0 109.441 179.645 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 7' ' ' MET . . . . . . . . . . . . . 92.0 mmm -60.0 -39.98 87.64 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.222 -0.924 . . . . 0.0 109.669 -179.806 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 54.5 t -67.97 -40.1 82.74 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.529 0 O-C-N 121.184 -0.947 . . . . 0.0 109.776 -179.766 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -63.02 -41.15 99.47 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.136 -0.978 . . . . 0.0 110.654 -179.391 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 8.4 mp -60.08 -46.56 89.17 Favored 'General case' 0 N--CA 1.495 1.8 0 O-C-N 120.921 -1.112 . . . . 0.0 109.175 -179.801 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 95.8 mt -65.45 -41.36 90.86 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.541 0 O-C-N 121.178 -0.951 . . . . 0.0 109.598 -179.825 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 12' ' ' ASP . . . . . 0.423 ' OD2' ' OE1' ' A' ' 91' ' ' GLU . 23.0 t0 -62.48 -49.38 75.61 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.385 -0.822 . . . . 0.0 111.116 -178.747 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 53.7 t -61.42 -41.11 88.66 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.675 0 O-C-N 121.155 -0.965 . . . . 0.0 110.356 -178.45 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 14' ' ' PHE . . . . . 0.405 ' CD1' ' C ' ' B' ' 14' ' ' PHE . 29.4 t80 -59.93 -51.57 69.14 Favored 'General case' 0 N--CA 1.494 1.743 0 O-C-N 121.32 -0.863 . . . . 0.0 111.761 -178.684 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 12.8 t-80 -82.6 -36.1 26.45 Favored 'General case' 0 N--CA 1.497 1.892 0 O-C-N 121.007 -1.058 . . . . 0.0 112.58 -177.885 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 66.5 tt0 -60.01 -54.44 46.05 Favored 'General case' 0 N--CA 1.494 1.763 0 O-C-N 120.871 -1.143 . . . . 0.0 112.994 -176.252 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 17' ' ' TYR . . . . . 0.495 ' O ' ' CD1' ' B' ' 17' ' ' TYR . 8.7 t80 -82.12 -20.67 37.57 Favored 'General case' 0 N--CA 1.501 2.107 0 O-C-N 120.747 -1.221 . . . . 0.0 112.604 -176.861 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 18' ' ' SER . . . . . 0.402 ' O ' ' O ' ' B' ' 23' ' ' ASP . 38.3 t -66.37 -44.45 83.13 Favored 'General case' 0 N--CA 1.498 1.942 0 O-C-N 120.81 -1.182 . . . . 0.0 113.037 -177.61 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -80.92 -12.16 82.99 Favored Glycine 0 N--CA 1.499 2.863 0 O-C-N 120.494 -1.378 . . . . 0.0 112.472 -177.257 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 28.8 mmt180 -60.37 -50.02 75.26 Favored 'General case' 0 N--CA 1.496 1.866 0 O-C-N 120.532 -1.569 . . . . 0.0 110.469 -178.584 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 84.9 tt0 -172.6 -18.3 0.01 OUTLIER 'General case' 0 N--CA 1.494 1.764 0 O-C-N 121.138 -0.976 . . . . 0.0 109.686 -179.421 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . -57.12 -49.76 69.55 Favored Glycine 0 N--CA 1.491 2.366 0 N-CA-C 110.057 -1.217 . . . . 0.0 110.057 -179.458 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 23' ' ' ASP . . . . . 0.477 ' OD1' ' N ' ' B' ' 24' ' ' LYS . 9.5 t70 -163.24 168.12 21.05 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.123 -1.222 . . . . 0.0 109.608 -179.922 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 24' ' ' LYS . . . . . 0.477 ' N ' ' OD1' ' B' ' 23' ' ' ASP . 17.1 ttmm -84.85 99.99 11.27 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.285 -0.885 . . . . 0.0 111.046 -178.889 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 25' ' ' HIS . . . . . . . . . . . . . 9.3 t60 39.55 26.99 0.02 OUTLIER 'General case' 0 N--CA 1.495 1.796 0 O-C-N 121.744 -0.598 . . . . 0.0 111.78 177.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 26' ' ' LYS . . . . . 0.43 ' N ' ' O ' ' B' ' 24' ' ' LYS . 86.1 mttt -146.28 160.84 41.46 Favored 'General case' 0 N--CA 1.5 2.058 0 O-C-N 120.665 -1.272 . . . . 0.0 108.93 178.88 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 2.0 mm? -104.75 130.43 52.82 Favored 'General case' 0 N--CA 1.498 1.97 0 O-C-N 121.149 -0.969 . . . . 0.0 109.596 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 33.9 mmtt -124.04 161.11 26.2 Favored 'General case' 0 N--CA 1.497 1.884 0 N-CA-C 108.208 -1.034 . . . . 0.0 108.208 179.155 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -49.96 -24.64 2.69 Favored 'General case' 0 N--CA 1.493 1.675 0 O-C-N 121.096 -1.003 . . . . 0.0 110.323 -179.585 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 52.4 p -64.78 -41.8 95.56 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 120.897 -1.127 . . . . 0.0 110.987 -179.204 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 34.4 mt-10 -68.28 -35.47 77.92 Favored 'General case' 0 N--CA 1.496 1.847 0 O-C-N 121.024 -1.048 . . . . 0.0 110.636 -179.332 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 10.8 mp -59.91 -41.49 91.79 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 120.823 -1.173 . . . . 0.0 109.263 -179.202 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 86.4 tttt -59.99 -42.57 94.5 Favored 'General case' 0 C--N 1.302 -1.489 0 O-C-N 120.987 -1.07 . . . . 0.0 109.07 179.503 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 34' ' ' GLU . . . . . 0.455 ' OE1' ' ND2' ' B' ' 38' ' ' ASN . 1.9 mm-40 -65.46 -51.48 59.84 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.214 -0.928 . . . . 0.0 109.655 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 61.3 mt -60.58 -46.66 89.42 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.014 -1.054 . . . . 0.0 109.393 -179.707 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 36' ' ' ILE . . . . . 0.51 ' O ' ' O ' ' B' ' 40' ' ' LEU . 97.0 mt -62.61 -39.37 84.35 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.499 0 O-C-N 121.437 -0.79 . . . . 0.0 109.782 -179.83 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 57.4 t-20 -76.16 -57.14 4.04 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 120.941 -1.099 . . . . 0.0 111.753 -178.52 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 38' ' ' ASN . . . . . 0.455 ' ND2' ' OE1' ' B' ' 34' ' ' GLU . 98.6 m-20 -79.94 -69.41 0.59 Allowed 'General case' 0 N--CA 1.496 1.848 0 O-C-N 120.947 -1.096 . . . . 0.0 112.731 -177.699 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 31.5 tt0 -57.34 -84.5 0.01 OUTLIER 'General case' 0 N--CA 1.497 1.902 0 O-C-N 121.029 -1.045 . . . . 0.0 111.165 -176.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 40' ' ' LEU . . . . . 0.51 ' O ' ' O ' ' B' ' 36' ' ' ILE . 4.0 mm? -71.26 147.56 48.05 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 120.792 -1.193 . . . . 0.0 108.651 -179.835 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 5.5 t -166.75 -18.6 0.02 OUTLIER 'General case' 0 C--N 1.3 -1.562 0 O-C-N 121.148 -0.97 . . . . 0.0 109.923 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 42' ' ' HIS . . . . . . . . . . . . . 60.1 t-80 -75.45 -57.65 3.76 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.155 -0.966 . . . . 0.0 111.0 -178.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 72.1 m-85 -69.91 -42.16 73.72 Favored 'General case' 0 N--CA 1.494 1.749 0 O-C-N 121.226 -0.921 . . . . 0.0 111.234 -178.199 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 33.2 mt -121.53 132.5 54.74 Favored 'General case' 0 N--CA 1.504 2.227 0 O-C-N 121.424 -0.798 . . . . 0.0 109.555 -179.219 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 60.3 tt0 -162.19 23.27 0.11 Allowed 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.136 -0.977 . . . . 0.0 109.474 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 69.4 mm-40 -102.28 14.04 33.02 Favored 'General case' 0 N--CA 1.498 1.935 0 O-C-N 121.184 -0.947 . . . . 0.0 110.595 -179.339 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 29.5 mm -68.54 96.97 0.39 Allowed 'Isoleucine or valine' 0 N--CA 1.488 1.462 0 O-C-N 120.554 -1.341 . . . . 0.0 108.95 -179.662 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 68.7 mttm -117.05 -28.22 6.3 Favored 'General case' 0 N--CA 1.497 1.907 0 N-CA-C 109.007 -0.738 . . . . 0.0 109.007 179.666 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -129.97 150.05 51.42 Favored 'General case' 0 N--CA 1.498 1.934 0 O-C-N 121.588 -0.695 . . . . 0.0 109.82 -179.219 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 50' ' ' GLN . . . . . 0.491 ' N ' ' CD ' ' B' ' 50' ' ' GLN . 15.0 mp0 -69.99 -25.36 63.57 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.506 -0.747 . . . . 0.0 109.319 179.53 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 71.2 mm-40 -60.03 -40.01 87.86 Favored 'General case' 0 C--N 1.303 -1.42 0 O-C-N 121.32 -0.863 . . . . 0.0 109.272 -179.298 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 54.2 t -65.91 -40.9 88.79 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.503 0 O-C-N 121.091 -1.005 . . . . 0.0 109.114 179.566 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 67.2 t -60.96 -44.44 98.09 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.48 0 O-C-N 121.215 -0.928 . . . . 0.0 109.472 -179.656 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 54' ' ' ASP . . . . . 0.404 ' C ' ' OD1' ' B' ' 54' ' ' ASP . 12.5 t0 -60.05 -43.7 95.18 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.182 -0.949 . . . . 0.0 109.421 -179.813 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 60.6 mttp -63.96 -40.02 95.46 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.051 -1.031 . . . . 0.0 109.78 -179.694 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 54.2 t -60.66 -40.5 84.92 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.525 0 O-C-N 121.239 -0.913 . . . . 0.0 109.376 -179.898 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 57' ' ' MET . . . . . . . . . . . . . 81.5 mtp -65.64 -40.21 92.25 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.376 -0.827 . . . . 0.0 110.004 -179.328 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -62.29 -43.52 98.63 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.152 -0.967 . . . . 0.0 109.755 -179.699 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 96.7 m -63.82 -50.1 70.23 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.281 -0.887 . . . . 0.0 109.92 -179.747 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 64.1 tp -63.16 -49.72 73.23 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.357 -0.839 . . . . 0.0 110.159 179.881 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 96.1 m-20 -80.56 108.53 14.28 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.38 -0.825 . . . . 0.0 110.112 -178.454 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 82.6 tt0 -67.67 -39.94 84.5 Favored 'General case' 0 C--N 1.301 -1.508 0 N-CA-C 108.629 -0.878 . . . . 0.0 108.629 179.081 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 63' ' ' ASP . . . . . 0.458 ' N ' ' OD1' ' B' ' 63' ' ' ASP . 18.3 p-10 -74.17 -50.19 20.35 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.46 -0.775 . . . . 0.0 109.416 179.544 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 82.34 53.0 3.78 Favored Glycine 0 N--CA 1.492 2.411 0 C-N-CA 120.154 -1.022 . . . . 0.0 110.633 179.514 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 39.1 p-10 -80.34 -5.72 56.83 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 120.952 -1.322 . . . . 0.0 109.282 179.603 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 73.06 18.91 79.41 Favored Glycine 0 N--CA 1.494 2.537 0 N-CA-C 110.28 -1.128 . . . . 0.0 110.28 179.215 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 93.1 mt-10 -135.32 148.82 49.59 Favored 'General case' 0 N--CA 1.498 1.933 0 O-C-N 121.242 -1.152 . . . . 0.0 108.855 -179.852 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 68' ' ' CYS . . . . . . . . . . . . . 3.7 m -109.12 108.27 18.87 Favored 'General case' 0 N--CA 1.501 2.108 0 O-C-N 121.366 -0.834 . . . . 0.0 109.765 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 95.0 m-20 -98.69 171.76 7.9 Favored 'General case' 0 N--CA 1.496 1.827 0 O-C-N 121.453 -0.78 . . . . 0.0 109.512 179.598 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 50.6 t80 -59.92 -40.38 88.64 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.221 -0.924 . . . . 0.0 109.077 179.389 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 63.0 tt0 -59.97 -40.73 90.12 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.234 -0.916 . . . . 0.0 109.25 -179.853 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 70.7 mt-10 -70.06 -35.93 74.59 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.214 -0.929 . . . . 0.0 110.231 -179.837 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 73' ' ' PHE . . . . . . . . . . . . . 69.3 t80 -60.0 -41.77 92.82 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.026 -1.046 . . . . 0.0 109.616 -179.459 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 74' ' ' MET . . . . . 0.477 ' O ' ' SD ' ' B' ' 74' ' ' MET . 0.0 OUTLIER -60.08 -39.98 87.94 Favored 'General case' 0 C--N 1.302 -1.487 0 O-C-N 121.26 -0.9 . . . . 0.0 108.593 179.382 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -60.09 -37.2 79.24 Favored 'General case' 0 N--CA 1.494 1.751 0 O-C-N 121.613 -0.679 . . . . 0.0 110.657 -179.684 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 44.1 t80 -60.07 -42.23 94.1 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 120.878 -1.139 . . . . 0.0 109.994 -178.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 77' ' ' VAL . . . . . . . . . . . . . 90.0 t -63.83 -41.73 93.51 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.55 0 O-C-N 121.021 -1.049 . . . . 0.0 109.808 -179.537 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 78' ' ' SER . . . . . . . . . . . . . 97.3 p -61.55 -39.61 91.71 Favored 'General case' 0 N--CA 1.494 1.754 0 O-C-N 121.305 -0.872 . . . . 0.0 110.184 -179.872 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 79' ' ' MET . . . . . . . . . . . . . 32.1 ttp -60.0 -39.97 87.61 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.386 -0.822 . . . . 0.0 110.159 -178.761 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 68.9 t -60.05 -41.06 85.06 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.655 0 O-C-N 121.069 -1.019 . . . . 0.0 109.803 -179.128 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 27.9 p -66.5 -39.96 88.97 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.144 -0.973 . . . . 0.0 110.239 -179.699 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 36.4 p -64.68 -39.97 94.59 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.18 -0.95 . . . . 0.0 110.27 -179.517 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -79.27 -14.33 59.1 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.097 -1.002 . . . . 0.0 109.657 -179.696 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 84' ' ' CYS . . . . . . . . . . . . . 11.9 t -57.35 156.63 7.45 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.28 -0.888 . . . . 0.0 110.085 -179.561 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 85' ' ' HIS . . . . . 0.506 ' H ' ' ND1' ' B' ' 85' ' ' HIS . 16.1 p-80 -88.04 -145.09 0.14 Allowed 'General case' 0 N--CA 1.492 1.653 0 N-CA-C 108.865 -0.791 . . . . 0.0 108.865 179.535 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 53.2 tp10 -130.06 -24.17 2.66 Favored 'General case' 0 N--CA 1.503 2.195 0 O-C-N 120.907 -1.121 . . . . 0.0 110.712 -178.865 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 87' ' ' PHE . . . . . . . . . . . . . 12.9 m-85 -80.37 68.43 6.54 Favored 'General case' 0 N--CA 1.496 1.874 0 O-C-N 120.726 -1.234 . . . . 0.0 110.453 -179.127 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 2.8 t80 -174.52 24.76 0.01 OUTLIER 'General case' 0 N--CA 1.495 1.78 0 O-C-N 121.119 -0.988 . . . . 0.0 109.13 178.701 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 -97.91 6.53 47.63 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.295 -0.878 . . . . 0.0 110.562 -178.895 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 90' ' ' HIS . . . . . 0.491 ' O ' ' CG ' ' B' ' 90' ' ' HIS . 49.4 t60 -101.64 -0.03 35.4 Favored 'General case' 0 N--CA 1.501 2.092 0 O-C-N 121.033 -1.042 . . . . 0.0 110.743 -178.947 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 91' ' ' GLU . . . . . 0.423 ' OE1' ' OD2' ' A' ' 12' ' ' ASP . 86.4 tt0 . . . . . 0 N--CA 1.5 2.064 0 O-C-N 120.763 -1.21 . . . . 0.0 109.298 -179.108 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 92' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 93' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 61.5 mtt . . . . . 0 N--CA 1.49 1.567 0 N-CA-C 109.226 -0.657 . . . . 0.0 109.226 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 5.2 t -87.12 107.48 18.47 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.133 -0.979 . . . . 0.0 109.427 179.875 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 87.0 tt0 -60.54 -39.93 89.68 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.4 -0.812 . . . . 0.0 110.04 -179.88 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 4.5 tt -55.73 -51.33 67.72 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.148 -0.97 . . . . 0.0 109.19 -178.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 85.0 tt0 -59.94 -43.93 94.68 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 120.914 -1.116 . . . . 0.0 109.031 179.212 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 58.2 tttp -61.37 -39.94 92.5 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.453 -0.78 . . . . 0.0 109.761 179.63 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -59.96 -42.62 94.47 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.236 -0.915 . . . . 0.0 110.251 -178.446 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 50.8 mtm -62.37 -40.05 95.16 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 120.732 -1.23 . . . . 0.0 109.162 179.477 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 61.6 t -68.55 -40.04 81.41 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.505 0 O-C-N 121.253 -0.904 . . . . 0.0 108.671 179.642 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -62.15 -39.95 94.36 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.516 -0.74 . . . . 0.0 110.09 -179.903 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -60.03 -43.54 95.23 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.081 -1.012 . . . . 0.0 108.925 -179.195 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 96.6 mt -69.48 -40.91 80.34 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.61 0 O-C-N 121.021 -1.049 . . . . 0.0 109.548 179.783 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . 0.403 ' C ' ' OD1' ' A' ' 12' ' ' ASP . 51.6 t0 -64.86 -50.03 68.23 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.195 -0.941 . . . . 0.0 110.427 -179.56 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 54.0 t -62.28 -40.66 88.61 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.488 0 O-C-N 121.108 -0.995 . . . . 0.0 109.776 -178.908 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . 0.414 ' O ' ' OG ' ' A' ' 18' ' ' SER . 64.6 t80 -60.05 -42.92 95.49 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.202 -0.936 . . . . 0.0 110.124 -179.655 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 2.3 t60 -60.04 -50.01 75.39 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.122 -0.986 . . . . 0.0 110.484 -178.931 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 27.9 mt-30 -67.16 -40.09 86.58 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 120.963 -1.086 . . . . 0.0 108.975 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 27.1 t80 -69.04 -32.54 72.11 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.448 -0.782 . . . . 0.0 109.664 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' SER . . . . . 0.414 ' OG ' ' O ' ' A' ' 14' ' ' PHE . 52.8 m -60.0 -46.24 90.13 Favored 'General case' 0 C--N 1.3 -1.573 0 O-C-N 120.5 -1.375 . . . . 0.0 109.891 -179.582 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -83.59 20.28 12.08 Favored Glycine 0 N--CA 1.497 2.743 0 O-C-N 121.288 -0.883 . . . . 0.0 111.775 -179.106 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.01 -39.94 87.53 Favored 'General case' 0 N--CA 1.499 2.01 0 O-C-N 120.388 -1.654 . . . . 0.0 110.189 -178.898 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 6.6 tt0 -120.11 -158.6 0.75 Allowed 'General case' 0 N--CA 1.504 2.258 0 O-C-N 121.205 -0.934 . . . . 0.0 109.892 -179.245 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -60.03 -39.55 95.85 Favored Glycine 0 N--CA 1.493 2.439 0 N-CA-C 110.85 -0.9 . . . . 0.0 110.85 -179.032 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . 0.516 ' N ' ' OD1' ' A' ' 23' ' ' ASP . 18.2 p-10 -54.12 138.49 37.78 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 120.951 -1.323 . . . . 0.0 110.013 -179.174 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 87.1 tttt -89.96 -80.0 0.33 Allowed 'General case' 0 N--CA 1.495 1.818 0 O-C-N 121.647 -0.658 . . . . 0.0 111.446 -178.93 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 17.7 p80 -105.6 26.22 9.79 Favored 'General case' 0 N--CA 1.502 2.138 0 O-C-N 121.453 -0.779 . . . . 0.0 110.812 -178.183 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 15.7 ptmt -136.87 153.72 50.68 Favored 'General case' 0 N--CA 1.498 1.941 0 N-CA-C 108.16 -1.052 . . . . 0.0 108.16 179.094 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 83.6 mt -104.18 136.73 43.24 Favored 'General case' 0 N--CA 1.498 1.97 0 O-C-N 121.175 -0.953 . . . . 0.0 110.19 -178.469 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 31.6 ttmt -92.84 163.45 13.71 Favored 'General case' 0 N--CA 1.492 1.634 0 N-CA-C 108.661 -0.866 . . . . 0.0 108.661 179.747 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 66.9 mttm -59.96 -41.49 92.04 Favored 'General case' 0 C--N 1.302 -1.483 0 O-C-N 120.966 -1.084 . . . . 0.0 109.838 -179.422 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 69.1 m -60.88 -40.59 93.58 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.237 -0.914 . . . . 0.0 110.739 -179.28 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . 0.432 ' OE1' ' OD2' ' A' ' 23' ' ' ASP . 97.8 mt-10 -60.06 -40.08 88.26 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.084 -1.01 . . . . 0.0 110.274 -179.589 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 41.0 tp -59.92 -48.61 81.01 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 120.981 -1.074 . . . . 0.0 108.476 -179.447 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -59.96 -43.37 95.09 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.256 -0.902 . . . . 0.0 109.393 179.623 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 80.6 tt0 -63.27 -40.03 96.25 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.326 -0.859 . . . . 0.0 109.757 -179.613 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 28.3 tp -60.02 -43.2 95.43 Favored 'General case' 0 N--CA 1.489 1.501 0 N-CA-C 108.461 -0.94 . . . . 0.0 108.461 -179.601 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 94.7 mt -62.04 -44.69 99.3 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.554 0 O-C-N 121.319 -0.863 . . . . 0.0 109.64 179.603 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . 0.408 ' O ' ' C ' ' A' ' 38' ' ' ASN . 26.1 m120 -60.04 -40.07 88.11 Favored 'General case' 0 N--CA 1.495 1.776 0 O-C-N 121.403 -0.811 . . . . 0.0 111.257 -179.098 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . 0.408 ' C ' ' O ' ' A' ' 37' ' ' ASN . 18.9 m120 -41.86 -81.66 0.01 OUTLIER 'General case' 0 N--CA 1.498 1.96 0 O-C-N 121.21 -0.931 . . . . 0.0 110.766 -178.403 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 89.8 mt-10 -143.97 -1.28 0.98 Allowed 'General case' 0 N--CA 1.499 1.988 0 O-C-N 120.97 -1.081 . . . . 0.0 110.039 -179.666 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 10.5 mp -85.65 -6.63 59.12 Favored 'General case' 0 N--CA 1.494 1.755 0 O-C-N 120.976 -1.078 . . . . 0.0 108.992 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' SER . . . . . 0.447 ' O ' ' O ' ' A' ' 44' ' ' LEU . 77.8 p -66.85 -40.0 87.76 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.201 -0.937 . . . . 0.0 109.415 179.478 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 68.3 m80 -62.22 -40.35 95.84 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.035 -1.041 . . . . 0.0 109.804 -179.777 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 29.9 t80 -70.0 -39.9 75.6 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.214 -0.929 . . . . 0.0 109.977 -179.628 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.447 ' O ' ' O ' ' A' ' 41' ' ' SER . 31.4 mt -99.5 132.73 44.64 Favored 'General case' 0 N--CA 1.499 1.982 0 O-C-N 121.258 -0.901 . . . . 0.0 110.17 -179.084 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . 0.421 ' HG2' ' H ' ' A' ' 46' ' ' GLU . 45.0 tt0 -89.53 -137.18 0.12 Allowed 'General case' 0 N--CA 1.491 1.593 0 N-CA-C 108.401 -0.963 . . . . 0.0 108.401 179.363 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . 0.421 ' H ' ' HG2' ' A' ' 45' ' ' GLU . 97.9 mt-10 46.05 -137.33 0.64 Allowed 'General case' 0 N--CA 1.493 1.706 0 O-C-N 120.957 -1.09 . . . . 0.0 109.967 179.279 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . 0.407 ' C ' ' O ' ' A' ' 46' ' ' GLU . 23.8 mm 41.01 60.02 0.2 Allowed 'Isoleucine or valine' 0 N--CA 1.498 1.93 0 O-C-N 121.451 -0.78 . . . . 0.0 110.187 -179.672 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.437 ' CB ' ' HZ1' ' A' ' 48' ' ' LYS . 9.8 mtpm? -102.47 -18.73 15.2 Favored 'General case' 0 N--CA 1.496 1.867 0 O-C-N 121.171 -0.956 . . . . 0.0 110.533 -179.808 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 74.1 mt-10 -137.76 159.13 42.83 Favored 'General case' 0 N--CA 1.503 2.186 0 O-C-N 121.048 -1.032 . . . . 0.0 110.819 -178.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 35.8 mt-30 -66.58 -40.02 88.72 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.751 -0.593 . . . . 0.0 110.284 -179.88 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 63.4 mm-40 -60.0 -39.42 85.71 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.43 -0.794 . . . . 0.0 110.036 -179.575 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 53.1 t -59.95 -40.04 81.86 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.594 0 O-C-N 121.273 -0.892 . . . . 0.0 110.248 -178.322 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 58.2 t -60.68 -42.98 93.94 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.526 0 O-C-N 120.734 -1.229 . . . . 0.0 109.998 -179.71 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 98.4 m-20 -65.47 -41.7 93.04 Favored 'General case' 0 N--CA 1.495 1.811 0 O-C-N 120.944 -1.097 . . . . 0.0 110.849 -179.081 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 1.4 mptm? -69.35 -40.0 77.78 Favored 'General case' 0 N--CA 1.494 1.767 0 O-C-N 121.039 -1.038 . . . . 0.0 110.302 -179.44 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 53.8 t -59.95 -42.61 90.04 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.617 0 O-C-N 121.127 -0.983 . . . . 0.0 110.864 -178.002 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 96.6 mtp -60.07 -42.44 94.56 Favored 'General case' 0 C--N 1.3 -1.562 0 O-C-N 120.861 -1.149 . . . . 0.0 110.357 -178.663 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 47.3 tt0 -63.96 -45.32 89.65 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 120.756 -1.215 . . . . 0.0 110.371 -179.524 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 94.2 m -69.38 -45.81 68.41 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 120.92 -1.113 . . . . 0.0 110.164 -179.34 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 3.8 tp -70.27 -35.93 74.09 Favored 'General case' 0 C--N 1.3 -1.564 0 O-C-N 121.304 -0.873 . . . . 0.0 110.33 -178.904 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . 0.435 ' OD1' ' OD1' ' A' ' 63' ' ' ASP . 56.6 t0 -69.57 120.59 15.59 Favored 'General case' 0 N--CA 1.495 1.793 0 O-C-N 121.106 -0.996 . . . . 0.0 109.572 -179.268 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 76.6 mm-40 -67.75 -40.02 84.13 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.454 -0.779 . . . . 0.0 110.389 -179.357 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . 0.435 ' OD1' ' OD1' ' A' ' 61' ' ' ASP . 9.9 p-10 -95.6 -16.63 21.97 Favored 'General case' 0 N--CA 1.499 2.011 0 O-C-N 120.914 -1.116 . . . . 0.0 110.615 -179.298 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . 0.417 ' H ' ' CG ' ' A' ' 61' ' ' ASP . . . 46.91 57.3 6.96 Favored Glycine 0 N--CA 1.493 2.479 0 N-CA-C 109.791 -1.324 . . . . 0.0 109.791 179.63 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . 0.448 ' OD1' ' O ' ' A' ' 67' ' ' GLU . 34.6 p-10 -89.96 -0.84 57.8 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.167 -1.196 . . . . 0.0 109.734 -179.697 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 89.01 -8.7 79.22 Favored Glycine 0 N--CA 1.494 2.566 0 N-CA-C 109.517 -1.433 . . . . 0.0 109.517 179.796 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . 0.448 ' O ' ' OD1' ' A' ' 65' ' ' ASP . 31.3 mp0 -132.79 139.48 47.55 Favored 'General case' 0 N--CA 1.496 1.845 0 O-C-N 121.434 -1.039 . . . . 0.0 108.509 179.758 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 10.8 t -92.77 112.57 24.57 Favored 'General case' 0 N--CA 1.494 1.761 0 O-C-N 120.906 -1.122 . . . . 0.0 109.093 179.645 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 92.3 m-20 -88.24 169.66 11.67 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.467 -0.771 . . . . 0.0 109.283 -179.769 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 52.6 t80 -59.96 -42.42 94.06 Favored 'General case' 0 N--CA 1.487 1.418 0 O-C-N 121.186 -0.946 . . . . 0.0 108.696 -179.738 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 60.0 tt0 -59.95 -43.93 94.71 Favored 'General case' 0 N--CA 1.489 1.488 0 N-CA-C 108.284 -1.006 . . . . 0.0 108.284 179.047 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 67.7 mt-10 -66.76 -39.76 88.0 Favored 'General case' 0 N--CA 1.489 1.49 0 N-CA-C 108.584 -0.895 . . . . 0.0 108.584 179.267 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 64.2 t80 -60.11 -38.98 84.62 Favored 'General case' 0 N--CA 1.487 1.378 0 N-CA-C 108.426 -0.953 . . . . 0.0 108.426 179.816 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -59.94 -39.95 87.3 Favored 'General case' 0 N--CA 1.488 1.43 0 N-CA-C 108.05 -1.093 . . . . 0.0 108.05 179.765 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -61.51 -36.9 81.82 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.325 -0.859 . . . . 0.0 108.935 178.725 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 27.4 t80 -60.04 -49.15 78.78 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.688 -0.633 . . . . 0.0 109.965 -179.038 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 58.4 t -69.8 -41.63 79.86 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.616 0 O-C-N 120.906 -1.122 . . . . 0.0 110.386 -179.206 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 47.5 t -63.14 -50.64 69.63 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 120.986 -1.071 . . . . 0.0 110.89 -178.841 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 22.5 ttt -61.18 -42.21 98.17 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 120.957 -1.089 . . . . 0.0 109.947 -179.306 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 42.7 t -65.96 -49.11 79.12 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.587 0 O-C-N 121.312 -0.867 . . . . 0.0 110.17 -179.846 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' THR . . . . . 0.5 ' O ' ' SG ' ' A' ' 84' ' ' CYS . 93.8 m -67.14 -46.69 73.32 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.144 -0.972 . . . . 0.0 110.263 -179.136 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 94.4 m -64.51 -39.92 94.68 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.287 -0.883 . . . . 0.0 109.807 -179.741 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . 0.542 ' O ' ' ND1' ' A' ' 85' ' ' HIS . . . -57.69 -22.23 44.92 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.374 -0.829 . . . . 0.0 110.992 -178.872 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' CYS . . . . . 0.567 ' O ' ' CG ' ' A' ' 85' ' ' HIS . 12.8 p -71.51 -41.83 68.76 Favored 'General case' 0 N--CA 1.494 1.746 0 O-C-N 120.816 -1.177 . . . . 0.0 109.878 -179.696 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' HIS . . . . . 0.567 ' CG ' ' O ' ' A' ' 84' ' ' CYS . 41.4 p-80 44.73 -176.26 0.01 OUTLIER 'General case' 0 N--CA 1.499 2.019 0 CA-C-O 121.498 0.666 . . . . 0.0 110.621 -179.561 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . 0.451 ' O ' ' O ' ' A' ' 85' ' ' HIS . 49.8 mm-40 43.27 -168.29 0.01 OUTLIER 'General case' 0 N--CA 1.496 1.837 0 O-C-N 121.447 -0.783 . . . . 0.0 110.171 -179.627 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 7.4 m-85 -99.97 129.82 46.07 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.433 -0.792 . . . . 0.0 109.157 -179.825 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 46.5 t80 -84.33 130.77 34.77 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.073 -1.017 . . . . 0.0 109.122 179.814 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 44.9 tt0 -89.61 106.77 18.68 Favored 'General case' 0 N--CA 1.494 1.753 0 O-C-N 121.093 -1.004 . . . . 0.0 109.04 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 67.4 t60 -71.26 149.87 45.78 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.295 -0.878 . . . . 0.0 109.493 -179.801 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 . . . . . 0 N--CA 1.491 1.606 0 CA-C-O 117.931 -1.033 . . . . 0.0 109.465 -179.869 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 0' ' ' MET . . . . . . . . . . . . . 61.3 mtt . . . . . 0 N--CA 1.49 1.531 0 N-CA-C 109.304 -0.628 . . . . 0.0 109.304 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 6.6 t -87.14 107.21 18.36 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.134 -0.979 . . . . 0.0 109.347 179.86 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 87.5 tt0 -60.52 -39.94 89.68 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.425 -0.797 . . . . 0.0 110.046 -179.912 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 4.4 tt -55.49 -51.94 65.33 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.113 -0.992 . . . . 0.0 109.164 -179.1 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 85.8 tt0 -59.96 -43.65 94.92 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.016 -1.053 . . . . 0.0 108.953 179.512 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 59.4 tttp -61.37 -39.96 92.56 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.378 -0.827 . . . . 0.0 109.755 179.438 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -60.0 -42.12 93.56 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.221 -0.925 . . . . 0.0 110.307 -178.413 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 7' ' ' MET . . . . . . . . . . . . . 47.4 mtm -62.81 -40.11 96.37 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 120.777 -1.202 . . . . 0.0 109.097 179.678 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 56.2 t -68.32 -40.01 81.84 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.507 0 O-C-N 121.21 -0.931 . . . . 0.0 108.727 179.571 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.92 -39.98 93.91 Favored 'General case' 0 C--N 1.303 -1.434 0 O-C-N 121.576 -0.702 . . . . 0.0 110.21 179.888 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -60.05 -44.23 94.84 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.164 -0.96 . . . . 0.0 108.784 -179.018 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 96.5 mt -68.79 -41.21 82.21 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.553 0 O-C-N 121.16 -0.962 . . . . 0.0 109.705 179.894 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 12' ' ' ASP . . . . . 0.418 ' C ' ' OD1' ' B' ' 12' ' ' ASP . 51.4 t0 -64.94 -50.02 68.08 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.23 -0.919 . . . . 0.0 110.379 -179.458 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 53.5 t -62.07 -40.77 88.63 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.505 0 O-C-N 121.14 -0.975 . . . . 0.0 109.72 -179.002 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 14' ' ' PHE . . . . . 0.433 ' O ' ' OG ' ' B' ' 18' ' ' SER . 64.7 t80 -60.01 -43.18 95.4 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.219 -0.926 . . . . 0.0 110.166 -179.642 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 2.4 t60 -59.95 -50.03 75.36 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.046 -1.034 . . . . 0.0 110.459 -178.912 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 27.2 mt-30 -67.11 -39.96 86.79 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 120.843 -1.16 . . . . 0.0 108.869 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 27.1 t80 -69.06 -32.51 72.03 Favored 'General case' 0 N--CA 1.488 1.445 0 O-C-N 121.526 -0.734 . . . . 0.0 109.72 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 18' ' ' SER . . . . . 0.433 ' OG ' ' O ' ' B' ' 14' ' ' PHE . 48.3 m -60.18 -46.2 90.5 Favored 'General case' 0 C--N 1.3 -1.566 0 O-C-N 120.459 -1.4 . . . . 0.0 109.746 -179.555 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -83.43 20.31 11.47 Favored Glycine 0 N--CA 1.497 2.766 0 O-C-N 121.312 -0.867 . . . . 0.0 111.824 -179.068 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.03 -40.04 87.99 Favored 'General case' 0 N--CA 1.5 2.037 0 O-C-N 120.411 -1.641 . . . . 0.0 110.18 -178.965 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 6.4 tt0 -120.02 -158.67 0.75 Allowed 'General case' 0 N--CA 1.505 2.297 0 O-C-N 121.34 -0.85 . . . . 0.0 109.844 -179.267 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . -59.96 -39.72 95.98 Favored Glycine 0 N--CA 1.492 2.374 0 N-CA-C 110.848 -0.901 . . . . 0.0 110.848 -179.048 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 23' ' ' ASP . . . . . 0.533 ' OD1' ' N ' ' B' ' 23' ' ' ASP . 18.1 p-10 -53.91 138.84 35.59 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 120.923 -1.34 . . . . 0.0 109.962 -179.113 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 87.3 tttt -90.21 -80.04 0.33 Allowed 'General case' 0 N--CA 1.495 1.818 0 O-C-N 121.682 -0.636 . . . . 0.0 111.386 -178.91 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 25' ' ' HIS . . . . . . . . . . . . . 18.1 p80 -105.58 25.91 10.17 Favored 'General case' 0 N--CA 1.502 2.156 0 O-C-N 121.371 -0.83 . . . . 0.0 110.833 -178.092 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 16.1 ptmt -136.64 153.38 50.94 Favored 'General case' 0 N--CA 1.497 1.882 0 N-CA-C 108.195 -1.039 . . . . 0.0 108.195 179.183 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 82.8 mt -103.91 136.92 42.66 Favored 'General case' 0 N--CA 1.499 1.985 0 O-C-N 121.225 -0.922 . . . . 0.0 110.176 -178.462 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 31.7 ttmt -92.92 163.35 13.71 Favored 'General case' 0 N--CA 1.491 1.592 0 N-CA-C 108.666 -0.865 . . . . 0.0 108.666 179.775 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 66.7 mttm -60.04 -41.32 92.0 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.024 -1.047 . . . . 0.0 109.832 -179.598 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 72.0 m -60.88 -40.52 93.34 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.25 -0.906 . . . . 0.0 110.726 -179.299 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 31' ' ' GLU . . . . . 0.428 ' OE1' ' OD2' ' B' ' 23' ' ' ASP . 97.6 mt-10 -60.16 -39.96 88.25 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.097 -1.002 . . . . 0.0 110.337 -179.604 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 42.7 tp -59.97 -48.51 81.4 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.029 -1.045 . . . . 0.0 108.606 -179.576 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 33' ' ' LYS . . . . . 0.401 ' HZ3' ' HG2' ' B' ' 50' ' ' GLN . 87.9 tttt -60.08 -43.43 95.51 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.256 -0.903 . . . . 0.0 109.403 179.673 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 85.1 tt0 -63.24 -39.93 96.01 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.323 -0.861 . . . . 0.0 109.833 -179.701 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 27.6 tp -60.08 -43.26 95.63 Favored 'General case' 0 N--CA 1.489 1.523 0 N-CA-C 108.462 -0.94 . . . . 0.0 108.462 -179.769 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 89.8 mt -61.98 -44.62 99.17 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.572 0 O-C-N 121.354 -0.841 . . . . 0.0 109.559 179.713 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 37' ' ' ASN . . . . . 0.414 ' O ' ' C ' ' B' ' 38' ' ' ASN . 25.7 m120 -60.06 -39.93 87.71 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 121.519 -0.738 . . . . 0.0 111.325 -179.053 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 38' ' ' ASN . . . . . 0.414 ' C ' ' O ' ' B' ' 37' ' ' ASN . 18.1 m120 -41.96 -81.62 0.01 OUTLIER 'General case' 0 N--CA 1.496 1.842 0 O-C-N 121.212 -0.93 . . . . 0.0 110.828 -178.535 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 89.0 mt-10 -144.13 -1.19 0.96 Allowed 'General case' 0 N--CA 1.499 1.986 0 O-C-N 120.949 -1.094 . . . . 0.0 110.103 -179.737 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 10.3 mp -85.7 -6.76 59.09 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.028 -1.045 . . . . 0.0 108.986 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 41' ' ' SER . . . . . 0.447 ' O ' ' O ' ' B' ' 44' ' ' LEU . 77.3 p -66.78 -40.07 88.04 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.143 -0.973 . . . . 0.0 109.37 179.504 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 42' ' ' HIS . . . . . . . . . . . . . 68.1 m80 -62.06 -40.5 96.01 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.064 -1.023 . . . . 0.0 109.808 -179.709 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 30.5 t80 -70.03 -39.94 75.47 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.158 -0.964 . . . . 0.0 109.978 -179.608 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 44' ' ' LEU . . . . . 0.447 ' O ' ' O ' ' B' ' 41' ' ' SER . 33.3 mt -99.56 132.66 44.75 Favored 'General case' 0 N--CA 1.499 2.013 0 O-C-N 121.205 -0.935 . . . . 0.0 110.189 -179.148 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 45' ' ' GLU . . . . . 0.402 ' HG2' ' H ' ' B' ' 46' ' ' GLU . 44.4 tt0 -89.3 -137.02 0.12 Allowed 'General case' 0 N--CA 1.491 1.596 0 N-CA-C 108.553 -0.906 . . . . 0.0 108.553 179.479 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 46' ' ' GLU . . . . . 0.408 ' O ' ' C ' ' B' ' 47' ' ' ILE . 97.6 mt-10 45.71 -136.97 0.62 Allowed 'General case' 0 N--CA 1.494 1.731 0 O-C-N 121.102 -0.999 . . . . 0.0 110.063 179.29 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 47' ' ' ILE . . . . . 0.408 ' C ' ' O ' ' B' ' 46' ' ' GLU . 23.5 mm 40.96 59.94 0.2 Allowed 'Isoleucine or valine' 0 N--CA 1.499 1.995 0 O-C-N 121.487 -0.758 . . . . 0.0 110.124 -179.732 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 10.0 mtpm? -102.44 -18.67 15.25 Favored 'General case' 0 N--CA 1.496 1.864 0 O-C-N 121.204 -0.935 . . . . 0.0 110.505 -179.684 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 75.4 mt-10 -137.82 159.45 41.95 Favored 'General case' 0 N--CA 1.503 2.221 0 O-C-N 120.997 -1.065 . . . . 0.0 110.779 -179.102 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 50' ' ' GLN . . . . . 0.401 ' HG2' ' HZ3' ' B' ' 33' ' ' LYS . 35.8 mt-30 -66.71 -40.01 88.27 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.687 -0.633 . . . . 0.0 110.324 -179.78 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 63.6 mm-40 -59.98 -39.51 85.93 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.271 -0.893 . . . . 0.0 110.047 -179.628 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 54.2 t -59.98 -40.11 82.11 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.627 0 O-C-N 121.28 -0.887 . . . . 0.0 110.239 -178.217 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 53.4 t -60.8 -42.89 94.06 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.532 0 O-C-N 120.729 -1.232 . . . . 0.0 110.038 -179.745 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 98.4 m-20 -65.33 -41.74 93.63 Favored 'General case' 0 N--CA 1.496 1.845 0 O-C-N 120.972 -1.08 . . . . 0.0 110.864 -179.145 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 1.4 mptm? -69.34 -39.94 77.86 Favored 'General case' 0 N--CA 1.495 1.779 0 O-C-N 121.024 -1.047 . . . . 0.0 110.31 -179.437 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 53.7 t -60.07 -42.64 90.59 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.646 0 O-C-N 121.154 -0.966 . . . . 0.0 110.767 -177.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 57' ' ' MET . . . . . . . . . . . . . 96.8 mtp -60.08 -42.25 94.21 Favored 'General case' 0 C--N 1.301 -1.511 0 O-C-N 120.902 -1.124 . . . . 0.0 110.316 -178.598 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 46.6 tt0 -64.14 -45.4 88.67 Favored 'General case' 0 N--CA 1.493 1.675 0 O-C-N 120.758 -1.214 . . . . 0.0 110.311 -179.562 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 94.2 m -69.14 -46.09 68.47 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.053 -1.03 . . . . 0.0 110.142 -179.364 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 3.7 tp -69.92 -36.35 75.29 Favored 'General case' 0 C--N 1.3 -1.546 0 O-C-N 121.322 -0.861 . . . . 0.0 110.297 -178.894 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 61' ' ' ASP . . . . . 0.431 ' OD1' ' OD1' ' B' ' 63' ' ' ASP . 57.0 t0 -69.36 120.49 15.25 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 120.979 -1.075 . . . . 0.0 109.67 -179.132 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 76.7 mm-40 -67.69 -39.98 84.38 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.474 -0.766 . . . . 0.0 110.407 -179.326 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 63' ' ' ASP . . . . . 0.431 ' OD1' ' OD1' ' B' ' 61' ' ' ASP . 10.0 p-10 -95.67 -16.56 21.94 Favored 'General case' 0 N--CA 1.5 2.025 0 O-C-N 120.996 -1.065 . . . . 0.0 110.547 -179.168 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 64' ' ' GLY . . . . . 0.419 ' H ' ' CG ' ' B' ' 61' ' ' ASP . . . 46.86 57.28 6.94 Favored Glycine 0 N--CA 1.494 2.528 0 N-CA-C 109.835 -1.306 . . . . 0.0 109.835 179.649 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 65' ' ' ASP . . . . . 0.417 ' O ' ' OE1' ' B' ' 67' ' ' GLU . 34.6 p-10 -89.99 -0.72 57.73 Favored 'General case' 0 N--CA 1.496 1.827 0 O-C-N 121.23 -1.159 . . . . 0.0 109.723 -179.71 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 88.96 -9.07 78.16 Favored Glycine 0 N--CA 1.495 2.61 0 N-CA-C 109.532 -1.427 . . . . 0.0 109.532 179.774 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 67' ' ' GLU . . . . . 0.417 ' OE1' ' O ' ' B' ' 65' ' ' ASP . 31.3 mp0 -132.46 139.64 48.07 Favored 'General case' 0 N--CA 1.496 1.861 0 O-C-N 121.531 -0.981 . . . . 0.0 108.504 179.889 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 68' ' ' CYS . . . . . . . . . . . . . 11.2 t -92.85 112.63 24.66 Favored 'General case' 0 N--CA 1.495 1.797 0 O-C-N 120.893 -1.129 . . . . 0.0 109.05 179.632 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 92.8 m-20 -88.24 169.27 12.02 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.472 -0.767 . . . . 0.0 109.274 -179.747 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 51.3 t80 -60.03 -42.29 94.08 Favored 'General case' 0 N--CA 1.487 1.383 0 O-C-N 121.203 -0.935 . . . . 0.0 108.57 -179.691 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 59.8 tt0 -59.99 -43.77 94.94 Favored 'General case' 0 N--CA 1.49 1.534 0 N-CA-C 108.29 -1.004 . . . . 0.0 108.29 178.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 69.0 mt-10 -66.77 -39.89 88.02 Favored 'General case' 0 N--CA 1.488 1.463 0 N-CA-C 108.608 -0.886 . . . . 0.0 108.608 179.175 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 73' ' ' PHE . . . . . . . . . . . . . 64.1 t80 -59.91 -38.99 83.9 Favored 'General case' 0 N--CA 1.487 1.395 0 N-CA-C 108.396 -0.964 . . . . 0.0 108.396 179.836 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 74' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -60.0 -40.03 87.8 Favored 'General case' 0 C--N 1.303 -1.438 0 N-CA-C 108.033 -1.099 . . . . 0.0 108.033 179.749 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -61.45 -37.03 82.06 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.383 -0.823 . . . . 0.0 109.022 178.748 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 28.2 t80 -60.03 -49.04 79.22 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.511 -0.743 . . . . 0.0 110.044 -179.047 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 77' ' ' VAL . . . . . . . . . . . . . 62.6 t -69.65 -41.63 80.22 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.613 0 O-C-N 120.974 -1.079 . . . . 0.0 110.421 -179.319 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 78' ' ' SER . . . . . . . . . . . . . 48.3 t -63.42 -50.58 69.23 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 120.963 -1.086 . . . . 0.0 110.936 -178.858 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 79' ' ' MET . . . . . . . . . . . . . 22.4 ttt -61.01 -42.33 98.25 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 120.997 -1.064 . . . . 0.0 109.886 -179.399 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 42.6 t -65.94 -48.91 80.23 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.642 0 O-C-N 121.41 -0.806 . . . . 0.0 110.123 -179.768 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 81' ' ' THR . . . . . 0.507 ' O ' ' SG ' ' B' ' 84' ' ' CYS . 93.8 m -67.44 -46.71 72.29 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.109 -0.994 . . . . 0.0 110.115 -178.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 94.4 m -64.44 -39.97 94.84 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.147 -0.97 . . . . 0.0 109.865 -179.701 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 83' ' ' ALA . . . . . 0.547 ' O ' ' ND1' ' B' ' 85' ' ' HIS . . . -57.76 -22.04 44.72 Favored 'General case' 0 N--CA 1.494 1.725 0 O-C-N 121.42 -0.8 . . . . 0.0 110.938 -178.804 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 84' ' ' CYS . . . . . 0.575 ' O ' ' CG ' ' B' ' 85' ' ' HIS . 12.6 p -71.67 -41.77 68.31 Favored 'General case' 0 N--CA 1.494 1.767 0 O-C-N 120.809 -1.182 . . . . 0.0 109.794 -179.632 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 85' ' ' HIS . . . . . 0.575 ' CG ' ' O ' ' B' ' 84' ' ' CYS . 41.6 p-80 44.6 -176.23 0.01 OUTLIER 'General case' 0 N--CA 1.498 1.956 0 CA-C-O 121.469 0.652 . . . . 0.0 110.635 -179.576 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 86' ' ' GLU . . . . . 0.442 ' O ' ' O ' ' B' ' 85' ' ' HIS . 49.9 mm-40 43.35 -168.4 0.01 OUTLIER 'General case' 0 N--CA 1.494 1.771 0 O-C-N 121.387 -0.821 . . . . 0.0 110.141 -179.631 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 87' ' ' PHE . . . . . . . . . . . . . 7.1 m-85 -99.93 129.72 46.03 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.422 -0.799 . . . . 0.0 109.218 -179.858 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 45.4 t80 -84.41 130.74 34.75 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.119 -0.988 . . . . 0.0 109.155 179.877 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 45.8 tt0 -89.81 106.19 18.3 Favored 'General case' 0 N--CA 1.494 1.74 0 O-C-N 121.042 -1.036 . . . . 0.0 109.226 -179.927 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 90' ' ' HIS . . . . . . . . . . . . . 65.4 t60 -70.01 149.98 47.14 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.325 -0.859 . . . . 0.0 109.566 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 . . . . . 0 N--CA 1.49 1.558 0 CA-C-O 117.997 -1.001 . . . . 0.0 109.465 179.878 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 92' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 93' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 0' ' ' MET . . . . . 0.412 ' H1 ' ' H ' ' A' ' 1' ' ' SER . 13.4 ptt? . . . . . 0 N--CA 1.488 1.428 0 N-CA-C 109.369 -0.604 . . . . 0.0 109.369 . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' SER . . . . . 0.412 ' H ' ' H1 ' ' A' ' 0' ' ' MET . 28.5 t 50.95 83.89 0.05 OUTLIER 'General case' 0 N--CA 1.487 1.396 0 O-C-N 121.346 -0.846 . . . . 0.0 109.368 179.914 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 47.3 mt-10 -61.99 -34.98 77.17 Favored 'General case' 0 N--CA 1.49 1.555 0 N-CA-C 108.915 -0.772 . . . . 0.0 108.915 -179.93 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -60.27 -44.64 95.14 Favored 'General case' 0 N--CA 1.49 1.542 0 N-CA-C 108.11 -1.07 . . . . 0.0 108.11 179.649 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 87.5 tt0 -61.42 -40.03 92.92 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.071 -1.018 . . . . 0.0 109.25 179.289 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 57.6 mmtt -60.17 -39.15 85.42 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.346 -0.846 . . . . 0.0 109.891 179.68 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -59.86 -48.65 80.84 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.245 -0.909 . . . . 0.0 110.02 -178.599 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 95.4 mtp -65.31 -40.35 93.67 Favored 'General case' 0 C--N 1.302 -1.494 0 O-C-N 121.043 -1.036 . . . . 0.0 109.745 -179.585 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 79.2 t -68.24 -49.08 70.33 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.523 0 O-C-N 121.278 -0.889 . . . . 0.0 109.921 -179.7 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -62.39 -41.33 98.58 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.322 -0.861 . . . . 0.0 110.647 -179.267 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 8.7 tt -60.24 -40.62 90.87 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.043 -1.036 . . . . 0.0 109.346 -179.362 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 96.8 mt -67.54 -40.26 83.96 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.482 0 O-C-N 121.285 -0.885 . . . . 0.0 110.113 -179.42 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 97.4 m-20 -65.09 -40.55 94.78 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.002 -1.061 . . . . 0.0 109.727 -179.557 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 57.7 t -67.5 -42.52 87.1 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.902 0 O-C-N 120.915 -1.115 . . . . 0.0 110.43 -179.699 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 74.9 t80 -60.69 -41.66 95.59 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.082 -1.011 . . . . 0.0 109.97 -179.783 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 34.2 m170 -66.16 -38.45 88.13 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.136 -0.978 . . . . 0.0 110.105 179.653 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 63.3 tt0 -60.12 -55.56 32.4 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.104 -0.997 . . . . 0.0 110.733 -178.376 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 73.7 m-85 -71.51 -39.03 71.05 Favored 'General case' 0 C--N 1.3 -1.584 0 O-C-N 120.821 -1.175 . . . . 0.0 110.799 -179.3 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' SER . . . . . 0.451 ' O ' ' O ' ' A' ' 23' ' ' ASP . 51.7 p -71.35 -42.19 68.82 Favored 'General case' 0 N--CA 1.489 1.475 0 O-C-N 120.962 -1.086 . . . . 0.0 110.468 -178.893 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -67.85 0.92 8.9 Favored Glycine 0 N--CA 1.495 2.625 0 N-CA-C 109.967 -1.253 . . . . 0.0 109.967 -179.523 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . 0.462 ' HG2' HH11 ' A' ' 20' ' ' ARG . 7.4 ttt-85 -61.11 -39.59 90.55 Favored 'General case' 0 C--N 1.299 -1.605 0 O-C-N 121.415 -1.05 . . . . 0.0 109.679 179.64 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . 0.52 ' C ' ' H ' ' A' ' 23' ' ' ASP . 37.2 mt-10 -117.9 49.26 1.26 Allowed 'General case' 0 N--CA 1.503 2.21 0 O-C-N 121.601 -0.687 . . . . 0.0 110.655 -178.504 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 59.68 -2.06 0.42 Allowed Glycine 0 N--CA 1.488 2.157 0 C-N-CA 119.674 -1.25 . . . . 0.0 110.363 178.784 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . 0.52 ' H ' ' C ' ' A' ' 21' ' ' GLU . 77.7 m-20 -93.63 96.49 9.87 Favored 'General case' 0 N--CA 1.494 1.736 0 O-C-N 120.813 -1.404 . . . . 0.0 108.769 -179.802 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -96.2 -36.23 11.01 Favored 'General case' 0 N--CA 1.494 1.751 0 O-C-N 121.159 -0.963 . . . . 0.0 110.049 -179.506 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 76.7 m80 -99.66 1.18 43.26 Favored 'General case' 0 N--CA 1.498 1.975 0 O-C-N 121.23 -0.919 . . . . 0.0 110.601 -179.112 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -128.23 144.76 51.15 Favored 'General case' 0 N--CA 1.499 1.994 0 O-C-N 121.278 -0.889 . . . . 0.0 109.19 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.438 ' O ' ' SG ' ' A' ' 68' ' ' CYS . 44.2 tp -113.25 133.32 55.15 Favored 'General case' 0 N--CA 1.497 1.878 0 N-CA-C 108.263 -1.014 . . . . 0.0 108.263 179.856 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 40.3 tttm -96.2 152.33 18.66 Favored 'General case' 0 N--CA 1.494 1.756 0 O-C-N 121.311 -0.868 . . . . 0.0 110.369 -178.894 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.35 -40.0 89.16 Favored 'General case' 0 N--CA 1.494 1.773 0 CA-C-O 121.361 0.601 . . . . 0.0 110.352 -179.692 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 78.2 p -59.91 -39.94 87.12 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.259 -0.901 . . . . 0.0 109.571 -179.112 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 90.8 mt-10 -67.66 -30.36 69.89 Favored 'General case' 0 N--CA 1.487 1.421 0 O-C-N 121.191 -0.943 . . . . 0.0 109.954 179.741 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 3.7 tt -59.87 -50.11 75.05 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 120.947 -1.095 . . . . 0.0 109.612 -179.307 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 8.0 ttpm? -60.21 -41.3 92.71 Favored 'General case' 0 N--CA 1.497 1.878 0 O-C-N 120.437 -1.414 . . . . 0.0 110.139 -179.434 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 80.7 mm-40 -63.04 -39.82 95.87 Favored 'General case' 0 C--N 1.299 -1.628 0 O-C-N 121.048 -1.033 . . . . 0.0 109.87 179.902 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 6.3 tt -60.04 -45.86 91.43 Favored 'General case' 0 N--CA 1.488 1.447 0 O-C-N 121.281 -0.887 . . . . 0.0 109.668 -179.647 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 96.7 mt -60.36 -42.34 90.48 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.524 0 O-C-N 121.376 -0.827 . . . . 0.0 109.549 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 41.4 t30 -60.99 -39.09 88.36 Favored 'General case' 0 N--CA 1.496 1.859 0 O-C-N 121.453 -0.779 . . . . 0.0 110.145 179.492 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . 0.473 ' ND2' ' OE1' ' A' ' 39' ' ' GLU . 56.3 t30 -43.78 -90.74 0.0 OUTLIER 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.219 -0.926 . . . . 0.0 110.721 -178.807 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . 0.473 ' OE1' ' ND2' ' A' ' 38' ' ' ASN . 8.5 mp0 -144.21 43.87 1.43 Allowed 'General case' 0 N--CA 1.5 2.048 0 O-C-N 120.845 -1.159 . . . . 0.0 109.945 -179.503 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 3.4 tp -130.75 10.67 5.13 Favored 'General case' 0 N--CA 1.505 2.301 0 O-C-N 120.905 -1.122 . . . . 0.0 109.605 -179.584 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' SER . . . . . 0.476 ' O ' ' O ' ' A' ' 44' ' ' LEU . 71.0 m -70.06 -27.02 64.29 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.389 -0.819 . . . . 0.0 109.402 179.836 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 72.4 m80 -61.36 -39.72 91.67 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 120.908 -1.12 . . . . 0.0 109.583 -179.827 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 81.4 m-85 -69.79 -36.93 76.12 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.163 -0.961 . . . . 0.0 110.515 -179.396 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.476 ' O ' ' O ' ' A' ' 41' ' ' SER . 6.7 mp -105.22 138.65 41.09 Favored 'General case' 0 N--CA 1.506 2.353 0 O-C-N 121.006 -1.059 . . . . 0.0 109.833 -179.879 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 88.3 tt0 -143.16 75.51 1.48 Allowed 'General case' 0 N--CA 1.498 1.945 0 O-C-N 121.19 -0.944 . . . . 0.0 108.823 179.102 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -172.81 0.12 0.01 OUTLIER 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.139 -0.976 . . . . 0.0 109.341 -179.685 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 86.2 mt -95.7 122.23 46.99 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.063 0 O-C-N 121.295 -0.878 . . . . 0.0 110.104 -179.602 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 54.0 mttm -127.91 -63.22 1.03 Allowed 'General case' 0 N--CA 1.504 2.252 0 O-C-N 121.426 -0.796 . . . . 0.0 109.989 179.677 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 49.0 tp10 -95.43 153.68 17.57 Favored 'General case' 0 N--CA 1.495 1.817 0 O-C-N 121.728 -0.608 . . . . 0.0 109.883 -178.785 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 28.6 mp0 -60.04 -33.3 71.85 Favored 'General case' 0 N--CA 1.498 1.936 0 O-C-N 121.288 -0.883 . . . . 0.0 109.477 -179.557 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 76.2 mm-40 -59.43 -38.92 81.89 Favored 'General case' 0 C--N 1.3 -1.552 0 O-C-N 121.306 -0.871 . . . . 0.0 109.831 -179.158 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 51.4 t -60.16 -41.86 88.16 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.718 0 O-C-N 120.994 -1.066 . . . . 0.0 109.192 179.549 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 52.9 t -60.89 -41.14 87.72 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.556 0 O-C-N 121.223 -0.923 . . . . 0.0 109.596 179.369 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 67.3 t0 -60.61 -45.44 94.03 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.282 -0.886 . . . . 0.0 110.142 -179.356 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 53.5 tptt -59.82 -45.78 91.3 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.057 -1.027 . . . . 0.0 108.603 -179.496 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 54.4 t -61.74 -39.94 85.1 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.647 0 O-C-N 121.528 -0.732 . . . . 0.0 109.78 179.2 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' MET . . . . . 0.437 ' SD ' ' OD1' ' A' ' 61' ' ' ASP . 0.0 OUTLIER -59.29 -40.08 85.0 Favored 'General case' 0 C--N 1.3 -1.563 0 O-C-N 121.281 -0.887 . . . . 0.0 109.653 -178.449 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 53.0 tp10 -61.69 -44.93 95.99 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.032 -1.043 . . . . 0.0 109.594 179.653 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 94.4 m -63.68 -40.38 96.68 Favored 'General case' 0 N--CA 1.5 2.072 0 O-C-N 121.08 -1.013 . . . . 0.0 110.908 -179.042 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -67.41 -40.26 85.55 Favored 'General case' 0 N--CA 1.496 1.848 0 O-C-N 121.173 -0.955 . . . . 0.0 110.571 -178.348 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . 0.437 ' OD1' ' SD ' ' A' ' 57' ' ' MET . 1.1 m-20 -76.7 117.35 18.23 Favored 'General case' 0 C--N 1.3 -1.559 0 O-C-N 121.073 -1.017 . . . . 0.0 109.217 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 64.5 mm-40 -66.87 -40.3 87.8 Favored 'General case' 0 N--CA 1.495 1.811 0 O-C-N 121.336 -0.853 . . . . 0.0 110.579 -178.894 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . 0.44 ' OD2' ' OD2' ' A' ' 65' ' ' ASP . 28.3 p-10 -100.84 0.81 39.29 Favored 'General case' 0 N--CA 1.5 2.027 0 O-C-N 121.262 -0.899 . . . . 0.0 110.566 -179.238 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 57.2 51.5 57.16 Favored Glycine 0 N--CA 1.493 2.49 0 N-CA-C 109.929 -1.269 . . . . 0.0 109.929 179.863 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . 0.44 ' OD2' ' OD2' ' A' ' 63' ' ' ASP . 96.8 m-20 -71.92 -20.62 61.74 Favored 'General case' 0 N--CA 1.494 1.739 0 O-C-N 121.284 -1.127 . . . . 0.0 110.226 -179.79 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 89.56 -7.87 81.01 Favored Glycine 0 N--CA 1.493 2.437 0 N-CA-C 109.61 -1.396 . . . . 0.0 109.61 -179.93 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 86.1 tt0 -136.29 143.13 44.04 Favored 'General case' 0 N--CA 1.498 1.955 0 O-C-N 121.312 -1.11 . . . . 0.0 108.471 179.339 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' CYS . . . . . 0.438 ' SG ' ' O ' ' A' ' 27' ' ' LEU . 2.9 p -98.52 118.48 35.31 Favored 'General case' 0 N--CA 1.494 1.748 0 O-C-N 121.611 -0.681 . . . . 0.0 110.164 -178.89 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . 0.411 ' C ' ' OD1' ' A' ' 69' ' ' ASP . 39.0 p-10 -93.44 177.54 6.0 Favored 'General case' 0 N--CA 1.5 2.027 0 O-C-N 121.243 -0.91 . . . . 0.0 109.663 179.805 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 66.0 t80 -59.85 -41.44 91.45 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.34 -0.85 . . . . 0.0 110.244 -179.564 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 7.2 tt0 -60.17 -44.46 95.02 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 121.018 -1.051 . . . . 0.0 110.178 179.872 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -70.3 -29.83 66.67 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.219 -0.926 . . . . 0.0 109.569 179.74 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 75.4 t80 -59.76 -45.0 93.6 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.145 -0.972 . . . . 0.0 108.948 179.849 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 9.2 mmt -60.09 -40.53 89.92 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.275 -0.891 . . . . 0.0 108.983 178.76 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -60.65 -40.48 92.16 Favored 'General case' 0 C--N 1.304 -1.4 0 O-C-N 121.191 -0.943 . . . . 0.0 109.71 179.927 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 70.9 t80 -60.2 -42.38 94.97 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.369 -0.832 . . . . 0.0 110.946 -179.758 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 53.1 t -64.07 -45.94 95.19 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.592 0 O-C-N 121.054 -1.029 . . . . 0.0 108.962 -179.126 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 58.4 m -63.09 -41.03 99.31 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.348 -0.845 . . . . 0.0 110.374 -179.535 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 31.1 mmm -62.87 -40.29 97.04 Favored 'General case' 0 C--N 1.3 -1.554 0 O-C-N 120.875 -1.14 . . . . 0.0 110.126 -178.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 53.7 t -67.42 -42.51 87.35 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.75 0 O-C-N 120.974 -1.079 . . . . 0.0 110.491 179.816 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 19.4 p -64.8 -40.82 95.86 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 120.818 -1.176 . . . . 0.0 110.187 -179.318 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' THR . . . . . 0.413 ' HG1' ' N ' ' A' ' 83' ' ' ALA . 75.6 p -68.64 -39.81 80.56 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.276 -0.89 . . . . 0.0 109.995 -179.911 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . 0.413 ' N ' ' HG1' ' A' ' 82' ' ' THR . . . -68.52 -40.08 80.95 Favored 'General case' 0 C--N 1.301 -1.511 0 O-C-N 121.407 -0.808 . . . . 0.0 109.486 -179.451 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 17.8 t -73.36 142.29 47.04 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.338 -0.851 . . . . 0.0 108.74 179.59 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 52.6 m170 -76.51 141.07 41.38 Favored 'General case' 0 C--N 1.303 -1.44 0 O-C-N 121.443 -0.786 . . . . 0.0 110.243 -179.022 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 41.0 mt-10 -70.46 -154.73 0.02 OUTLIER 'General case' 0 C--N 1.302 -1.483 0 N-CA-C 108.795 -0.817 . . . . 0.0 108.795 179.402 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 36.4 t80 55.44 90.82 0.03 OUTLIER 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.256 -0.903 . . . . 0.0 109.765 179.772 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . 0.541 ' CG ' ' N ' ' A' ' 89' ' ' GLU . 47.6 t80 -152.81 -166.98 2.61 Favored 'General case' 0 N--CA 1.492 1.64 0 N-CA-C 108.42 -0.955 . . . . 0.0 108.42 179.126 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . 0.541 ' N ' ' CG ' ' A' ' 88' ' ' PHE . 25.4 mp0 48.04 -140.07 0.65 Allowed 'General case' 0 N--CA 1.493 1.722 0 O-C-N 120.846 -1.159 . . . . 0.0 109.007 -178.679 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 49.3 m80 -70.03 151.46 45.51 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.151 -0.968 . . . . 0.0 108.88 179.543 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 16.7 pt-20 . . . . . 0 N--CA 1.495 1.808 0 CA-C-O 117.887 -1.054 . . . . 0.0 110.002 -179.391 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 0' ' ' MET . . . . . 0.405 ' H1 ' ' H ' ' B' ' 1' ' ' SER . 13.9 ptt? . . . . . 0 N--CA 1.489 1.503 0 CA-C-O 121.196 0.522 . . . . 0.0 109.954 . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 1' ' ' SER . . . . . 0.577 ' HG ' ' H ' ' B' ' 4' ' ' GLU . 30.3 t 51.51 83.56 0.05 Allowed 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.159 -0.963 . . . . 0.0 109.615 -179.724 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 46.0 mt-10 -61.58 -36.71 81.45 Favored 'General case' 0 N--CA 1.494 1.742 0 O-C-N 121.429 -0.794 . . . . 0.0 108.901 179.83 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -58.36 -46.62 85.94 Favored 'General case' 0 N--CA 1.488 1.469 0 N-CA-C 108.196 -1.038 . . . . 0.0 108.196 179.443 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 4' ' ' GLU . . . . . 0.577 ' H ' ' HG ' ' B' ' 1' ' ' SER . 87.7 tt0 -60.01 -40.21 88.46 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 120.887 -1.133 . . . . 0.0 109.672 179.081 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 57.7 mmtt -59.99 -39.07 84.49 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.22 -0.925 . . . . 0.0 109.672 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -59.94 -48.93 79.69 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.223 -0.923 . . . . 0.0 110.224 -178.731 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 7' ' ' MET . . . . . . . . . . . . . 94.0 mtp -64.71 -40.2 94.95 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 120.945 -1.097 . . . . 0.0 110.209 -179.877 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 58.0 t -68.7 -47.51 76.16 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.558 0 O-C-N 121.187 -0.946 . . . . 0.0 109.837 -179.813 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -64.38 -40.01 94.98 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.387 -0.821 . . . . 0.0 110.314 -178.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 7.6 tt -61.05 -40.81 95.06 Favored 'General case' 0 C--N 1.302 -1.459 0 O-C-N 121.116 -0.99 . . . . 0.0 109.399 -179.141 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 11' ' ' ILE . . . . . 0.406 HD11 HG22 ' B' ' 11' ' ' ILE . 96.9 mt -67.44 -40.48 84.62 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.49 0 O-C-N 121.248 -0.908 . . . . 0.0 110.45 -179.525 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 96.8 m-20 -64.38 -40.07 95.09 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.024 -1.048 . . . . 0.0 109.81 -179.764 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 61.0 t -68.35 -42.79 84.46 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.747 0 O-C-N 121.091 -1.006 . . . . 0.0 110.109 -179.738 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 14' ' ' PHE . . . . . . . . . . . . . 71.6 t80 -60.45 -42.16 95.57 Favored 'General case' 0 N--CA 1.495 1.776 0 O-C-N 120.953 -1.092 . . . . 0.0 110.025 -179.802 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 34.4 m170 -65.29 -38.79 91.31 Favored 'General case' 0 C--N 1.298 -1.653 0 O-C-N 121.287 -0.883 . . . . 0.0 110.197 179.722 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 63.5 tt0 -60.02 -56.34 22.85 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.096 -1.002 . . . . 0.0 110.722 -178.154 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 71.0 m-85 -70.19 -39.59 75.11 Favored 'General case' 0 C--N 1.297 -1.688 0 O-C-N 121.03 -1.043 . . . . 0.0 110.978 -179.678 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 18' ' ' SER . . . . . 0.464 ' O ' ' O ' ' B' ' 23' ' ' ASP . 55.8 p -71.79 -41.24 68.53 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 120.791 -1.193 . . . . 0.0 110.403 -178.819 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -67.84 -0.77 14.92 Favored Glycine 0 N--CA 1.495 2.631 0 N-CA-C 109.856 -1.298 . . . . 0.0 109.856 -179.661 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 20' ' ' ARG . . . . . 0.466 ' HG2' HH11 ' B' ' 20' ' ' ARG . 6.2 ttt-85 -60.17 -39.8 87.72 Favored 'General case' 0 C--N 1.295 -1.763 0 O-C-N 121.361 -1.082 . . . . 0.0 109.649 179.857 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 21' ' ' GLU . . . . . 0.54 ' C ' ' H ' ' B' ' 23' ' ' ASP . 37.9 mt-10 -117.54 49.58 1.2 Allowed 'General case' 0 N--CA 1.503 2.21 0 O-C-N 121.404 -0.81 . . . . 0.0 110.834 -178.67 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . 58.48 -1.1 0.31 Allowed Glycine 0 N--CA 1.489 2.168 0 C-N-CA 119.951 -1.119 . . . . 0.0 110.391 179.219 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 23' ' ' ASP . . . . . 0.54 ' H ' ' C ' ' B' ' 21' ' ' GLU . 83.5 m-20 -92.8 95.9 9.82 Favored 'General case' 0 N--CA 1.496 1.833 0 O-C-N 120.98 -1.306 . . . . 0.0 108.681 179.744 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 97.6 mttt -97.03 -35.7 10.74 Favored 'General case' 0 N--CA 1.496 1.846 0 O-C-N 120.997 -1.064 . . . . 0.0 110.32 -179.378 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 25' ' ' HIS . . . . . . . . . . . . . 77.4 m80 -99.76 0.75 42.31 Favored 'General case' 0 N--CA 1.498 1.942 0 O-C-N 121.264 -0.897 . . . . 0.0 110.177 -179.214 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -127.48 145.71 50.75 Favored 'General case' 0 N--CA 1.501 2.091 0 O-C-N 121.462 -0.774 . . . . 0.0 109.225 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 27' ' ' LEU . . . . . 0.418 ' O ' ' SG ' ' B' ' 68' ' ' CYS . 41.4 tp -115.06 134.39 55.22 Favored 'General case' 0 N--CA 1.498 1.933 0 N-CA-C 108.253 -1.017 . . . . 0.0 108.253 179.892 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 39.2 tttm -97.47 151.22 20.21 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.39 -0.819 . . . . 0.0 110.724 -178.847 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -59.81 -39.57 85.48 Favored 'General case' 0 N--CA 1.498 1.965 0 CA-C-N 116.233 -0.439 . . . . 0.0 109.965 -179.481 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 30' ' ' SER . . . . . 0.564 ' HG ' ' N ' ' B' ' 31' ' ' GLU . 89.1 p -59.83 -39.89 86.61 Favored 'General case' 0 N--CA 1.496 1.836 0 O-C-N 121.242 -0.911 . . . . 0.0 109.538 -179.538 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 31' ' ' GLU . . . . . 0.564 ' N ' ' HG ' ' B' ' 30' ' ' SER . 89.8 mt-10 -67.7 -30.9 70.52 Favored 'General case' 0 C--N 1.302 -1.495 0 O-C-N 121.192 -0.942 . . . . 0.0 109.728 179.821 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 3.5 tt -59.96 -50.4 73.89 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 120.931 -1.105 . . . . 0.0 109.693 -179.308 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 7.8 ttpm? -59.78 -41.39 91.03 Favored 'General case' 0 N--CA 1.496 1.839 0 O-C-N 120.318 -1.489 . . . . 0.0 110.025 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 80.7 mm-40 -63.09 -39.64 95.31 Favored 'General case' 0 C--N 1.299 -1.604 0 O-C-N 120.886 -1.134 . . . . 0.0 109.883 -179.889 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 5.9 tt -60.33 -45.95 91.62 Favored 'General case' 0 C--N 1.301 -1.536 0 O-C-N 121.283 -0.886 . . . . 0.0 109.3 -179.223 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 97.1 mt -60.24 -42.6 90.99 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.405 0 O-C-N 121.149 -0.97 . . . . 0.0 109.786 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 40.5 t30 -60.33 -39.69 87.95 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.466 -0.771 . . . . 0.0 109.902 -179.771 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 38' ' ' ASN . . . . . 0.537 ' ND2' ' OE1' ' B' ' 39' ' ' GLU . 55.1 t30 -42.78 -91.89 0.0 OUTLIER 'General case' 0 N--CA 1.496 1.84 0 O-C-N 121.561 -0.712 . . . . 0.0 110.638 -178.966 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 39' ' ' GLU . . . . . 0.537 ' OE1' ' ND2' ' B' ' 38' ' ' ASN . 9.1 mp0 -143.66 44.34 1.49 Allowed 'General case' 0 N--CA 1.5 2.062 0 O-C-N 120.721 -1.237 . . . . 0.0 110.033 -179.441 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 4.0 tp -130.64 10.66 5.18 Favored 'General case' 0 N--CA 1.506 2.344 0 O-C-N 121.036 -1.04 . . . . 0.0 109.36 -179.931 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 41' ' ' SER . . . . . 0.441 ' O ' ' O ' ' B' ' 44' ' ' LEU . 58.5 m -70.54 -25.55 63.16 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.04 -1.038 . . . . 0.0 109.614 -179.673 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 42' ' ' HIS . . . . . . . . . . . . . 74.0 m80 -61.57 -40.24 94.02 Favored 'General case' 0 C--N 1.302 -1.475 0 O-C-N 121.107 -0.996 . . . . 0.0 109.184 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 80.6 m-85 -69.37 -36.48 76.86 Favored 'General case' 0 N--CA 1.495 1.807 0 O-C-N 121.196 -0.94 . . . . 0.0 110.694 -179.431 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 44' ' ' LEU . . . . . 0.441 ' O ' ' O ' ' B' ' 41' ' ' SER . 6.1 mp -106.17 135.46 47.61 Favored 'General case' 0 N--CA 1.505 2.288 0 O-C-N 121.056 -1.027 . . . . 0.0 110.15 -179.613 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 88.2 tt0 -140.3 76.61 1.57 Allowed 'General case' 0 N--CA 1.498 1.932 0 O-C-N 121.155 -0.965 . . . . 0.0 108.945 178.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -173.21 -1.8 0.01 OUTLIER 'General case' 0 N--CA 1.494 1.746 0 O-C-N 121.109 -0.994 . . . . 0.0 109.638 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 95.8 mt -94.18 123.79 46.42 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.079 0 O-C-N 121.126 -0.984 . . . . 0.0 110.024 -179.43 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 53.3 mttm -129.78 -63.29 0.93 Allowed 'General case' 0 N--CA 1.502 2.145 0 O-C-N 121.337 -0.852 . . . . 0.0 109.911 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 49.8 tp10 -95.24 153.03 17.86 Favored 'General case' 0 N--CA 1.497 1.919 0 O-C-N 121.581 -0.699 . . . . 0.0 109.569 -178.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 28.5 mp0 -60.09 -32.49 71.01 Favored 'General case' 0 N--CA 1.5 2.055 0 O-C-N 120.973 -1.079 . . . . 0.0 109.82 -179.268 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 75.9 mm-40 -59.61 -39.28 83.7 Favored 'General case' 0 C--N 1.299 -1.599 0 O-C-N 121.606 -0.684 . . . . 0.0 109.292 -179.04 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 55.4 t -60.0 -41.95 87.93 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.85 0 C-N-CA 119.175 -1.01 . . . . 0.0 108.911 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 53.4 t -60.69 -41.52 88.55 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.75 0 O-C-N 121.165 -0.959 . . . . 0.0 109.229 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 67.0 t0 -59.99 -44.98 94.17 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.329 -0.857 . . . . 0.0 110.386 -179.652 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 51.9 tptt -60.09 -46.34 89.91 Favored 'General case' 0 N--CA 1.495 1.793 0 O-C-N 120.767 -1.208 . . . . 0.0 108.473 -179.859 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 53.6 t -61.51 -39.83 84.33 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.599 0 O-C-N 121.359 -0.838 . . . . 0.0 109.701 179.326 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 57' ' ' MET . . . . . 0.445 ' SD ' ' OD1' ' B' ' 61' ' ' ASP . 0.0 OUTLIER -59.3 -40.09 85.1 Favored 'General case' 0 C--N 1.3 -1.583 0 O-C-N 121.168 -0.958 . . . . 0.0 109.558 -178.252 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 53.1 tp10 -61.73 -44.65 96.5 Favored 'General case' 0 N--CA 1.488 1.465 0 O-C-N 120.785 -1.197 . . . . 0.0 109.647 179.594 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 94.1 m -63.93 -40.34 96.22 Favored 'General case' 0 N--CA 1.5 2.054 0 O-C-N 121.152 -0.967 . . . . 0.0 110.871 -178.771 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -67.6 -39.93 84.79 Favored 'General case' 0 N--CA 1.495 1.788 0 O-C-N 121.266 -0.896 . . . . 0.0 110.63 -178.879 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 61' ' ' ASP . . . . . 0.445 ' OD1' ' SD ' ' B' ' 57' ' ' MET . 1.1 m-20 -77.05 117.37 18.56 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 120.792 -1.192 . . . . 0.0 109.126 -179.709 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 65.3 mm-40 -66.41 -41.23 89.58 Favored 'General case' 0 N--CA 1.496 1.833 0 O-C-N 121.3 -0.875 . . . . 0.0 111.068 -179.103 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 63' ' ' ASP . . . . . 0.446 ' OD2' ' OD2' ' B' ' 65' ' ' ASP . 28.1 p-10 -100.12 -0.31 39.19 Favored 'General case' 0 N--CA 1.499 1.989 0 O-C-N 121.246 -0.909 . . . . 0.0 110.311 -178.947 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 59.25 50.7 65.01 Favored Glycine 0 N--CA 1.492 2.416 0 N-CA-C 109.992 -1.243 . . . . 0.0 109.992 179.523 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 65' ' ' ASP . . . . . 0.446 ' OD2' ' OD2' ' B' ' 63' ' ' ASP . 96.7 m-20 -71.08 -22.36 62.12 Favored 'General case' 0 N--CA 1.494 1.768 0 O-C-N 121.378 -1.072 . . . . 0.0 110.683 -179.535 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 90.81 -7.91 80.55 Favored Glycine 0 N--CA 1.498 2.771 0 N-CA-C 109.489 -1.444 . . . . 0.0 109.489 -179.669 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 87.1 tt0 -137.61 141.79 41.26 Favored 'General case' 0 N--CA 1.494 1.761 0 O-C-N 121.492 -1.005 . . . . 0.0 108.755 179.752 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 68' ' ' CYS . . . . . 0.418 ' SG ' ' O ' ' B' ' 27' ' ' LEU . 5.0 p -97.96 119.19 36.16 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.263 -0.898 . . . . 0.0 110.621 -178.581 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 69' ' ' ASP . . . . . 0.412 ' OD1' ' C ' ' B' ' 69' ' ' ASP . 39.8 p-10 -93.52 177.72 5.93 Favored 'General case' 0 N--CA 1.5 2.025 0 O-C-N 121.042 -1.036 . . . . 0.0 109.732 179.8 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 62.4 t80 -60.18 -41.22 92.42 Favored 'General case' 0 C--N 1.304 -1.383 0 O-C-N 121.513 -0.742 . . . . 0.0 110.1 -179.594 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 7.3 tt0 -60.24 -44.62 95.08 Favored 'General case' 0 N--CA 1.494 1.766 0 O-C-N 120.878 -1.139 . . . . 0.0 109.918 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -69.99 -29.9 67.1 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.16 -0.963 . . . . 0.0 109.704 179.707 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 73' ' ' PHE . . . . . . . . . . . . . 73.3 t80 -60.01 -44.12 94.78 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 120.98 -1.075 . . . . 0.0 109.13 179.617 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 74' ' ' MET . . . . . . . . . . . . . 8.5 mmt -60.63 -40.1 90.68 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.19 -0.944 . . . . 0.0 109.276 178.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -60.78 -40.65 93.38 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.196 -0.94 . . . . 0.0 109.655 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 66.2 t80 -59.99 -43.19 95.32 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 121.284 -0.885 . . . . 0.0 110.792 -179.659 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 77' ' ' VAL . . . . . . . . . . . . . 55.1 t -62.87 -47.22 93.89 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.461 0 O-C-N 120.849 -1.157 . . . . 0.0 108.687 -179.854 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 78' ' ' SER . . . . . . . . . . . . . 58.3 m -61.94 -41.64 98.19 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.239 -0.913 . . . . 0.0 110.692 -179.558 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 79' ' ' MET . . . . . . . . . . . . . 23.7 mmm -62.36 -39.98 94.92 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.102 -0.999 . . . . 0.0 109.95 -179.416 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 55.3 t -68.69 -42.47 83.13 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.71 0 O-C-N 120.861 -1.149 . . . . 0.0 110.59 -179.645 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 16.6 p -64.2 -42.53 96.6 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 120.693 -1.254 . . . . 0.0 109.808 -179.583 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 74.3 p -67.28 -40.35 86.14 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.324 -0.86 . . . . 0.0 109.986 -179.583 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -68.27 -40.84 81.74 Favored 'General case' 0 C--N 1.302 -1.494 0 O-C-N 121.334 -0.854 . . . . 0.0 109.605 -179.4 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 84' ' ' CYS . . . . . . . . . . . . . 9.5 t -72.59 142.62 48.4 Favored 'General case' 0 C--N 1.304 -1.407 0 N-CA-C 108.465 -0.939 . . . . 0.0 108.465 179.642 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 85' ' ' HIS . . . . . . . . . . . . . 49.9 m170 -77.17 141.94 39.88 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.201 -0.937 . . . . 0.0 109.912 -178.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 42.1 mt-10 -70.82 -153.65 0.02 OUTLIER 'General case' 0 N--CA 1.487 1.387 0 N-CA-C 108.892 -0.781 . . . . 0.0 108.892 179.348 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 87' ' ' PHE . . . . . . . . . . . . . 35.4 t80 54.77 91.55 0.03 OUTLIER 'General case' 0 N--CA 1.486 1.367 0 O-C-N 121.461 -0.775 . . . . 0.0 109.657 179.74 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 88' ' ' PHE . . . . . 0.546 ' CG ' ' N ' ' B' ' 89' ' ' GLU . 49.6 t80 -153.34 -167.15 2.62 Favored 'General case' 0 N--CA 1.493 1.724 0 N-CA-C 108.298 -1.001 . . . . 0.0 108.298 179.197 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 89' ' ' GLU . . . . . 0.546 ' N ' ' CG ' ' B' ' 88' ' ' PHE . 25.2 mp0 48.73 -140.12 0.71 Allowed 'General case' 0 N--CA 1.494 1.757 0 O-C-N 120.715 -1.241 . . . . 0.0 108.892 -178.743 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 90' ' ' HIS . . . . . . . . . . . . . 41.8 m80 -70.06 150.22 46.83 Favored 'General case' 0 C--N 1.302 -1.472 0 O-C-N 121.31 -0.869 . . . . 0.0 109.38 179.158 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 16.0 pt-20 . . . . . 0 N--CA 1.494 1.748 0 O-C-N 121.075 -1.016 . . . . 0.0 109.926 -179.625 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 92' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 93' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 0' ' ' MET . . . . . 0.578 ' N ' ' SD ' ' A' ' 0' ' ' MET . 0.0 OUTLIER . . . . . 0 N--CA 1.49 1.566 0 N-CA-C 109.013 -0.736 . . . . 0.0 109.013 . . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 6.2 m 52.56 72.23 0.42 Allowed 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.06 -1.025 . . . . 0.0 109.697 179.796 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 75.1 mm-40 -59.9 -37.24 78.85 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.309 -0.869 . . . . 0.0 109.71 179.894 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 69.4 mt -59.97 -40.23 88.39 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.405 -0.81 . . . . 0.0 110.161 -178.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 -66.37 -40.16 89.56 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 120.88 -1.138 . . . . 0.0 110.076 -179.492 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . 0.527 ' NZ ' ' O ' ' A' ' 0' ' ' MET . 63.2 mttp -68.25 -38.49 81.84 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.115 -0.991 . . . . 0.0 109.667 179.289 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -59.99 -44.91 94.22 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.292 -0.88 . . . . 0.0 110.195 -178.938 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -59.99 -46.28 89.98 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 120.999 -1.063 . . . . 0.0 109.236 -179.95 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 96.5 t -67.16 -38.66 81.54 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.613 0 O-C-N 121.331 -0.856 . . . . 0.0 109.646 -179.833 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -57.08 -48.56 78.29 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.203 -0.936 . . . . 0.0 110.499 -178.669 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 9.6 mp -60.12 -45.99 91.13 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 120.868 -1.145 . . . . 0.0 109.649 -179.509 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 44.1 mm -67.19 -42.88 88.57 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.705 0 O-C-N 120.694 -1.254 . . . . 0.0 109.891 -179.903 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 7.6 t0 -60.04 -49.58 77.09 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.438 -0.789 . . . . 0.0 110.579 -179.109 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 84.1 t -69.29 -40.84 80.71 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.703 0 O-C-N 120.908 -1.12 . . . . 0.0 110.32 -179.03 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . 0.606 ' CE1' ' CE2' ' A' ' 70' ' ' PHE . 25.6 t80 -59.96 -45.37 92.87 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 121.197 -0.939 . . . . 0.0 109.79 -179.15 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 11.5 t-160 -65.16 -41.3 94.81 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.346 -0.846 . . . . 0.0 111.533 -179.128 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 5.1 tm0? -64.79 -52.91 54.33 Favored 'General case' 0 N--CA 1.495 1.814 0 O-C-N 120.937 -1.102 . . . . 0.0 110.982 -178.189 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 54.6 m-85 -70.12 -40.05 75.09 Favored 'General case' 0 N--CA 1.496 1.844 0 O-C-N 120.893 -1.129 . . . . 0.0 110.377 -179.791 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' SER . . . . . 0.525 ' C ' ' H ' ' A' ' 20' ' ' ARG . 78.9 p -67.85 -34.4 76.62 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.158 -0.964 . . . . 0.0 110.408 -179.562 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -69.63 17.82 0.64 Allowed Glycine 0 N--CA 1.493 2.493 0 N-CA-C 110.19 -1.164 . . . . 0.0 110.19 -179.501 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . 0.525 ' H ' ' C ' ' A' ' 18' ' ' SER . 11.7 tpp180 -60.11 -39.93 87.92 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.003 -1.292 . . . . 0.0 109.771 -179.53 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . 0.533 ' C ' ' H ' ' A' ' 23' ' ' ASP . 68.2 tt0 -146.29 56.86 1.18 Allowed 'General case' 0 N--CA 1.498 1.943 0 O-C-N 120.812 -1.18 . . . . 0.0 110.124 -179.518 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 61.86 -4.13 0.56 Allowed Glycine 0 N--CA 1.493 2.473 0 N-CA-C 110.046 -1.222 . . . . 0.0 110.046 179.367 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . 0.533 ' H ' ' C ' ' A' ' 21' ' ' GLU . 94.6 m-20 -83.98 63.12 7.41 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.016 -1.285 . . . . 0.0 109.227 -179.736 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 45.8 mtmt -69.93 -38.61 76.25 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.386 -0.822 . . . . 0.0 110.407 -179.617 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 40.7 t-80 -90.08 1.63 56.14 Favored 'General case' 0 N--CA 1.498 1.967 0 O-C-N 121.029 -1.044 . . . . 0.0 111.625 -178.001 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 86.7 mttt -136.84 145.0 43.92 Favored 'General case' 0 N--CA 1.503 2.196 0 O-C-N 120.765 -1.21 . . . . 0.0 111.149 -179.057 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 18.2 mt -120.19 141.79 49.58 Favored 'General case' 0 N--CA 1.497 1.904 0 N-CA-C 108.644 -0.873 . . . . 0.0 108.644 179.179 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.466 ' NZ ' ' OD2' ' A' ' 23' ' ' ASP . 37.9 mttp -98.6 165.89 11.6 Favored 'General case' 0 N--CA 1.499 2.023 0 O-C-N 121.185 -0.947 . . . . 0.0 109.963 179.946 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 13.6 pttm -60.11 -39.79 87.42 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.494 -0.754 . . . . 0.0 109.475 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 22.8 t -61.62 -40.0 93.28 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 121.255 -0.903 . . . . 0.0 109.573 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 42.1 mt-10 -60.69 -40.07 90.85 Favored 'General case' 0 N--CA 1.488 1.436 0 O-C-N 121.182 -0.949 . . . . 0.0 109.81 -179.93 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 90.2 mt -64.6 -39.98 94.7 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.059 -1.026 . . . . 0.0 109.961 -179.308 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 2.4 tmmt? -60.13 -49.82 76.11 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 120.695 -1.253 . . . . 0.0 110.295 -179.106 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 99.3 mt-10 -69.46 -39.36 77.79 Favored 'General case' 0 C--N 1.301 -1.518 0 O-C-N 121.12 -0.988 . . . . 0.0 109.673 -179.922 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.401 ' O ' ' CD ' ' A' ' 39' ' ' GLU . 59.1 tp -60.2 -48.79 80.25 Favored 'General case' 0 N--CA 1.494 1.762 0 O-C-N 121.411 -0.806 . . . . 0.0 111.446 -178.233 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.45 ' O ' ' OE1' ' A' ' 39' ' ' GLU . 1.3 mp -60.08 -40.97 84.86 Favored 'Isoleucine or valine' 0 N--CA 1.504 2.229 0 O-C-N 120.722 -1.236 . . . . 0.0 109.891 -178.406 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 67.0 m-80 -60.37 -38.55 84.25 Favored 'General case' 0 C--N 1.299 -1.624 0 O-C-N 120.624 -1.298 . . . . 0.0 109.847 -179.674 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 21.0 m120 -60.21 -40.87 91.64 Favored 'General case' 0 N--CA 1.495 1.794 0 O-C-N 121.21 -0.931 . . . . 0.0 112.684 -177.837 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . 0.499 ' OE1' ' N ' ' A' ' 39' ' ' GLU . 0.0 OUTLIER -108.38 -73.26 0.69 Allowed 'General case' 0 N--CA 1.513 2.679 0 O-C-N 120.785 -1.197 . . . . 0.0 110.545 -178.576 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.479 ' N ' ' OE1' ' A' ' 39' ' ' GLU . 3.0 mp -84.79 81.82 8.71 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.048 -1.033 . . . . 0.0 110.115 -178.479 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' SER . . . . . 0.43 ' OG ' ' N ' ' A' ' 42' ' ' HIS . 1.4 p -102.51 -52.82 3.02 Favored 'General case' 0 N--CA 1.496 1.852 0 N-CA-C 108.78 -0.822 . . . . 0.0 108.78 179.094 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' HIS . . . . . 0.43 ' N ' ' OG ' ' A' ' 41' ' ' SER . 94.0 m-70 -70.01 -36.3 75.0 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.655 -0.653 . . . . 0.0 110.256 -179.808 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 63.3 m-85 -59.9 -39.96 87.16 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 121.176 -0.952 . . . . 0.0 109.995 -179.195 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.47 ' N ' ' CD1' ' A' ' 44' ' ' LEU . 7.7 mp -100.06 14.04 32.03 Favored 'General case' 0 N--CA 1.499 1.995 0 O-C-N 121.263 -0.898 . . . . 0.0 109.294 -179.584 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . 0.444 ' O ' ' O ' ' A' ' 46' ' ' GLU . 64.6 mm-40 57.06 39.99 28.83 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.631 -0.668 . . . . 0.0 110.221 -179.699 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . 0.444 ' O ' ' O ' ' A' ' 45' ' ' GLU . 95.7 mt-10 46.34 96.34 0.01 OUTLIER 'General case' 0 N--CA 1.494 1.75 0 O-C-N 121.361 -0.837 . . . . 0.0 110.423 178.794 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 91.4 mt -60.4 120.26 5.89 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.636 0 O-C-N 120.956 -1.09 . . . . 0.0 108.804 179.336 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -101.82 -4.43 26.34 Favored 'General case' 0 N--CA 1.499 1.988 0 O-C-N 121.316 -0.865 . . . . 0.0 110.576 -179.279 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 13.6 mm-40 -111.81 131.66 55.19 Favored 'General case' 0 N--CA 1.508 2.458 0 O-C-N 121.09 -1.006 . . . . 0.0 109.356 179.409 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 4.1 mp0 -69.97 -37.09 75.67 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.398 -0.814 . . . . 0.0 109.842 179.802 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 13.4 pt-20 -59.54 -33.62 71.63 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.163 -0.961 . . . . 0.0 110.226 -179.195 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 54.4 t -60.1 -40.8 84.41 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.555 0 O-C-N 120.827 -1.171 . . . . 0.0 108.709 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 54.5 t -61.62 -41.84 91.88 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.498 0 O-C-N 121.171 -0.955 . . . . 0.0 109.174 179.221 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 7.0 t0 -63.28 -41.74 99.03 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.253 -0.904 . . . . 0.0 110.093 -179.89 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -59.9 -48.71 80.58 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.059 -1.026 . . . . 0.0 109.003 -179.832 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 54.5 t -66.07 -41.47 89.63 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.437 0 O-C-N 121.206 -0.934 . . . . 0.0 109.415 179.6 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 28.2 ttt -61.48 -40.03 93.06 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.412 -0.805 . . . . 0.0 109.43 179.776 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 13.8 tm-20 -60.15 -39.96 88.2 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.437 -0.789 . . . . 0.0 110.023 -179.626 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 94.9 m -60.17 -44.46 95.0 Favored 'General case' 0 N--CA 1.496 1.859 0 O-C-N 121.168 -0.957 . . . . 0.0 110.737 -179.186 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.473 ' CD2' ' N ' ' A' ' 60' ' ' LEU . 3.1 mm? -69.14 -40.1 78.46 Favored 'General case' 0 N--CA 1.495 1.807 0 O-C-N 121.024 -1.048 . . . . 0.0 109.929 -179.231 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 91.0 m-20 -80.99 58.03 3.3 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.245 -0.909 . . . . 0.0 109.364 179.885 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 85.4 tt0 -60.09 -32.32 70.85 Favored 'General case' 0 C--N 1.304 -1.374 0 N-CA-C 108.352 -0.981 . . . . 0.0 108.352 179.432 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . 0.425 ' OD2' ' OD2' ' A' ' 65' ' ' ASP . 29.0 p30 -77.26 -11.03 59.78 Favored 'General case' 0 N--CA 1.487 1.424 0 O-C-N 121.43 -0.794 . . . . 0.0 109.336 179.73 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 68.47 29.59 73.02 Favored Glycine 0 N--CA 1.493 2.469 0 N-CA-C 110.405 -1.078 . . . . 0.0 110.405 179.142 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . 0.425 ' OD2' ' OD2' ' A' ' 63' ' ' ASP . 98.2 m-20 -62.78 -37.25 85.93 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 120.982 -1.305 . . . . 0.0 109.429 179.503 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 95.46 -8.11 68.94 Favored Glycine 0 N--CA 1.496 2.651 0 N-CA-C 109.84 -1.304 . . . . 0.0 109.84 179.874 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 64.7 mm-40 -134.79 147.78 50.05 Favored 'General case' 0 N--CA 1.499 2.006 0 O-C-N 121.311 -1.111 . . . . 0.0 109.315 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 2.1 m -99.45 118.5 36.19 Favored 'General case' 0 N--CA 1.5 2.063 0 O-C-N 121.296 -0.877 . . . . 0.0 109.93 -179.591 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 2.3 p-10 -90.53 179.49 5.83 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.38 -0.825 . . . . 0.0 109.998 179.553 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' PHE . . . . . 0.606 ' CE2' ' CE1' ' A' ' 14' ' ' PHE . 0.3 OUTLIER -59.96 -45.19 93.48 Favored 'General case' 0 N--CA 1.494 1.763 0 O-C-N 121.46 -0.775 . . . . 0.0 110.065 -179.615 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 70.3 tp60 -59.85 -47.28 86.36 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 120.954 -1.091 . . . . 0.0 109.063 -179.279 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 86.0 mt-10 -61.88 -39.83 93.3 Favored 'General case' 0 N--CA 1.487 1.381 0 O-C-N 121.084 -1.01 . . . . 0.0 109.313 179.296 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 51.2 t80 -60.09 -49.99 75.49 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.117 -0.99 . . . . 0.0 109.278 179.652 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 55.9 tpp -60.64 -39.84 89.79 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 121.349 -0.844 . . . . 0.0 109.497 179.567 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -59.07 -39.87 83.44 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.447 -0.783 . . . . 0.0 109.777 -179.17 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 65.5 t80 -59.87 -46.72 88.42 Favored 'General case' 0 C--N 1.301 -1.51 0 O-C-N 121.155 -0.966 . . . . 0.0 108.869 179.798 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 53.6 t -63.92 -40.34 88.68 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.477 0 O-C-N 121.342 -0.849 . . . . 0.0 108.99 179.449 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 40.5 t -62.07 -43.87 97.9 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.434 -0.791 . . . . 0.0 110.606 -179.601 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 28.4 ttt -60.46 -41.1 93.43 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.084 -1.01 . . . . 0.0 110.404 -179.008 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . 0.483 ' O ' ' SG ' ' A' ' 84' ' ' CYS . 74.3 t -65.88 -39.98 86.22 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.496 0 O-C-N 121.227 -0.921 . . . . 0.0 109.173 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 83.4 m -60.01 -47.46 85.73 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.349 -0.844 . . . . 0.0 109.881 -179.429 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 40.0 p -67.27 -40.05 86.11 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 120.883 -1.136 . . . . 0.0 109.749 -179.644 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . 0.42 ' O ' ' O ' ' A' ' 84' ' ' CYS . . . -61.96 -39.97 93.95 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.301 -0.875 . . . . 0.0 110.104 -179.823 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' CYS . . . . . 0.483 ' SG ' ' O ' ' A' ' 80' ' ' VAL . 71.0 m -39.93 159.88 0.01 OUTLIER 'General case' 0 N--CA 1.498 1.955 0 O-C-N 121.504 -0.748 . . . . 0.0 110.564 -179.267 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 92.0 m-70 -94.24 96.56 9.66 Favored 'General case' 0 N--CA 1.494 1.773 0 O-C-N 121.393 -0.817 . . . . 0.0 109.867 -179.297 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 43.73 -154.91 0.02 OUTLIER 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.565 -0.709 . . . . 0.0 109.722 179.3 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 52.2 p90 -87.45 132.36 34.02 Favored 'General case' 0 N--CA 1.494 1.759 0 O-C-N 121.096 -1.003 . . . . 0.0 109.359 179.881 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 5.7 m-85 -52.12 139.91 22.17 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 120.996 -1.065 . . . . 0.0 108.33 179.757 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 47.9 mt-10 -67.93 119.24 12.27 Favored 'General case' 0 C--N 1.302 -1.478 0 O-C-N 121.248 -0.908 . . . . 0.0 109.586 -179.209 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 46.0 t60 -169.18 159.67 9.16 Favored 'General case' 0 N--CA 1.487 1.408 0 N-CA-C 108.711 -0.848 . . . . 0.0 108.711 179.856 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 18.6 pt-20 . . . . . 0 N--CA 1.49 1.566 0 CA-C-O 117.927 -1.035 . . . . 0.0 109.351 179.598 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' B' B ' 0' ' ' MET . . . . . 0.571 ' N ' ' SD ' ' B' ' 0' ' ' MET . 0.0 OUTLIER . . . . . 0 N--CA 1.491 1.6 0 N-CA-C 108.965 -0.754 . . . . 0.0 108.965 . . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 10.7 m 52.71 72.09 0.44 Allowed 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.056 -1.028 . . . . 0.0 109.604 179.729 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 74.9 mm-40 -60.07 -37.31 79.5 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.399 -0.813 . . . . 0.0 109.626 -179.94 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 65.7 mt -60.04 -40.27 88.81 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.225 -0.922 . . . . 0.0 110.216 -179.037 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 -66.07 -40.17 90.65 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 120.905 -1.122 . . . . 0.0 109.921 -179.559 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 5' ' ' LYS . . . . . 0.527 ' NZ ' ' O ' ' B' ' 0' ' ' MET . 63.2 mttp -68.4 -38.7 81.55 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.106 -0.997 . . . . 0.0 109.79 179.174 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -59.96 -44.91 94.14 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.16 -0.962 . . . . 0.0 110.102 -178.945 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 7' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -60.08 -45.75 91.88 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 120.979 -1.076 . . . . 0.0 109.227 -179.883 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 92.9 t -67.73 -38.55 80.49 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.643 0 O-C-N 121.261 -0.899 . . . . 0.0 109.656 -179.921 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -56.45 -49.04 75.77 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.265 -0.897 . . . . 0.0 110.544 -178.823 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 9.6 mp -60.14 -46.03 91.04 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 120.887 -1.133 . . . . 0.0 109.74 -179.356 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 44.5 mm -67.16 -42.7 88.44 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.726 0 O-C-N 120.702 -1.249 . . . . 0.0 109.777 -179.937 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 7.6 t0 -60.09 -49.75 76.43 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.25 -0.906 . . . . 0.0 110.586 -179.149 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 93.8 t -69.28 -40.91 80.81 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.748 0 O-C-N 120.956 -1.09 . . . . 0.0 110.26 -178.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 14' ' ' PHE . . . . . 0.618 ' CE1' ' CE2' ' B' ' 70' ' ' PHE . 25.9 t80 -60.01 -45.2 93.55 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 121.196 -0.94 . . . . 0.0 109.749 -179.089 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 11.5 t-160 -65.26 -41.48 94.23 Favored 'General case' 0 N--CA 1.494 1.76 0 O-C-N 121.247 -0.908 . . . . 0.0 111.521 -179.177 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 4.8 tm0? -64.59 -52.93 55.0 Favored 'General case' 0 N--CA 1.494 1.772 0 O-C-N 120.883 -1.136 . . . . 0.0 111.006 -178.184 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 56.0 m-85 -69.92 -40.14 75.74 Favored 'General case' 0 N--CA 1.496 1.841 0 O-C-N 120.81 -1.181 . . . . 0.0 110.337 -179.857 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 18' ' ' SER . . . . . 0.537 ' C ' ' H ' ' B' ' 20' ' ' ARG . 80.4 p -67.93 -34.56 76.84 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.192 -0.943 . . . . 0.0 110.366 -179.249 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -69.48 17.91 0.6 Allowed Glycine 0 N--CA 1.494 2.52 0 N-CA-C 110.217 -1.153 . . . . 0.0 110.217 -179.486 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 20' ' ' ARG . . . . . 0.537 ' H ' ' C ' ' B' ' 18' ' ' SER . 11.7 tpp180 -60.17 -39.78 87.65 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 120.972 -1.311 . . . . 0.0 109.797 -179.584 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 21' ' ' GLU . . . . . 0.527 ' C ' ' H ' ' B' ' 23' ' ' ASP . 66.7 tt0 -146.22 57.0 1.19 Allowed 'General case' 0 N--CA 1.498 1.952 0 O-C-N 120.946 -1.096 . . . . 0.0 110.178 -179.531 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . 61.6 -4.08 0.5 Allowed Glycine 0 N--CA 1.493 2.499 0 C-N-CA 119.765 -1.207 . . . . 0.0 110.142 179.491 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 23' ' ' ASP . . . . . 0.527 ' H ' ' C ' ' B' ' 21' ' ' GLU . 96.4 m-20 -84.05 63.37 7.58 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.051 -1.264 . . . . 0.0 109.269 -179.869 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 47.8 mtmt -69.95 -38.45 76.15 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.462 -0.774 . . . . 0.0 110.364 -179.744 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 25' ' ' HIS . . . . . . . . . . . . . 39.5 t-80 -90.07 1.61 56.16 Favored 'General case' 0 N--CA 1.497 1.904 0 O-C-N 121.025 -1.047 . . . . 0.0 111.71 -178.0 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 85.6 mttt -136.92 144.96 43.74 Favored 'General case' 0 N--CA 1.503 2.212 0 O-C-N 120.835 -1.166 . . . . 0.0 111.193 -178.865 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 19.8 mt -120.14 141.47 49.82 Favored 'General case' 0 N--CA 1.498 1.953 0 N-CA-C 108.635 -0.876 . . . . 0.0 108.635 179.348 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 28' ' ' LYS . . . . . 0.479 ' NZ ' ' OD2' ' B' ' 23' ' ' ASP . 37.3 mttp -98.55 165.95 11.58 Favored 'General case' 0 N--CA 1.498 1.961 0 O-C-N 121.149 -0.97 . . . . 0.0 109.862 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 13.0 pttm -60.01 -39.98 87.67 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.399 -0.813 . . . . 0.0 109.485 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 22.7 t -61.49 -40.06 93.22 Favored 'General case' 0 C--N 1.302 -1.461 0 O-C-N 121.291 -0.881 . . . . 0.0 109.563 -179.943 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 40.0 mt-10 -60.51 -40.0 89.81 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 121.248 -0.908 . . . . 0.0 109.914 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 92.7 mt -64.76 -40.16 94.82 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.137 -0.977 . . . . 0.0 109.82 -179.558 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 2.4 tmmt? -60.06 -49.7 76.62 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 120.657 -1.277 . . . . 0.0 110.34 -179.131 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 99.7 mt-10 -69.76 -38.77 76.89 Favored 'General case' 0 C--N 1.299 -1.601 0 O-C-N 121.153 -0.967 . . . . 0.0 109.581 -179.877 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 62.3 tp -60.08 -49.41 77.78 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.486 -0.759 . . . . 0.0 111.436 -178.23 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 36' ' ' ILE . . . . . 0.458 ' O ' ' OE1' ' B' ' 39' ' ' GLU . 1.5 mp -60.11 -40.48 83.5 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.099 0 O-C-N 120.669 -1.269 . . . . 0.0 110.12 -178.239 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 67.2 m-80 -60.61 -38.33 84.35 Favored 'General case' 0 C--N 1.296 -1.74 0 O-C-N 120.505 -1.372 . . . . 0.0 109.918 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 20.7 m120 -60.29 -41.42 93.34 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.328 -0.857 . . . . 0.0 112.618 -177.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 39' ' ' GLU . . . . . 0.514 ' N ' ' OE1' ' B' ' 39' ' ' GLU . 0.0 OUTLIER -107.59 -73.4 0.69 Allowed 'General case' 0 N--CA 1.514 2.746 0 O-C-N 120.806 -1.184 . . . . 0.0 110.524 -178.546 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' B' B ' 40' ' ' LEU . . . . . 0.455 ' N ' ' OE1' ' B' ' 39' ' ' GLU . 3.0 mp -85.01 81.72 8.77 Favored 'General case' 0 N--CA 1.494 1.751 0 O-C-N 121.161 -0.962 . . . . 0.0 110.186 -178.464 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 41' ' ' SER . . . . . 0.44 ' OG ' ' N ' ' B' ' 42' ' ' HIS . 1.7 p -102.07 -52.48 3.15 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.276 -0.89 . . . . 0.0 108.695 178.881 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 42' ' ' HIS . . . . . 0.44 ' N ' ' OG ' ' B' ' 41' ' ' SER . 94.3 m-70 -70.04 -36.35 74.97 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.693 -0.63 . . . . 0.0 110.319 -179.737 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 64.2 m-85 -59.79 -40.25 87.66 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.059 -1.026 . . . . 0.0 109.972 -179.202 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 44' ' ' LEU . . . . . 0.472 ' CD1' ' N ' ' B' ' 44' ' ' LEU . 7.8 mp -99.98 14.2 31.37 Favored 'General case' 0 N--CA 1.499 2.01 0 O-C-N 121.279 -0.888 . . . . 0.0 109.318 -179.431 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 45' ' ' GLU . . . . . 0.434 ' O ' ' O ' ' B' ' 46' ' ' GLU . 64.6 mm-40 57.09 39.75 28.9 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.707 -0.62 . . . . 0.0 110.346 -179.786 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 46' ' ' GLU . . . . . 0.434 ' O ' ' O ' ' B' ' 45' ' ' GLU . 95.9 mt-10 46.75 95.83 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.129 -0.982 . . . . 0.0 110.396 178.862 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 84.3 mt -60.09 120.0 5.19 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.562 0 O-C-N 120.893 -1.129 . . . . 0.0 108.822 179.28 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -101.46 -4.35 26.99 Favored 'General case' 0 N--CA 1.499 1.997 0 O-C-N 121.356 -0.84 . . . . 0.0 110.617 -179.444 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 13.9 mm-40 -111.77 131.62 55.2 Favored 'General case' 0 N--CA 1.509 2.487 0 O-C-N 121.05 -1.032 . . . . 0.0 109.308 179.492 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 4.3 mp0 -70.13 -36.75 75.01 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 121.367 -0.833 . . . . 0.0 109.911 179.691 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 13.3 pt-20 -59.98 -33.49 72.03 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.181 -0.95 . . . . 0.0 110.269 -179.183 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 54.7 t -60.07 -40.8 84.33 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.551 0 O-C-N 120.859 -1.151 . . . . 0.0 108.77 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 54.1 t -61.75 -41.7 91.57 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.468 0 O-C-N 121.292 -0.88 . . . . 0.0 109.194 179.112 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 7.0 t0 -63.19 -41.93 99.27 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.19 -0.944 . . . . 0.0 110.129 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -60.04 -48.77 80.33 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.107 -0.995 . . . . 0.0 108.937 -179.674 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 54.7 t -65.5 -41.57 91.24 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.559 0 O-C-N 121.219 -0.926 . . . . 0.0 109.287 179.41 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 57' ' ' MET . . . . . . . . . . . . . 28.2 ttt -61.27 -40.24 93.36 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.292 -0.88 . . . . 0.0 109.549 179.83 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 14.0 tm-20 -59.94 -39.97 87.35 Favored 'General case' 0 N--CA 1.488 1.459 0 O-C-N 121.495 -0.753 . . . . 0.0 110.187 -179.735 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 95.3 m -60.23 -45.11 94.36 Favored 'General case' 0 N--CA 1.495 1.815 0 O-C-N 121.135 -0.978 . . . . 0.0 110.73 -179.287 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 60' ' ' LEU . . . . . 0.467 ' CD2' ' N ' ' B' ' 60' ' ' LEU . 3.6 mm? -68.52 -40.01 80.95 Favored 'General case' 0 N--CA 1.496 1.85 0 O-C-N 120.982 -1.074 . . . . 0.0 110.028 -179.279 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 91.0 m-20 -80.98 57.43 3.09 Favored 'General case' 0 N--CA 1.488 1.462 0 O-C-N 121.185 -0.947 . . . . 0.0 109.428 179.899 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 87.4 tt0 -60.18 -31.59 70.27 Favored 'General case' 0 C--N 1.303 -1.418 0 N-CA-C 108.293 -1.003 . . . . 0.0 108.293 179.649 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 63' ' ' ASP . . . . . 0.429 ' OD2' ' OD2' ' B' ' 65' ' ' ASP . 29.4 p30 -77.73 -11.18 59.85 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.348 -0.845 . . . . 0.0 109.29 179.482 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 68.68 29.47 72.77 Favored Glycine 0 N--CA 1.493 2.472 0 N-CA-C 110.505 -1.038 . . . . 0.0 110.505 179.061 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 65' ' ' ASP . . . . . 0.429 ' OD2' ' OD2' ' B' ' 63' ' ' ASP . 98.2 m-20 -63.01 -37.1 85.83 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.047 -1.266 . . . . 0.0 109.204 179.749 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 95.38 -7.9 69.05 Favored Glycine 0 N--CA 1.496 2.678 0 N-CA-C 109.866 -1.294 . . . . 0.0 109.866 179.871 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 64.8 mm-40 -134.9 147.56 49.86 Favored 'General case' 0 N--CA 1.498 1.967 0 O-C-N 121.316 -1.108 . . . . 0.0 109.381 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 68' ' ' CYS . . . . . . . . . . . . . 2.0 m -99.35 118.36 35.83 Favored 'General case' 0 N--CA 1.499 2.002 0 O-C-N 121.367 -0.833 . . . . 0.0 109.942 -179.554 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 2.4 p-10 -90.34 179.53 5.86 Favored 'General case' 0 N--CA 1.494 1.74 0 O-C-N 121.457 -0.777 . . . . 0.0 109.966 179.665 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 70' ' ' PHE . . . . . 0.618 ' CE2' ' CE1' ' B' ' 14' ' ' PHE . 0.2 OUTLIER -60.01 -45.19 93.55 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.425 -0.797 . . . . 0.0 110.077 -179.65 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 70.9 tp60 -60.02 -47.3 86.39 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 120.9 -1.125 . . . . 0.0 109.036 -179.248 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 85.2 mt-10 -61.68 -39.93 93.18 Favored 'General case' 0 N--CA 1.488 1.437 0 O-C-N 121.018 -1.051 . . . . 0.0 109.378 179.294 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 73' ' ' PHE . . . . . . . . . . . . . 53.3 t80 -60.04 -50.03 75.34 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 120.999 -1.063 . . . . 0.0 109.397 179.463 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 74' ' ' MET . . . . . . . . . . . . . 54.8 tpp -60.33 -40.13 89.52 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.32 -0.862 . . . . 0.0 109.462 179.392 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -59.51 -39.29 83.37 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.281 -0.887 . . . . 0.0 109.74 -178.871 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 64.6 t80 -60.0 -46.41 89.56 Favored 'General case' 0 C--N 1.302 -1.486 0 O-C-N 121.112 -0.992 . . . . 0.0 108.826 179.738 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 77' ' ' VAL . . . . . . . . . . . . . 54.2 t -63.9 -40.68 89.93 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.506 0 O-C-N 121.316 -0.865 . . . . 0.0 109.033 179.306 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 78' ' ' SER . . . . . . . . . . . . . 33.7 t -61.64 -44.34 97.16 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.321 -0.862 . . . . 0.0 110.522 -179.686 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 79' ' ' MET . . . . . . . . . . . . . 28.4 ttt -60.09 -41.21 91.99 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.22 -0.925 . . . . 0.0 110.521 -178.922 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 80' ' ' VAL . . . . . 0.465 ' O ' ' SG ' ' B' ' 84' ' ' CYS . 61.6 t -66.08 -39.93 85.8 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.571 0 O-C-N 121.307 -0.871 . . . . 0.0 109.138 -179.893 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 63.3 m -59.84 -46.84 88.02 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.383 -0.823 . . . . 0.0 110.153 -179.508 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 41.0 p -68.04 -39.95 82.97 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 120.88 -1.137 . . . . 0.0 109.672 -179.735 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 83' ' ' ALA . . . . . 0.409 ' O ' ' C ' ' B' ' 84' ' ' CYS . . . -61.66 -40.04 93.52 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.243 -0.911 . . . . 0.0 110.098 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 84' ' ' CYS . . . . . 0.465 ' SG ' ' O ' ' B' ' 80' ' ' VAL . 74.7 m -39.99 159.76 0.01 OUTLIER 'General case' 0 N--CA 1.498 1.961 0 O-C-N 121.588 -0.695 . . . . 0.0 110.502 -179.15 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 85' ' ' HIS . . . . . . . . . . . . . 91.8 m-70 -94.28 96.81 9.81 Favored 'General case' 0 N--CA 1.494 1.758 0 O-C-N 121.325 -0.859 . . . . 0.0 109.742 -179.348 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 43.66 -154.77 0.02 OUTLIER 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.516 -0.74 . . . . 0.0 109.843 179.335 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 87' ' ' PHE . . . . . . . . . . . . . 51.4 p90 -87.42 132.36 34.01 Favored 'General case' 0 N--CA 1.494 1.761 0 O-C-N 121.005 -1.059 . . . . 0.0 109.369 179.758 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 5.8 m-85 -52.12 139.97 22.02 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 120.979 -1.075 . . . . 0.0 108.368 179.699 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 46.9 mt-10 -67.73 118.56 11.15 Favored 'General case' 0 C--N 1.302 -1.457 0 O-C-N 121.315 -0.865 . . . . 0.0 109.716 -179.43 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 90' ' ' HIS . . . . . . . . . . . . . 43.7 t60 -168.8 159.94 10.04 Favored 'General case' 0 N--CA 1.488 1.449 0 N-CA-C 108.873 -0.788 . . . . 0.0 108.873 179.877 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 18.3 pt-20 . . . . . 0 N--CA 1.489 1.493 0 CA-C-O 117.901 -1.047 . . . . 0.0 109.269 179.673 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 92' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 93' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' B' B ' 92' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' B' B ' 93' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 63.1 mtm . . . . . 0 N--CA 1.492 1.646 0 N-CA-C 109.143 -0.688 . . . . 0.0 109.143 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 75.6 p -121.21 19.55 11.47 Favored 'General case' 0 N--CA 1.503 2.197 0 O-C-N 121.409 -0.807 . . . . 0.0 110.041 -179.699 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 79.0 mm-40 -61.54 -40.0 93.09 Favored 'General case' 0 C--N 1.299 -1.61 0 O-C-N 121.025 -1.047 . . . . 0.0 110.696 -179.097 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -54.3 -54.14 44.26 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 120.941 -1.099 . . . . 0.0 109.611 -178.369 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 23.0 pt-20 -64.67 -31.51 72.76 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 120.793 -1.192 . . . . 0.0 110.933 -179.495 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 22.9 tptm -60.6 -40.34 91.43 Favored 'General case' 0 N--CA 1.495 1.793 0 O-C-N 120.525 -1.359 . . . . 0.0 108.986 179.657 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -59.8 -39.88 86.47 Favored 'General case' 0 C--N 1.301 -1.533 0 O-C-N 121.528 -0.733 . . . . 0.0 109.466 -179.683 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 48.3 ttm -60.4 -41.98 94.98 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.107 -0.996 . . . . 0.0 109.46 -179.597 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 53.0 t -67.02 -40.84 86.4 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.659 0 O-C-N 121.261 -0.899 . . . . 0.0 110.15 -179.453 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.38 -45.08 95.86 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 120.992 -1.067 . . . . 0.0 110.545 -178.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 33.9 tp -59.98 -48.74 80.47 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.0 -1.062 . . . . 0.0 108.969 -179.284 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 90.5 mt -68.59 -43.63 83.34 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.528 0 O-C-N 121.299 -0.876 . . . . 0.0 109.835 -179.8 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . 0.522 ' O ' ' NE2' ' A' ' 16' ' ' GLN . 7.5 t70 -60.5 -49.2 78.49 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.403 -0.811 . . . . 0.0 110.95 -179.289 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 55.1 t -68.22 -42.38 84.62 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.549 0 O-C-N 121.222 -0.924 . . . . 0.0 109.812 -179.284 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 16.6 t80 -60.2 -49.76 76.35 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.378 -0.826 . . . . 0.0 111.522 -179.002 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 61.4 m80 -70.61 -41.29 72.46 Favored 'General case' 0 C--N 1.3 -1.568 0 O-C-N 120.972 -1.08 . . . . 0.0 111.298 -178.546 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . 0.524 ' N ' ' OE1' ' A' ' 16' ' ' GLN . 0.8 OUTLIER -64.15 -42.01 96.94 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.004 -1.06 . . . . 0.0 110.304 -179.226 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -73.31 -38.94 65.67 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 121.323 -0.861 . . . . 0.0 109.572 -179.776 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' SER . . . . . 0.558 ' C ' ' H ' ' A' ' 20' ' ' ARG . 91.6 p -60.98 -19.99 61.85 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 121.134 -0.979 . . . . 0.0 110.835 -179.056 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -68.44 26.98 0.27 Allowed Glycine 0 N--CA 1.492 2.431 0 N-CA-C 110.353 -1.099 . . . . 0.0 110.353 -179.702 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . 0.558 ' H ' ' C ' ' A' ' 18' ' ' SER . 14.3 mmm180 -60.26 -41.45 93.27 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 120.849 -1.383 . . . . 0.0 110.061 179.901 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . 0.584 ' O ' ' N ' ' A' ' 23' ' ' ASP . 10.6 tp10 -157.85 103.47 1.89 Allowed 'General case' 0 N--CA 1.494 1.743 0 O-C-N 121.142 -0.974 . . . . 0.0 110.678 -179.025 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 57.94 -63.51 0.01 OUTLIER Glycine 0 N--CA 1.5 2.914 0 C-N-CA 120.96 -0.638 . . . . 0.0 111.591 178.455 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . 0.584 ' N ' ' O ' ' A' ' 21' ' ' GLU . 24.4 p-10 -61.84 129.23 39.97 Favored 'General case' 0 C--N 1.302 -1.463 0 O-C-N 120.83 -1.394 . . . . 0.0 109.802 -178.796 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 19.2 pttp -119.09 -7.75 10.29 Favored 'General case' 0 N--CA 1.496 1.851 0 O-C-N 121.719 -0.613 . . . . 0.0 110.059 -179.837 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 41.8 p-80 -136.34 17.39 3.17 Favored 'General case' 0 N--CA 1.502 2.139 0 O-C-N 121.15 -0.969 . . . . 0.0 111.127 -178.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 19.3 ttmm -141.01 145.26 35.69 Favored 'General case' 0 N--CA 1.5 2.026 0 O-C-N 120.815 -1.178 . . . . 0.0 109.613 -179.8 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.564 ' CD2' ' N ' ' A' ' 27' ' ' LEU . 1.2 mm? -108.57 135.88 49.09 Favored 'General case' 0 N--CA 1.498 1.93 0 N-CA-C 108.574 -0.898 . . . . 0.0 108.574 179.277 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.444 ' HZ3' ' HB2' ' A' ' 28' ' ' LYS . 8.6 mtmp? -98.59 -178.96 4.16 Favored 'General case' 0 N--CA 1.496 1.832 0 O-C-N 121.485 -0.759 . . . . 0.0 109.105 179.144 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 46.9 mttp -61.32 -55.35 32.73 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.199 -0.938 . . . . 0.0 110.485 -178.733 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 58.8 m -66.58 -40.23 88.85 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.4 -0.813 . . . . 0.0 110.579 -179.022 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -60.92 -40.14 92.08 Favored 'General case' 0 N--CA 1.495 1.803 0 O-C-N 121.31 -0.869 . . . . 0.0 110.989 -178.467 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 1.6 tt -60.88 -41.72 96.57 Favored 'General case' 0 C--N 1.302 -1.457 0 O-C-N 120.995 -1.066 . . . . 0.0 109.705 -178.547 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.09 -44.44 94.79 Favored 'General case' 0 N--CA 1.495 1.795 0 O-C-N 120.568 -1.333 . . . . 0.0 110.087 -179.939 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 54.6 tp10 -61.0 -39.76 90.94 Favored 'General case' 0 N--CA 1.494 1.746 0 O-C-N 121.479 -0.763 . . . . 0.0 110.314 -179.258 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 3.2 tt -61.23 -48.48 81.29 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.155 -0.965 . . . . 0.0 110.091 -178.728 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.473 ' O ' ' O ' ' A' ' 40' ' ' LEU . 96.8 mt -61.49 -43.13 96.31 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.68 0 O-C-N 121.235 -0.916 . . . . 0.0 111.133 -178.88 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 14.5 t-20 -62.48 -39.54 93.77 Favored 'General case' 0 N--CA 1.495 1.814 0 O-C-N 120.5 -1.375 . . . . 0.0 111.113 -178.825 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 31.9 m120 -72.44 -67.95 0.51 Allowed 'General case' 0 N--CA 1.492 1.673 0 O-C-N 120.671 -1.268 . . . . 0.0 111.886 -177.824 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 41.2 mt-10 -90.1 -79.39 0.34 Allowed 'General case' 0 N--CA 1.502 2.131 0 O-C-N 120.883 -1.136 . . . . 0.0 113.38 -177.06 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.473 ' O ' ' O ' ' A' ' 36' ' ' ILE . 0.4 OUTLIER -64.52 104.17 0.76 Allowed 'General case' 0 N--CA 1.496 1.849 0 O-C-N 120.805 -1.185 . . . . 0.0 110.69 -176.904 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 28.3 t -158.68 -16.56 0.07 Allowed 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.297 -0.877 . . . . 0.0 109.254 179.057 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 10.3 t60 -62.5 -49.69 74.37 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.395 -0.815 . . . . 0.0 110.377 -179.239 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 81.5 m-85 -70.04 -39.44 75.75 Favored 'General case' 0 N--CA 1.496 1.83 0 O-C-N 121.061 -1.024 . . . . 0.0 110.992 -179.294 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 76.2 mt -103.45 120.29 40.53 Favored 'General case' 0 N--CA 1.498 1.962 0 O-C-N 121.214 -0.929 . . . . 0.0 109.851 -178.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -107.68 -0.38 21.88 Favored 'General case' 0 N--CA 1.496 1.858 0 O-C-N 121.522 -0.736 . . . . 0.0 109.68 179.919 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 -81.25 -142.83 0.04 OUTLIER 'General case' 0 N--CA 1.499 2.002 0 O-C-N 120.928 -1.108 . . . . 0.0 110.871 -178.877 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 5.6 mt 63.06 78.76 0.07 OUTLIER 'Isoleucine or valine' 0 N--CA 1.5 2.047 0 O-C-N 121.424 -0.797 . . . . 0.0 109.212 -178.312 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 28.0 tptp -108.11 -24.31 11.61 Favored 'General case' 0 N--CA 1.5 2.046 0 O-C-N 121.439 -0.788 . . . . 0.0 110.299 -179.824 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 79.5 mm-40 -129.99 155.98 45.2 Favored 'General case' 0 N--CA 1.5 2.067 0 O-C-N 121.337 -0.852 . . . . 0.0 109.842 -179.409 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . 0.467 ' CD ' ' H ' ' A' ' 50' ' ' GLN . 8.5 mp0 -63.09 -31.0 72.04 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.549 -0.719 . . . . 0.0 109.194 179.898 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 13.5 mp0 -59.88 -39.42 85.25 Favored 'General case' 0 N--CA 1.494 1.746 0 O-C-N 121.157 -0.965 . . . . 0.0 109.04 179.895 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 56.0 t -59.72 -41.09 84.23 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.707 0 O-C-N 121.073 -1.017 . . . . 0.0 109.518 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 54.2 t -60.36 -40.22 83.32 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.832 0 O-C-N 121.073 -1.017 . . . . 0.0 109.313 179.633 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 9.5 t70 -59.74 -43.33 94.27 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.417 -0.802 . . . . 0.0 109.356 -178.571 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 25.1 ttpp -61.46 -40.0 92.91 Favored 'General case' 0 C--N 1.3 -1.576 0 O-C-N 121.043 -1.036 . . . . 0.0 108.36 179.258 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 53.0 t -69.88 -40.54 78.96 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.351 0 O-C-N 121.21 -0.931 . . . . 0.0 109.641 -179.918 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 12.6 tpt -60.37 -40.67 91.63 Favored 'General case' 0 N--CA 1.496 1.847 0 O-C-N 121.043 -1.035 . . . . 0.0 110.656 -179.584 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 48.2 mt-10 -61.94 -41.57 98.11 Favored 'General case' 0 N--CA 1.495 1.812 0 O-C-N 120.883 -1.135 . . . . 0.0 109.778 -179.288 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 85.3 m -70.04 -41.77 73.78 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.192 -0.942 . . . . 0.0 109.752 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.404 ' O ' ' N ' ' A' ' 62' ' ' GLU . 55.8 tp -66.87 -41.27 87.58 Favored 'General case' 0 N--CA 1.495 1.819 0 O-C-N 121.069 -1.019 . . . . 0.0 110.036 -179.354 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 37.7 t70 -71.13 62.44 0.31 Allowed 'General case' 0 N--CA 1.49 1.551 0 O-C-N 120.914 -1.116 . . . . 0.0 109.975 -179.246 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . 0.404 ' N ' ' O ' ' A' ' 60' ' ' LEU . 78.9 tt0 -69.78 -35.72 75.12 Favored 'General case' 0 N--CA 1.489 1.487 0 N-CA-C 108.864 -0.791 . . . . 0.0 108.864 178.556 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 74.9 m-20 -59.55 -26.53 65.44 Favored 'General case' 0 C--N 1.305 -1.341 0 O-C-N 121.485 -0.76 . . . . 0.0 109.591 -179.293 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 80.07 17.9 73.39 Favored Glycine 0 N--CA 1.49 2.266 0 N-CA-C 109.087 -1.605 . . . . 0.0 109.087 -179.752 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 45.2 p-10 -93.43 -12.98 28.55 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.332 -1.099 . . . . 0.0 109.38 -179.86 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 76.34 6.56 83.9 Favored Glycine 0 N--CA 1.49 2.247 0 C-N-CA 120.047 -1.073 . . . . 0.0 110.577 178.758 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 74.3 mm-40 -139.01 149.84 45.14 Favored 'General case' 0 N--CA 1.496 1.851 0 O-C-N 121.223 -1.163 . . . . 0.0 109.051 -179.86 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 43.3 t -95.64 117.79 31.12 Favored 'General case' 0 N--CA 1.5 2.053 0 O-C-N 121.052 -1.03 . . . . 0.0 109.01 179.205 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 98.1 m-20 -89.95 170.66 10.18 Favored 'General case' 0 N--CA 1.498 1.946 0 O-C-N 121.512 -0.743 . . . . 0.0 109.627 -179.437 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 70.1 t80 -59.68 -49.05 79.26 Favored 'General case' 0 N--CA 1.494 1.745 0 O-C-N 120.961 -1.087 . . . . 0.0 109.561 -179.824 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 14.8 pt20 -60.2 -40.01 88.57 Favored 'General case' 0 C--N 1.304 -1.38 0 O-C-N 121.087 -1.008 . . . . 0.0 109.124 179.636 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -66.4 -39.51 89.07 Favored 'General case' 0 N--CA 1.489 1.522 0 N-CA-C 109.223 -0.658 . . . . 0.0 109.223 179.055 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 68.7 t80 -60.45 -39.63 88.24 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.179 -0.951 . . . . 0.0 109.505 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 25.0 tpp -59.92 -40.13 87.83 Favored 'General case' 0 N--CA 1.493 1.723 0 N-CA-C 108.007 -1.109 . . . . 0.0 108.007 179.559 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -60.0 -38.29 82.18 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.448 -0.783 . . . . 0.0 110.009 179.826 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 72.8 t80 -59.6 -45.49 91.77 Favored 'General case' 0 N--CA 1.494 1.746 0 O-C-N 121.051 -1.031 . . . . 0.0 109.548 -179.48 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 55.9 t -60.1 -42.13 88.89 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.551 0 O-C-N 121.16 -0.963 . . . . 0.0 108.767 179.469 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 85.5 p -69.05 -36.7 77.98 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.317 -0.864 . . . . 0.0 109.688 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 51.8 ttm -59.73 -40.64 88.71 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 120.971 -1.081 . . . . 0.0 110.15 -179.232 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 57.0 t -66.79 -39.94 84.78 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.476 0 C-N-CA 119.044 -1.062 . . . . 0.0 109.289 -179.697 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 92.4 m -69.64 -41.89 74.99 Favored 'General case' 0 C--N 1.301 -1.519 0 O-C-N 121.285 -0.884 . . . . 0.0 110.153 -179.257 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 27.4 p -62.27 -39.48 93.08 Favored 'General case' 0 N--CA 1.495 1.798 0 O-C-N 121.192 -0.943 . . . . 0.0 110.384 -179.672 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -59.92 -42.46 93.98 Favored 'General case' 0 C--N 1.299 -1.604 0 O-C-N 121.075 -1.015 . . . . 0.0 108.637 -179.406 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 71.2 m -80.99 137.23 36.08 Favored 'General case' 0 N--CA 1.494 1.748 0 O-C-N 121.136 -0.978 . . . . 0.0 109.183 178.391 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' HIS . . . . . 0.486 ' H ' ' HD1' ' A' ' 85' ' ' HIS . 23.0 p-80 -71.06 168.89 16.14 Favored 'General case' 0 N--CA 1.493 1.68 0 N-CA-C 108.041 -1.096 . . . . 0.0 108.041 179.34 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 81.8 tt0 -52.27 122.08 8.05 Favored 'General case' 0 N--CA 1.488 1.429 0 O-C-N 120.767 -1.208 . . . . 0.0 108.603 -179.616 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 67.2 t80 -152.76 106.95 3.12 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.197 -0.939 . . . . 0.0 110.16 -178.872 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . 0.588 ' O ' ' CG ' ' A' ' 88' ' ' PHE . 8.3 p90 -153.02 88.49 1.32 Allowed 'General case' 0 N--CA 1.491 1.578 0 CA-C-O 121.76 0.791 . . . . 0.0 109.247 179.85 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 50.7 mt-10 -93.2 117.78 30.47 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 120.895 -1.128 . . . . 0.0 109.55 -179.579 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' HIS . . . . . 0.432 ' ND1' ' O ' ' A' ' 91' ' ' GLU . 58.9 t-80 -144.17 131.36 20.67 Favored 'General case' 0 N--CA 1.493 1.702 0 N-CA-C 108.864 -0.791 . . . . 0.0 108.864 179.559 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . 0.432 ' O ' ' ND1' ' A' ' 90' ' ' HIS . 99.6 mt-10 . . . . . 0 N--CA 1.493 1.678 0 CA-C-O 118.107 -0.949 . . . . 0.0 109.773 -179.611 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 0' ' ' MET . . . . . . . . . . . . . 62.6 mtm . . . . . 0 N--CA 1.489 1.48 0 N-CA-C 109.078 -0.712 . . . . 0.0 109.078 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 68.2 p -122.38 19.82 10.51 Favored 'General case' 0 N--CA 1.498 1.968 0 O-C-N 121.498 -0.751 . . . . 0.0 109.956 -179.539 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 77.3 mm-40 -61.11 -39.98 92.03 Favored 'General case' 0 C--N 1.3 -1.573 0 O-C-N 121.301 -0.874 . . . . 0.0 110.685 -179.487 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -54.62 -55.04 33.66 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.02 -1.05 . . . . 0.0 109.677 -178.463 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 23.4 pt-20 -63.8 -32.17 73.59 Favored 'General case' 0 C--N 1.299 -1.596 0 O-C-N 120.686 -1.259 . . . . 0.0 110.716 -179.543 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 23.2 tptm -60.46 -40.17 90.23 Favored 'General case' 0 N--CA 1.498 1.947 0 O-C-N 120.627 -1.296 . . . . 0.0 109.052 -179.884 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -59.83 -40.04 87.13 Favored 'General case' 0 C--N 1.301 -1.537 0 O-C-N 121.277 -0.889 . . . . 0.0 109.496 -179.837 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 7' ' ' MET . . . . . . . . . . . . . 49.4 ttm -60.02 -41.04 91.32 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.11 -0.993 . . . . 0.0 109.463 -179.894 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 55.1 t -68.08 -40.15 82.59 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.618 0 O-C-N 121.158 -0.964 . . . . 0.0 110.221 -179.497 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -62.36 -44.58 96.14 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.041 -1.037 . . . . 0.0 110.433 -179.298 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 28.2 tp -59.86 -48.55 81.26 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 120.904 -1.123 . . . . 0.0 109.126 -179.368 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 96.3 mt -69.09 -42.75 81.99 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.646 0 O-C-N 121.046 -1.034 . . . . 0.0 110.063 -179.653 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 12' ' ' ASP . . . . . 0.511 ' O ' ' NE2' ' B' ' 16' ' ' GLN . 7.4 t70 -60.99 -49.82 75.88 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.483 -0.761 . . . . 0.0 111.089 -179.229 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 55.8 t -67.82 -42.11 85.66 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.511 0 O-C-N 121.359 -0.838 . . . . 0.0 109.738 -179.561 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 14' ' ' PHE . . . . . . . . . . . . . 14.6 t80 -60.39 -49.68 76.62 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.496 -0.753 . . . . 0.0 111.151 -178.828 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 57.1 m80 -70.78 -41.37 71.76 Favored 'General case' 0 C--N 1.297 -1.677 0 O-C-N 120.991 -1.068 . . . . 0.0 111.165 -178.524 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 16' ' ' GLN . . . . . 0.521 ' OE1' ' N ' ' B' ' 16' ' ' GLN . 0.9 OUTLIER -63.97 -43.0 97.08 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.087 -1.008 . . . . 0.0 110.131 -179.257 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -72.48 -38.29 68.23 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.032 -1.042 . . . . 0.0 109.781 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 18' ' ' SER . . . . . 0.565 ' C ' ' H ' ' B' ' 20' ' ' ARG . 86.8 p -61.29 -20.13 62.54 Favored 'General case' 0 N--CA 1.496 1.866 0 O-C-N 121.156 -0.965 . . . . 0.0 110.834 -178.827 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -68.58 27.53 0.28 Allowed Glycine 0 N--CA 1.493 2.48 0 O-C-N 120.868 -1.145 . . . . 0.0 110.336 -179.699 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 20' ' ' ARG . . . . . 0.565 ' H ' ' C ' ' B' ' 18' ' ' SER . 14.8 mmm180 -60.08 -41.1 91.73 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 120.984 -1.303 . . . . 0.0 109.831 179.8 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 21' ' ' GLU . . . . . 0.57 ' O ' ' N ' ' B' ' 23' ' ' ASP . 12.3 tp10 -158.71 103.6 1.73 Allowed 'General case' 0 N--CA 1.493 1.683 0 O-C-N 120.921 -1.112 . . . . 0.0 110.531 -178.912 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . 59.32 -66.78 0.01 OUTLIER Glycine 0 N--CA 1.497 2.712 0 O-C-N 121.346 -0.846 . . . . 0.0 111.457 178.438 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 23' ' ' ASP . . . . . 0.57 ' N ' ' O ' ' B' ' 21' ' ' GLU . 26.1 p-10 -59.65 129.76 43.48 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 120.919 -1.342 . . . . 0.0 109.914 -178.67 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 24' ' ' LYS . . . . . 0.438 ' C ' ' HG ' ' B' ' 18' ' ' SER . 19.3 pttp -119.17 -7.83 10.24 Favored 'General case' 0 N--CA 1.496 1.826 0 O-C-N 121.773 -0.579 . . . . 0.0 109.985 179.703 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 25' ' ' HIS . . . . . . . . . . . . . 41.4 p-80 -136.09 17.77 3.22 Favored 'General case' 0 N--CA 1.499 2.017 0 O-C-N 121.016 -1.053 . . . . 0.0 111.138 -178.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 18.4 ttmm -141.66 144.59 34.21 Favored 'General case' 0 N--CA 1.498 1.95 0 O-C-N 120.931 -1.106 . . . . 0.0 110.107 -179.633 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 27' ' ' LEU . . . . . 0.57 ' N ' ' CD2' ' B' ' 27' ' ' LEU . 1.4 mm? -107.57 135.46 48.99 Favored 'General case' 0 N--CA 1.498 1.971 0 O-C-N 121.411 -0.805 . . . . 0.0 109.068 179.249 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 8.8 mtmp? -98.82 -179.33 4.25 Favored 'General case' 0 N--CA 1.497 1.878 0 N-CA-C 108.943 -0.762 . . . . 0.0 108.943 178.849 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 48.2 mttp -60.88 -54.76 41.1 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.074 -1.017 . . . . 0.0 110.542 -178.865 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 69.7 m -67.06 -40.19 87.04 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 121.344 -0.848 . . . . 0.0 110.515 -179.024 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -60.96 -40.49 93.55 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.343 -0.848 . . . . 0.0 110.788 -178.393 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 1.5 tt -60.55 -41.81 95.3 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 120.866 -1.146 . . . . 0.0 110.002 -178.412 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.4 -43.89 96.24 Favored 'General case' 0 N--CA 1.497 1.897 0 O-C-N 120.688 -1.257 . . . . 0.0 110.094 -179.872 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 54.6 tp10 -61.21 -40.26 93.31 Favored 'General case' 0 N--CA 1.494 1.761 0 O-C-N 121.355 -0.841 . . . . 0.0 109.923 -179.384 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 2.8 tt -60.44 -48.48 81.56 Favored 'General case' 0 N--CA 1.495 1.782 0 O-C-N 121.238 -0.913 . . . . 0.0 110.354 -179.099 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 36' ' ' ILE . . . . . 0.446 ' O ' ' O ' ' B' ' 40' ' ' LEU . 97.6 mt -62.08 -42.08 93.62 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.576 0 O-C-N 121.148 -0.97 . . . . 0.0 111.108 -178.681 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 13.5 t-20 -63.51 -39.71 95.15 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 120.781 -1.199 . . . . 0.0 110.778 -178.469 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 32.8 m120 -71.51 -67.69 0.5 Allowed 'General case' 0 N--CA 1.492 1.636 0 O-C-N 120.95 -1.094 . . . . 0.0 112.194 -177.95 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -91.26 -79.82 0.36 Allowed 'General case' 0 N--CA 1.502 2.138 0 O-C-N 120.699 -1.251 . . . . 0.0 113.388 -176.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 40' ' ' LEU . . . . . 0.446 ' O ' ' O ' ' B' ' 36' ' ' ILE . 0.4 OUTLIER -62.84 103.23 0.42 Allowed 'General case' 0 N--CA 1.496 1.84 0 O-C-N 120.986 -1.072 . . . . 0.0 110.755 -177.193 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 24.6 t -158.69 -15.61 0.07 Allowed 'General case' 0 C--N 1.299 -1.591 0 C-N-CA 119.935 -0.706 . . . . 0.0 109.343 178.836 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 42' ' ' HIS . . . . . . . . . . . . . 10.8 t60 -62.59 -49.94 73.23 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.178 -0.951 . . . . 0.0 110.264 -179.32 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 82.2 m-85 -70.29 -39.19 75.02 Favored 'General case' 0 N--CA 1.495 1.795 0 O-C-N 121.369 -0.832 . . . . 0.0 111.047 -178.899 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 85.1 mt -103.11 120.62 41.02 Favored 'General case' 0 N--CA 1.496 1.873 0 O-C-N 121.074 -1.016 . . . . 0.0 109.593 -178.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -109.11 2.93 21.44 Favored 'General case' 0 N--CA 1.497 1.895 0 O-C-N 121.423 -0.798 . . . . 0.0 109.673 179.74 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 -84.45 -142.63 0.08 Allowed 'General case' 0 N--CA 1.496 1.843 0 O-C-N 120.891 -1.131 . . . . 0.0 110.498 -178.825 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 5.1 mt 63.39 79.83 0.07 OUTLIER 'Isoleucine or valine' 0 N--CA 1.497 1.892 0 O-C-N 121.395 -0.816 . . . . 0.0 109.039 -178.351 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 27.4 tptp -109.12 -24.07 11.34 Favored 'General case' 0 N--CA 1.501 2.119 0 O-C-N 121.557 -0.714 . . . . 0.0 110.145 -179.468 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 79.3 mm-40 -130.15 156.02 45.26 Favored 'General case' 0 N--CA 1.498 1.947 0 O-C-N 121.473 -0.767 . . . . 0.0 109.703 -179.305 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 50' ' ' GLN . . . . . 0.482 ' H ' ' CD ' ' B' ' 50' ' ' GLN . 8.1 mp0 -63.35 -30.33 71.48 Favored 'General case' 0 C--N 1.302 -1.465 0 O-C-N 121.443 -0.785 . . . . 0.0 108.883 179.699 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 14.3 mp0 -60.2 -39.07 85.25 Favored 'General case' 0 N--CA 1.495 1.81 0 O-C-N 121.104 -0.997 . . . . 0.0 109.251 179.714 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 54.5 t -60.29 -40.89 85.14 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.581 0 O-C-N 121.217 -0.927 . . . . 0.0 109.35 -179.835 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 53.0 t -61.0 -39.95 83.94 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.766 0 O-C-N 121.165 -0.959 . . . . 0.0 109.385 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 8.7 t70 -59.57 -41.75 90.93 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.287 -0.883 . . . . 0.0 109.356 -178.525 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 24.2 ttpp -62.73 -39.9 95.54 Favored 'General case' 0 N--CA 1.488 1.464 0 O-C-N 121.083 -1.011 . . . . 0.0 108.364 179.066 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 79.2 t -69.98 -40.83 79.09 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.41 0 O-C-N 121.232 -0.917 . . . . 0.0 109.681 179.854 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 57' ' ' MET . . . . . . . . . . . . . 13.1 tpt -60.46 -40.13 90.1 Favored 'General case' 0 N--CA 1.496 1.83 0 O-C-N 121.131 -0.98 . . . . 0.0 110.654 -179.279 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 48.0 mt-10 -62.33 -40.72 97.29 Favored 'General case' 0 N--CA 1.495 1.816 0 O-C-N 120.795 -1.191 . . . . 0.0 110.205 -179.427 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 89.6 m -71.09 -40.31 71.62 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.529 -0.732 . . . . 0.0 110.017 -179.816 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 58.8 tp -68.69 -39.83 80.33 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.226 -0.921 . . . . 0.0 109.986 -179.706 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 37.4 t70 -72.24 62.64 0.5 Allowed 'General case' 0 N--CA 1.488 1.461 0 O-C-N 121.119 -0.988 . . . . 0.0 109.747 -179.209 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 77.4 tt0 -70.2 -34.99 73.61 Favored 'General case' 0 N--CA 1.49 1.529 0 N-CA-C 108.845 -0.798 . . . . 0.0 108.845 178.809 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 74.7 m-20 -60.14 -27.65 67.25 Favored 'General case' 0 N--CA 1.488 1.449 0 O-C-N 121.301 -0.874 . . . . 0.0 109.505 -179.522 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 81.2 17.22 72.33 Favored Glycine 0 N--CA 1.487 2.1 0 N-CA-C 108.91 -1.676 . . . . 0.0 108.91 -179.603 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 47.0 p-10 -92.3 -12.87 31.32 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.294 -1.121 . . . . 0.0 109.653 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 76.48 7.11 85.18 Favored Glycine 0 N--CA 1.491 2.309 0 C-N-CA 119.844 -1.17 . . . . 0.0 110.488 178.622 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 74.2 mm-40 -139.94 149.46 43.33 Favored 'General case' 0 N--CA 1.498 1.929 0 O-C-N 121.339 -1.095 . . . . 0.0 108.865 -179.886 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 68' ' ' CYS . . . . . . . . . . . . . 48.1 t -95.82 118.23 32.07 Favored 'General case' 0 N--CA 1.499 1.993 0 O-C-N 121.062 -1.023 . . . . 0.0 109.013 179.174 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 98.0 m-20 -89.67 170.79 10.16 Favored 'General case' 0 N--CA 1.496 1.852 0 O-C-N 121.647 -0.658 . . . . 0.0 109.714 -179.431 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 71.3 t80 -59.84 -49.17 78.76 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.104 -0.998 . . . . 0.0 109.515 -179.894 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 14.2 pt20 -60.26 -40.13 89.25 Favored 'General case' 0 C--N 1.302 -1.496 0 O-C-N 121.046 -1.034 . . . . 0.0 108.984 179.665 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 83.4 tt0 -66.13 -40.04 90.33 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.499 -0.751 . . . . 0.0 109.364 179.08 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 73' ' ' PHE . . . . . . . . . . . . . 70.9 t80 -60.06 -39.72 86.98 Favored 'General case' 0 N--CA 1.495 1.806 0 O-C-N 121.312 -0.867 . . . . 0.0 109.482 179.723 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 74' ' ' MET . . . . . . . . . . . . . 29.0 tpp -59.95 -39.71 86.49 Favored 'General case' 0 N--CA 1.495 1.808 0 N-CA-C 107.942 -1.133 . . . . 0.0 107.942 179.508 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -60.66 -37.88 83.02 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.437 -0.789 . . . . 0.0 110.023 179.653 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 73.4 t80 -59.95 -45.02 93.99 Favored 'General case' 0 N--CA 1.495 1.803 0 O-C-N 121.018 -1.051 . . . . 0.0 109.476 -179.476 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 77' ' ' VAL . . . . . . . . . . . . . 55.6 t -60.38 -41.89 88.92 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.537 0 O-C-N 121.153 -0.967 . . . . 0.0 109.022 179.384 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 78' ' ' SER . . . . . . . . . . . . . 83.9 p -69.32 -36.34 76.85 Favored 'General case' 0 C--N 1.303 -1.456 0 O-C-N 121.375 -0.828 . . . . 0.0 109.857 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 79' ' ' MET . . . . . . . . . . . . . 51.4 ttm -59.73 -41.18 90.33 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 120.986 -1.071 . . . . 0.0 110.287 -179.441 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 57.5 t -66.42 -40.31 86.26 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.406 0 O-C-N 121.055 -1.028 . . . . 0.0 109.168 -179.339 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 92.6 m -69.43 -41.4 76.37 Favored 'General case' 0 C--N 1.3 -1.545 0 O-C-N 121.226 -0.921 . . . . 0.0 110.084 -179.494 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 22.8 p -62.86 -38.97 92.96 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.222 -0.924 . . . . 0.0 110.077 -179.428 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -60.06 -42.74 95.17 Favored 'General case' 0 C--N 1.301 -1.542 0 O-C-N 121.04 -1.038 . . . . 0.0 108.483 -179.438 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 84' ' ' CYS . . . . . . . . . . . . . 73.7 m -80.67 137.48 36.32 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.368 -0.832 . . . . 0.0 108.968 178.718 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 85' ' ' HIS . . . . . 0.497 ' H ' ' HD1' ' B' ' 85' ' ' HIS . 19.7 p-80 -71.65 168.9 16.71 Favored 'General case' 0 N--CA 1.494 1.752 0 O-C-N 120.885 -1.134 . . . . 0.0 108.219 179.15 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 79.7 tt0 -52.44 121.82 7.71 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 120.862 -1.149 . . . . 0.0 108.411 -179.681 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 87' ' ' PHE . . . . . . . . . . . . . 68.6 t80 -153.08 106.68 3.04 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.32 -0.863 . . . . 0.0 109.888 -178.836 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 88' ' ' PHE . . . . . 0.581 ' CG ' ' O ' ' B' ' 88' ' ' PHE . 8.1 p90 -152.32 86.09 1.28 Allowed 'General case' 0 N--CA 1.494 1.737 0 O-C-N 121.313 -0.867 . . . . 0.0 109.236 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 49.0 mt-10 -91.16 116.86 29.15 Favored 'General case' 0 N--CA 1.494 1.739 0 O-C-N 120.683 -1.26 . . . . 0.0 109.926 -179.504 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 90' ' ' HIS . . . . . 0.419 ' ND1' ' O ' ' B' ' 91' ' ' GLU . 59.5 t-80 -142.77 130.59 21.59 Favored 'General case' 0 N--CA 1.498 1.927 0 O-C-N 121.454 -0.779 . . . . 0.0 109.138 179.459 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 91' ' ' GLU . . . . . 0.419 ' O ' ' ND1' ' B' ' 90' ' ' HIS . 99.2 mt-10 . . . . . 0 N--CA 1.496 1.851 0 CA-C-O 117.882 -1.056 . . . . 0.0 109.886 -179.474 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 92' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 93' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' B' B ' 92' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' B' B ' 93' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 12.1 ptp . . . . . 0 N--CA 1.491 1.59 0 N-CA-C 109.322 -0.622 . . . . 0.0 109.322 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 20.9 t -163.27 -162.79 0.77 Allowed 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.208 -0.933 . . . . 0.0 109.93 -179.691 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 39.7 tt0 -60.1 -39.93 87.89 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.444 -0.785 . . . . 0.0 109.799 -179.736 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 57.1 mt -59.95 -37.06 78.46 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.168 -0.957 . . . . 0.0 109.618 -179.453 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 83.6 tt0 -59.98 -43.79 94.89 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 120.998 -1.064 . . . . 0.0 109.157 -179.586 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 61.0 mttp -68.43 -39.98 81.34 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 120.946 -1.096 . . . . 0.0 109.108 179.713 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -61.91 -47.42 85.01 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.313 -0.867 . . . . 0.0 109.263 179.821 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 43.9 tpp -60.01 -45.7 91.91 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.292 -0.88 . . . . 0.0 108.939 179.641 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 58.9 t -69.16 -40.9 81.09 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.5 0 O-C-N 121.567 -0.708 . . . . 0.0 109.574 -179.589 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -63.32 -44.47 94.87 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.269 -0.895 . . . . 0.0 110.131 -179.591 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 56.8 tp -60.07 -49.31 78.16 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.232 -0.918 . . . . 0.0 110.161 -179.483 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.407 HD12 HG22 ' A' ' 11' ' ' ILE . 96.9 mt -66.22 -40.0 85.77 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.486 0 O-C-N 121.105 -0.997 . . . . 0.0 110.074 -179.516 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 97.5 m-20 -60.27 -40.03 88.92 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.192 -0.943 . . . . 0.0 110.742 -179.268 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 54.5 t -68.75 -41.87 82.67 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.624 0 O-C-N 120.755 -1.215 . . . . 0.0 109.394 -179.414 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 80.7 t80 -60.04 -49.99 75.48 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.179 -0.95 . . . . 0.0 110.71 -179.774 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 20.4 t60 -65.02 -45.98 83.25 Favored 'General case' 0 N--CA 1.494 1.77 0 O-C-N 121.151 -0.968 . . . . 0.0 110.532 -179.049 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 11.4 tm0? -60.0 -41.38 91.96 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.165 -0.96 . . . . 0.0 110.161 -179.16 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 1.1 t80 -69.89 -40.08 75.87 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.1 -1.0 . . . . 0.0 109.423 -179.703 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 40.6 t -60.35 -39.93 88.92 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 121.309 -0.869 . . . . 0.0 109.584 -179.909 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -76.88 -9.43 86.59 Favored Glycine 0 N--CA 1.489 2.194 0 N-CA-C 110.233 -1.147 . . . . 0.0 110.233 -179.224 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -60.71 -42.64 97.63 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 120.994 -1.298 . . . . 0.0 108.553 179.919 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . 0.468 ' OE1' ' N ' ' A' ' 22' ' ' GLY . 1.6 tm-20 -97.75 164.61 12.32 Favored 'General case' 0 N--CA 1.5 2.054 0 O-C-N 121.135 -0.978 . . . . 0.0 108.789 179.122 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . 0.468 ' N ' ' OE1' ' A' ' 21' ' ' GLU . . . -57.07 -23.89 48.54 Favored Glycine 0 N--CA 1.491 2.312 0 N-CA-C 110.459 -1.056 . . . . 0.0 110.459 -179.662 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 96.3 m-20 -79.98 86.08 5.51 Favored 'General case' 0 N--CA 1.497 1.898 0 O-C-N 120.884 -1.362 . . . . 0.0 110.217 -179.289 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 31.2 mtmm -70.69 -39.97 73.19 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.474 -0.766 . . . . 0.0 111.089 -179.929 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -68.6 -34.29 75.53 Favored 'General case' 0 N--CA 1.498 1.955 0 O-C-N 121.268 -0.895 . . . . 0.0 112.237 -177.193 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 15.9 ptpt -149.34 170.03 19.46 Favored 'General case' 0 N--CA 1.5 2.054 0 O-C-N 120.476 -1.39 . . . . 0.0 111.567 -177.636 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 4.7 mp -110.89 139.98 45.76 Favored 'General case' 0 N--CA 1.496 1.869 0 N-CA-C 109.069 -0.715 . . . . 0.0 109.069 179.805 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.409 ' NZ ' ' OG ' ' A' ' 30' ' ' SER . 11.5 pttp -101.5 -177.86 3.56 Favored 'General case' 0 N--CA 1.502 2.16 0 O-C-N 121.343 -0.848 . . . . 0.0 110.205 -179.761 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 25.3 pttm -60.0 -39.46 85.82 Favored 'General case' 0 N--CA 1.494 1.762 0 O-C-N 121.434 -0.791 . . . . 0.0 110.643 -178.759 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' SER . . . . . 0.46 ' HG ' ' N ' ' A' ' 31' ' ' GLU . 71.4 p -60.0 -43.75 94.98 Favored 'General case' 0 C--N 1.303 -1.44 0 O-C-N 121.093 -1.004 . . . . 0.0 109.658 -178.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . 0.46 ' N ' ' HG ' ' A' ' 30' ' ' SER . 75.8 mt-10 -66.69 -40.84 88.68 Favored 'General case' 0 N--CA 1.488 1.457 0 O-C-N 121.182 -0.949 . . . . 0.0 109.122 179.864 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 64.9 tp -64.07 -45.19 89.86 Favored 'General case' 0 N--CA 1.488 1.427 0 O-C-N 121.444 -0.785 . . . . 0.0 109.537 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 12.5 ttmm -60.02 -48.49 81.47 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.314 -0.866 . . . . 0.0 109.718 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 81.5 tt0 -62.25 -39.98 94.65 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.462 -0.774 . . . . 0.0 110.24 -179.534 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 1.4 tt -54.1 -42.02 68.94 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.181 -0.95 . . . . 0.0 109.123 -178.574 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.476 ' O ' ' O ' ' A' ' 39' ' ' GLU . 44.1 mm -63.52 -40.87 90.66 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.59 0 O-C-N 120.976 -1.078 . . . . 0.0 109.581 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 41.1 t30 -61.0 -41.15 95.96 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 120.791 -1.193 . . . . 0.0 110.735 -179.588 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 33.0 m120 -78.91 -55.14 5.37 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.054 -1.029 . . . . 0.0 110.355 -179.096 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . 0.476 ' O ' ' O ' ' A' ' 36' ' ' ILE . 19.6 mp0 -109.86 171.51 7.41 Favored 'General case' 0 N--CA 1.503 2.212 0 O-C-N 121.367 -0.833 . . . . 0.0 109.055 179.405 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 43.7 mt 54.13 7.91 0.15 Allowed 'General case' 0 N--CA 1.488 1.455 0 O-C-N 121.599 -0.688 . . . . 0.0 110.027 179.491 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' SER . . . . . 0.467 ' H ' ' C ' ' A' ' 39' ' ' GLU . 78.8 p -64.19 -39.99 95.16 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 120.936 -1.102 . . . . 0.0 109.534 179.762 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' HIS . . . . . 0.453 ' N ' ' HG ' ' A' ' 41' ' ' SER . 76.6 m80 -69.98 -39.95 75.65 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.06 -1.025 . . . . 0.0 109.148 179.339 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 80.9 m-85 -69.08 -39.12 79.26 Favored 'General case' 0 C--N 1.302 -1.467 0 N-CA-C 108.819 -0.808 . . . . 0.0 108.819 -179.758 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.43 ' O ' ' O ' ' A' ' 41' ' ' SER . 10.3 mp -115.68 118.77 34.0 Favored 'General case' 0 N--CA 1.501 2.081 0 N-CA-C 108.514 -0.921 . . . . 0.0 108.514 179.363 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 20.8 pt-20 -133.95 30.44 3.68 Favored 'General case' 0 N--CA 1.501 2.08 0 O-C-N 121.144 -0.973 . . . . 0.0 110.48 -179.632 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 62.0 tt0 -137.0 44.0 2.34 Favored 'General case' 0 N--CA 1.499 1.978 0 O-C-N 121.163 -0.961 . . . . 0.0 109.165 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 7.2 mm -109.68 124.72 66.63 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.034 0 O-C-N 121.526 -0.734 . . . . 0.0 109.434 -179.888 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 30.4 ttmt -156.24 -35.56 0.08 Allowed 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.273 -0.892 . . . . 0.0 109.412 179.385 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 77.6 mt-10 -99.78 140.0 34.62 Favored 'General case' 0 N--CA 1.496 1.847 0 O-C-N 121.216 -0.927 . . . . 0.0 109.337 -179.804 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . 0.702 ' H ' ' NE2' ' A' ' 50' ' ' GLN . 0.0 OUTLIER -69.73 -21.19 63.49 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.222 -0.924 . . . . 0.0 109.791 -179.748 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 57.4 mm-40 -59.89 -40.14 87.74 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.304 -0.872 . . . . 0.0 109.145 -179.829 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 78.4 t -64.37 -47.44 89.52 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.412 0 O-C-N 121.202 -0.936 . . . . 0.0 108.727 179.19 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 62.1 t -64.46 -47.42 89.4 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.494 0 O-C-N 121.485 -0.759 . . . . 0.0 109.052 179.816 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 7.1 t70 -59.98 -46.88 87.99 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.394 -0.816 . . . . 0.0 110.021 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 86.2 tttt -60.02 -45.67 92.02 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.195 -0.94 . . . . 0.0 109.334 -179.624 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 54.4 t -60.82 -43.9 96.45 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.458 0 O-C-N 121.31 -0.869 . . . . 0.0 109.288 179.302 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 50.5 ttm -60.03 -46.3 89.98 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.309 -0.869 . . . . 0.0 109.447 179.808 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 86.9 tt0 -60.32 -41.57 93.78 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.294 -0.879 . . . . 0.0 109.446 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 99.4 m -68.16 -40.54 82.3 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.346 -0.846 . . . . 0.0 109.562 179.524 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 6.4 tp -75.71 -30.93 59.45 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.349 -0.845 . . . . 0.0 110.125 -179.624 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 97.6 m-20 -58.54 125.51 23.66 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.029 -1.044 . . . . 0.0 109.524 -178.919 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 78.5 mm-40 -96.57 -34.37 11.46 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.353 -0.842 . . . . 0.0 108.757 179.486 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . 0.403 ' OD1' ' N ' ' A' ' 63' ' ' ASP . 34.4 p-10 -104.0 -6.41 21.24 Favored 'General case' 0 N--CA 1.497 1.887 0 O-C-N 121.475 -0.765 . . . . 0.0 110.389 -179.668 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 70.1 37.75 72.92 Favored Glycine 0 N--CA 1.493 2.472 0 C-N-CA 119.757 -1.211 . . . . 0.0 110.604 179.417 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 45.2 p-10 -80.22 -12.46 59.63 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 120.837 -1.39 . . . . 0.0 109.464 179.93 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 75.69 9.56 84.85 Favored Glycine 0 N--CA 1.493 2.497 0 C-N-CA 120.212 -0.995 . . . . 0.0 110.865 178.858 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 49.9 mt-10 -143.69 160.31 40.93 Favored 'General case' 0 N--CA 1.497 1.914 0 O-C-N 120.931 -1.335 . . . . 0.0 109.75 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 14.6 t -89.05 106.5 18.47 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.356 -0.84 . . . . 0.0 108.996 179.701 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 94.8 m-20 -90.89 -176.89 4.8 Favored 'General case' 0 N--CA 1.491 1.607 0 N-CA-C 109.323 -0.621 . . . . 0.0 109.323 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 2.8 t80 -60.0 -41.03 91.21 Favored 'General case' 0 C--N 1.302 -1.487 0 O-C-N 121.212 -0.93 . . . . 0.0 109.245 -179.098 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -69.94 -40.09 75.7 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.104 -0.998 . . . . 0.0 109.96 179.455 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 54.9 mm-40 -59.98 -41.41 91.92 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.088 -1.007 . . . . 0.0 109.403 -179.894 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 62.9 t80 -60.29 -44.54 95.28 Favored 'General case' 0 C--N 1.304 -1.399 0 O-C-N 121.201 -0.937 . . . . 0.0 108.753 179.58 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 11.4 tpt -63.07 -40.08 96.62 Favored 'General case' 0 N--CA 1.488 1.455 0 O-C-N 121.588 -0.695 . . . . 0.0 109.271 179.848 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -61.28 -40.8 95.45 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.37 -0.831 . . . . 0.0 109.949 -179.688 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 62.5 t80 -59.95 -45.99 90.87 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.221 -0.924 . . . . 0.0 109.872 -179.348 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 69.8 t -63.1 -40.02 87.44 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.657 0 O-C-N 121.166 -0.959 . . . . 0.0 109.493 179.929 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 47.0 t -59.95 -40.04 87.6 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.292 -0.88 . . . . 0.0 110.515 -179.173 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 98.4 mmm -59.98 -44.11 94.69 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 120.973 -1.079 . . . . 0.0 109.369 -179.164 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 54.5 t -70.01 -43.51 79.2 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.552 0 O-C-N 121.218 -0.926 . . . . 0.0 109.39 179.488 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' THR . . . . . 0.516 ' O ' ' SG ' ' A' ' 84' ' ' CYS . 94.6 m -60.87 -42.12 97.27 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.535 -0.728 . . . . 0.0 111.234 -179.039 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 64.5 p -69.98 -28.55 65.62 Favored 'General case' 0 C--N 1.299 -1.612 0 O-C-N 120.822 -1.174 . . . . 0.0 109.79 -179.245 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -73.23 -19.55 61.06 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.308 -0.87 . . . . 0.0 110.927 -179.437 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' CYS . . . . . 0.55 ' O ' ' SG ' ' A' ' 84' ' ' CYS . 19.0 p -65.93 105.4 1.31 Allowed 'General case' 0 N--CA 1.493 1.696 0 O-C-N 120.734 -1.229 . . . . 0.0 110.38 -178.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 64.3 m-70 -103.54 57.18 0.74 Allowed 'General case' 0 N--CA 1.497 1.876 0 O-C-N 121.253 -0.905 . . . . 0.0 108.634 179.326 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 77.3 mm-40 58.6 19.95 7.18 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.723 -0.611 . . . . 0.0 109.443 -179.638 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 1.4 m-85 -87.32 -10.82 51.25 Favored 'General case' 0 N--CA 1.496 1.841 0 N-CA-C 108.674 -0.862 . . . . 0.0 108.674 179.336 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 28.7 m-85 -81.03 -9.58 59.82 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.435 -0.79 . . . . 0.0 109.149 179.822 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -60.11 -173.54 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.301 -0.875 . . . . 0.0 109.175 179.402 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 49.4 m80 -59.31 139.04 57.39 Favored 'General case' 0 N--CA 1.488 1.439 0 O-C-N 121.081 -1.012 . . . . 0.0 108.904 -179.696 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.492 1.672 0 CA-C-O 118.009 -0.996 . . . . 0.0 109.533 -179.482 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 0' ' ' MET . . . . . . . . . . . . . 10.5 ptp . . . . . 0 N--CA 1.491 1.58 0 N-CA-C 109.349 -0.612 . . . . 0.0 109.349 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 20.1 t -163.15 -162.86 0.79 Allowed 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.218 -0.926 . . . . 0.0 109.883 -179.817 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 39.7 tt0 -60.03 -39.89 87.45 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.374 -0.828 . . . . 0.0 109.761 -179.781 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 56.6 mt -59.99 -36.98 78.35 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.274 -0.891 . . . . 0.0 109.58 -179.322 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 83.5 tt0 -59.93 -43.94 94.63 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 120.969 -1.082 . . . . 0.0 109.099 -179.564 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 61.1 mttp -68.25 -40.04 82.08 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.026 -1.046 . . . . 0.0 109.204 179.622 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -61.84 -47.7 83.86 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.306 -0.871 . . . . 0.0 109.238 179.766 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 7' ' ' MET . . . . . . . . . . . . . 45.1 tpp -60.09 -45.7 92.06 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.234 -0.916 . . . . 0.0 108.945 179.691 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 60.5 t -69.0 -40.99 81.56 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.484 0 O-C-N 121.541 -0.725 . . . . 0.0 109.593 -179.703 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -63.29 -44.48 94.91 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.273 -0.892 . . . . 0.0 110.165 -179.595 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 56.9 tp -60.02 -49.5 77.41 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.241 -0.912 . . . . 0.0 110.036 -179.504 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 97.4 mt -66.07 -39.91 85.77 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.539 0 O-C-N 121.218 -0.926 . . . . 0.0 110.118 -179.331 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 97.4 m-20 -60.29 -40.15 89.42 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.204 -0.935 . . . . 0.0 110.781 -179.252 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 53.1 t -68.71 -41.99 82.85 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.57 0 O-C-N 120.759 -1.213 . . . . 0.0 109.39 -179.484 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 14' ' ' PHE . . . . . . . . . . . . . 79.9 t80 -60.02 -49.98 75.53 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.198 -0.939 . . . . 0.0 110.675 -179.79 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 20.0 t60 -64.87 -45.95 83.88 Favored 'General case' 0 N--CA 1.494 1.739 0 O-C-N 121.032 -1.042 . . . . 0.0 110.552 -179.127 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 11.5 tm0? -60.08 -41.25 92.04 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.218 -0.926 . . . . 0.0 110.179 -179.092 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 1.1 t80 -70.19 -39.98 74.9 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.206 -0.934 . . . . 0.0 109.373 -179.737 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 41.4 t -60.33 -40.01 89.1 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.197 -0.939 . . . . 0.0 109.589 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -76.57 -9.94 85.96 Favored Glycine 0 N--CA 1.49 2.243 0 N-CA-C 110.141 -1.184 . . . . 0.0 110.141 -179.185 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -60.15 -43.14 95.99 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.091 -1.241 . . . . 0.0 108.685 179.905 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 21' ' ' GLU . . . . . 0.456 ' OE1' ' N ' ' B' ' 22' ' ' GLY . 1.6 tm-20 -97.48 164.75 12.31 Favored 'General case' 0 N--CA 1.499 2.0 0 O-C-N 121.09 -1.007 . . . . 0.0 108.895 179.18 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 22' ' ' GLY . . . . . 0.456 ' N ' ' OE1' ' B' ' 21' ' ' GLU . . . -57.01 -24.16 49.37 Favored Glycine 0 N--CA 1.492 2.383 0 N-CA-C 110.417 -1.073 . . . . 0.0 110.417 -179.745 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 96.1 m-20 -80.13 86.18 5.6 Favored 'General case' 0 N--CA 1.497 1.885 0 O-C-N 120.881 -1.364 . . . . 0.0 110.181 -179.2 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 32.2 mtmm -70.63 -39.91 73.44 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.609 -0.682 . . . . 0.0 111.07 179.92 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 25' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -68.54 -34.28 75.57 Favored 'General case' 0 N--CA 1.496 1.873 0 O-C-N 121.279 -0.888 . . . . 0.0 112.194 -177.197 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 16.2 ptpt -149.39 169.91 19.77 Favored 'General case' 0 N--CA 1.5 2.055 0 O-C-N 120.42 -1.425 . . . . 0.0 111.579 -177.582 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 4.7 mp -110.86 139.86 45.82 Favored 'General case' 0 N--CA 1.495 1.781 0 N-CA-C 109.095 -0.706 . . . . 0.0 109.095 179.93 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 28' ' ' LYS . . . . . 0.414 ' NZ ' ' HG ' ' B' ' 30' ' ' SER . 11.7 pttp -101.56 -177.87 3.56 Favored 'General case' 0 N--CA 1.502 2.125 0 O-C-N 121.283 -0.885 . . . . 0.0 110.246 -179.777 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 25.6 pttm -59.91 -39.34 85.11 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.382 -0.824 . . . . 0.0 110.618 -178.855 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 30' ' ' SER . . . . . 0.414 ' HG ' ' NZ ' ' B' ' 28' ' ' LYS . 82.7 p -59.98 -43.87 94.86 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.012 -1.055 . . . . 0.0 109.656 -179.05 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 77.1 mt-10 -66.72 -40.64 88.48 Favored 'General case' 0 N--CA 1.488 1.451 0 O-C-N 121.155 -0.966 . . . . 0.0 109.161 179.869 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 59.8 tp -64.24 -45.49 87.94 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 121.555 -0.716 . . . . 0.0 109.281 -179.801 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 12.9 ttmm -60.02 -48.36 82.04 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.218 -0.926 . . . . 0.0 109.774 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 82.3 tt0 -62.31 -40.03 94.99 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.378 -0.826 . . . . 0.0 110.206 -179.581 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 1.4 tt -54.05 -41.85 68.59 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.249 -0.907 . . . . 0.0 109.307 -178.68 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 36' ' ' ILE . . . . . 0.477 ' O ' ' O ' ' B' ' 39' ' ' GLU . 37.3 mm -63.92 -40.49 89.25 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.658 0 O-C-N 120.897 -1.127 . . . . 0.0 109.56 179.934 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 41.5 t30 -61.07 -41.02 95.85 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 120.895 -1.128 . . . . 0.0 110.629 -179.572 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 32.7 m120 -79.08 -55.1 5.37 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.039 -1.038 . . . . 0.0 110.278 -179.033 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 39' ' ' GLU . . . . . 0.477 ' O ' ' O ' ' B' ' 36' ' ' ILE . 19.3 mp0 -109.81 171.44 7.44 Favored 'General case' 0 N--CA 1.504 2.244 0 O-C-N 121.382 -0.824 . . . . 0.0 109.061 179.451 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 45.2 mt 54.05 7.88 0.14 Allowed 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.622 -0.674 . . . . 0.0 110.049 179.556 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 41' ' ' SER . . . . . 0.454 ' H ' ' C ' ' B' ' 39' ' ' GLU . 80.9 p -64.02 -40.04 95.45 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 120.956 -1.09 . . . . 0.0 109.472 179.91 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 42' ' ' HIS . . . . . . . . . . . . . 76.8 m80 -69.96 -39.89 75.74 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.115 -0.991 . . . . 0.0 109.296 179.287 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 79.7 m-85 -69.12 -39.25 79.03 Favored 'General case' 0 C--N 1.302 -1.499 0 N-CA-C 108.718 -0.845 . . . . 0.0 108.718 -179.726 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 44' ' ' LEU . . . . . 0.433 ' O ' ' O ' ' B' ' 41' ' ' SER . 10.4 mp -115.48 118.65 33.76 Favored 'General case' 0 N--CA 1.502 2.143 0 N-CA-C 108.504 -0.924 . . . . 0.0 108.504 179.395 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 20.8 pt-20 -133.87 30.39 3.71 Favored 'General case' 0 N--CA 1.501 2.115 0 O-C-N 121.21 -0.931 . . . . 0.0 110.435 -179.628 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 61.3 tt0 -137.06 43.77 2.35 Favored 'General case' 0 N--CA 1.498 1.94 0 O-C-N 121.142 -0.974 . . . . 0.0 109.313 -179.937 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 7.2 mm -109.68 124.56 66.5 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.032 0 O-C-N 121.474 -0.766 . . . . 0.0 109.467 -179.903 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 31.5 ttmt -155.78 -35.46 0.09 Allowed 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.252 -0.905 . . . . 0.0 109.55 179.386 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 80.2 mt-10 -99.84 139.94 34.77 Favored 'General case' 0 N--CA 1.496 1.835 0 O-C-N 121.297 -0.877 . . . . 0.0 109.252 -179.753 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 50' ' ' GLN . . . . . 0.691 ' NE2' ' H ' ' B' ' 50' ' ' GLN . 0.0 OUTLIER -69.72 -21.07 63.51 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.289 -0.882 . . . . 0.0 109.825 -179.708 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 56.7 mm-40 -60.0 -39.98 87.63 Favored 'General case' 0 N--CA 1.488 1.438 0 O-C-N 121.189 -0.944 . . . . 0.0 109.186 -179.884 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 73.2 t -64.55 -47.43 89.14 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.467 0 C-N-CA 119.477 -0.889 . . . . 0.0 108.73 179.189 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 53.3 t -64.43 -47.37 89.69 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.494 0 O-C-N 121.456 -0.777 . . . . 0.0 109.081 179.717 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 7.0 t70 -60.05 -46.63 88.9 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.326 -0.859 . . . . 0.0 110.094 179.893 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 86.2 tttt -60.06 -46.04 90.88 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.047 -1.033 . . . . 0.0 109.223 -179.607 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 55.0 t -60.64 -43.97 95.94 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.47 0 O-C-N 121.363 -0.835 . . . . 0.0 109.269 179.324 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 57' ' ' MET . . . . . . . . . . . . . 53.4 ttm -59.87 -46.24 89.93 Favored 'General case' 0 N--CA 1.488 1.463 0 O-C-N 121.299 -0.875 . . . . 0.0 109.451 179.827 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 86.7 tt0 -60.38 -41.6 94.1 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.155 -0.966 . . . . 0.0 109.406 179.924 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 99.1 m -68.25 -40.24 82.01 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.292 -0.88 . . . . 0.0 109.627 179.63 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 6.1 tp -75.77 -31.09 59.35 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.363 -0.835 . . . . 0.0 110.132 -179.748 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 97.6 m-20 -58.39 125.45 23.37 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.099 -1.001 . . . . 0.0 109.545 -178.91 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 78.6 mm-40 -96.45 -34.4 11.52 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.31 -0.869 . . . . 0.0 108.857 179.408 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 63' ' ' ASP . . . . . 0.41 ' N ' ' OD1' ' B' ' 63' ' ' ASP . 34.5 p-10 -103.94 -6.4 21.32 Favored 'General case' 0 N--CA 1.496 1.854 0 O-C-N 121.551 -0.718 . . . . 0.0 110.37 -179.735 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 69.97 37.9 74.31 Favored Glycine 0 N--CA 1.494 2.51 0 C-N-CA 119.812 -1.185 . . . . 0.0 110.536 179.46 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 44.8 p-10 -80.21 -12.55 59.63 Favored 'General case' 0 N--CA 1.494 1.748 0 O-C-N 120.824 -1.398 . . . . 0.0 109.538 179.816 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 75.83 9.32 85.07 Favored Glycine 0 N--CA 1.492 2.4 0 C-N-CA 120.288 -0.958 . . . . 0.0 110.943 178.891 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 50.0 mt-10 -143.59 160.61 40.34 Favored 'General case' 0 N--CA 1.499 1.984 0 O-C-N 120.924 -1.339 . . . . 0.0 109.818 179.902 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 68' ' ' CYS . . . . . . . . . . . . . 11.5 t -88.91 106.45 18.41 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.299 -0.876 . . . . 0.0 109.033 179.705 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 95.0 m-20 -91.09 -176.81 4.72 Favored 'General case' 0 N--CA 1.493 1.688 0 N-CA-C 109.204 -0.665 . . . . 0.0 109.204 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 2.7 t80 -59.98 -41.25 91.62 Favored 'General case' 0 N--CA 1.488 1.456 0 O-C-N 121.199 -0.938 . . . . 0.0 109.258 -179.033 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -69.77 -40.03 76.32 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.198 -0.939 . . . . 0.0 110.013 179.521 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 54.5 mm-40 -59.99 -41.53 92.27 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.033 -1.042 . . . . 0.0 109.452 -179.933 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 73' ' ' PHE . . . . . . . . . . . . . 62.8 t80 -60.25 -44.44 95.26 Favored 'General case' 0 N--CA 1.488 1.43 0 O-C-N 121.199 -0.938 . . . . 0.0 108.729 179.46 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 74' ' ' MET . . . . . . . . . . . . . 12.6 tpt -63.04 -40.08 96.64 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.569 -0.707 . . . . 0.0 109.275 179.861 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -61.37 -40.84 95.79 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.34 -0.85 . . . . 0.0 110.045 -179.714 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 64.8 t80 -60.06 -45.85 91.52 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.238 -0.914 . . . . 0.0 109.777 -179.299 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 77' ' ' VAL . . . . . . . . . . . . . 71.0 t -63.15 -39.96 87.23 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.667 0 O-C-N 121.111 -0.993 . . . . 0.0 109.571 179.858 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 78' ' ' SER . . . . . . . . . . . . . 44.1 t -59.96 -40.07 87.79 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.337 -0.852 . . . . 0.0 110.384 -179.234 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 79' ' ' MET . . . . . . . . . . . . . 98.7 mmm -59.95 -44.18 94.55 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 120.895 -1.128 . . . . 0.0 109.38 -179.089 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 54.4 t -69.96 -43.48 79.37 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.576 0 O-C-N 121.145 -0.972 . . . . 0.0 109.552 179.272 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 81' ' ' THR . . . . . 0.52 ' O ' ' SG ' ' B' ' 84' ' ' CYS . 94.5 m -60.89 -42.0 97.13 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.532 -0.73 . . . . 0.0 111.233 -178.931 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 49.1 p -69.99 -28.6 65.66 Favored 'General case' 0 C--N 1.3 -1.57 0 O-C-N 120.757 -1.214 . . . . 0.0 109.887 -179.393 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -72.81 -20.04 61.22 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.36 -0.837 . . . . 0.0 110.866 -179.423 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 84' ' ' CYS . . . . . 0.542 ' O ' ' SG ' ' B' ' 84' ' ' CYS . 19.2 p -65.77 105.55 1.3 Allowed 'General case' 0 N--CA 1.494 1.756 0 O-C-N 120.754 -1.216 . . . . 0.0 110.388 -178.804 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 85' ' ' HIS . . . . . . . . . . . . . 64.3 m-70 -103.79 57.26 0.73 Allowed 'General case' 0 N--CA 1.497 1.892 0 O-C-N 121.219 -0.926 . . . . 0.0 108.56 179.305 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 77.9 mm-40 58.54 19.98 7.14 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.675 -0.641 . . . . 0.0 109.377 -179.625 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 87' ' ' PHE . . . . . . . . . . . . . 1.4 m-85 -87.38 -10.89 50.88 Favored 'General case' 0 N--CA 1.494 1.752 0 O-C-N 121.207 -0.933 . . . . 0.0 108.661 179.437 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 29.0 m-85 -81.07 -9.7 59.79 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.326 -0.859 . . . . 0.0 109.216 179.815 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -59.74 -173.31 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.314 -0.866 . . . . 0.0 109.169 179.349 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 90' ' ' HIS . . . . . . . . . . . . . 43.9 m80 -59.98 140.0 57.05 Favored 'General case' 0 N--CA 1.487 1.419 0 O-C-N 120.97 -1.081 . . . . 0.0 109.146 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.491 1.597 0 CA-C-O 117.906 -1.045 . . . . 0.0 109.473 -179.308 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 92' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 93' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' B' B ' 92' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' B' B ' 93' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 0' ' ' MET . . . . . 0.535 ' N ' ' SD ' ' A' ' 0' ' ' MET . 4.6 mpp? . . . . . 0 N--CA 1.488 1.452 0 N-CA-C 109.337 -0.616 . . . . 0.0 109.337 . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 18.9 p -113.98 128.86 56.57 Favored 'General case' 0 N--CA 1.499 2.003 0 O-C-N 121.485 -0.759 . . . . 0.0 109.652 -179.853 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 75.9 mm-40 -63.21 -39.9 95.95 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.552 -0.717 . . . . 0.0 109.644 179.839 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -59.88 -39.92 86.93 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.342 -0.849 . . . . 0.0 109.632 -178.789 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 51.1 tp10 -60.06 -45.15 93.83 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 120.759 -1.213 . . . . 0.0 109.092 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 9.5 mtmp? -67.26 -34.16 76.86 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.149 -0.969 . . . . 0.0 109.071 179.2 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -59.91 -40.12 87.74 Favored 'General case' 0 N--CA 1.487 1.424 0 O-C-N 121.345 -0.847 . . . . 0.0 109.497 -179.413 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 4.0 tpt -60.0 -47.48 85.65 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.04 -1.037 . . . . 0.0 108.728 179.522 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 53.0 t -69.77 -40.1 78.7 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.587 0 O-C-N 121.38 -0.825 . . . . 0.0 108.946 179.679 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.95 -40.06 91.88 Favored 'General case' 0 N--CA 1.488 1.454 0 O-C-N 121.601 -0.687 . . . . 0.0 110.214 -179.763 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 22.1 tp -59.97 -49.95 75.65 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.054 -1.029 . . . . 0.0 110.01 -178.305 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 97.8 mt -70.1 -46.13 73.72 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.808 0 O-C-N 120.855 -1.153 . . . . 0.0 110.632 -179.517 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 59.9 t0 -60.73 -48.36 82.13 Favored 'General case' 0 N--CA 1.494 1.755 0 O-C-N 120.941 -1.1 . . . . 0.0 110.063 -179.156 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 54.7 t -60.48 -39.0 79.83 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.632 0 O-C-N 121.441 -0.787 . . . . 0.0 109.998 -179.889 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 26.3 t80 -59.84 -49.96 75.67 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.156 -0.965 . . . . 0.0 110.463 -178.549 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 50.0 m-70 -74.94 -41.84 58.85 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 120.68 -1.263 . . . . 0.0 111.01 -179.54 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 7.3 tt0 -59.99 -50.67 72.82 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 120.896 -1.127 . . . . 0.0 110.739 -178.633 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 9.9 m-85 -71.12 -42.6 69.03 Favored 'General case' 0 N--CA 1.495 1.794 0 O-C-N 120.995 -1.066 . . . . 0.0 109.794 -179.842 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 19.8 t -69.98 -39.99 75.61 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.393 -0.817 . . . . 0.0 110.616 -179.321 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -70.82 -9.38 65.79 Favored Glycine 0 N--CA 1.491 2.348 0 C-N-CA 120.239 -0.981 . . . . 0.0 111.1 -178.683 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 14.5 ttp180 -60.21 -39.96 88.42 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 120.552 -1.558 . . . . 0.0 109.592 -179.642 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 99.4 mt-10 -132.83 82.96 2.03 Favored 'General case' 0 N--CA 1.499 1.983 0 O-C-N 121.336 -0.852 . . . . 0.0 109.933 -179.587 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 44.68 -163.21 0.07 OUTLIER Glycine 0 N--CA 1.493 2.491 0 N-CA-C 109.995 -1.242 . . . . 0.0 109.995 179.346 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 74.0 m-20 50.08 39.87 20.22 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.285 -1.127 . . . . 0.0 108.714 179.934 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 14.8 ptmt -62.07 -33.78 75.05 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.536 -0.728 . . . . 0.0 111.199 -178.936 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . 0.465 ' CG ' ' O ' ' A' ' 25' ' ' HIS . 44.0 t-80 -99.27 4.83 46.69 Favored 'General case' 0 N--CA 1.499 2.005 0 O-C-N 121.002 -1.062 . . . . 0.0 110.708 -179.067 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 87.1 mttt -141.38 157.39 45.25 Favored 'General case' 0 N--CA 1.502 2.169 0 O-C-N 121.016 -1.052 . . . . 0.0 110.713 -179.028 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 85.0 mt -115.9 115.45 26.23 Favored 'General case' 0 N--CA 1.501 2.115 0 N-CA-C 108.606 -0.887 . . . . 0.0 108.606 178.818 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 54.9 tttp -95.28 169.25 10.22 Favored 'General case' 0 N--CA 1.496 1.859 0 O-C-N 121.127 -0.983 . . . . 0.0 108.947 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 7.8 ptpp? -56.47 -38.98 72.44 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 120.905 -1.122 . . . . 0.0 110.126 -179.05 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 35.1 t -60.73 -46.02 92.04 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 120.842 -1.161 . . . . 0.0 109.933 -179.814 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 8.6 mm-40 -69.64 -39.97 76.8 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.316 -0.865 . . . . 0.0 110.018 -179.443 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 8.5 tt -62.0 -40.09 94.44 Favored 'General case' 0 N--CA 1.494 1.751 0 O-C-N 121.153 -0.967 . . . . 0.0 109.712 -179.686 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 61.9 tttm -59.92 -39.94 87.19 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.354 -0.841 . . . . 0.0 110.323 -179.238 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 3.4 tm-20 -59.95 -40.0 87.53 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 120.933 -1.104 . . . . 0.0 109.372 -178.691 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.428 ' O ' ' N ' ' A' ' 39' ' ' GLU . 87.7 mt -60.26 -38.15 82.64 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.305 -0.872 . . . . 0.0 110.111 179.762 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.444 ' O ' ' O ' ' A' ' 39' ' ' GLU . 47.2 mm -60.01 -50.05 81.63 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.797 0 O-C-N 121.36 -0.838 . . . . 0.0 111.153 -177.925 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . 0.438 ' O ' ' OG ' ' A' ' 41' ' ' SER . 61.5 m-20 -61.71 -40.04 93.63 Favored 'General case' 0 N--CA 1.494 1.772 0 O-C-N 120.508 -1.37 . . . . 0.0 110.023 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 28.6 t-20 -79.88 -41.95 25.17 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.009 -1.057 . . . . 0.0 110.344 179.912 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . 0.444 ' O ' ' O ' ' A' ' 36' ' ' ILE . 87.9 tt0 -122.04 157.09 32.15 Favored 'General case' 0 N--CA 1.502 2.129 0 O-C-N 121.451 -0.78 . . . . 0.0 110.438 -178.653 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 9.1 mt 58.57 20.25 7.44 Favored 'General case' 0 N--CA 1.494 1.74 0 O-C-N 121.713 -0.617 . . . . 0.0 110.278 179.068 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' SER . . . . . 0.438 ' OG ' ' O ' ' A' ' 37' ' ' ASN . 55.1 m -70.39 -41.26 73.25 Favored 'General case' 0 C--N 1.3 -1.572 0 O-C-N 121.001 -1.062 . . . . 0.0 109.907 179.788 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 15.7 t60 -97.21 -43.27 7.43 Favored 'General case' 0 N--CA 1.497 1.903 0 O-C-N 121.264 -0.897 . . . . 0.0 110.889 -178.719 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -59.97 -42.48 94.24 Favored 'General case' 0 N--CA 1.495 1.78 0 O-C-N 120.966 -1.084 . . . . 0.0 110.174 -179.24 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 47.6 tp -95.2 150.67 19.97 Favored 'General case' 0 N--CA 1.498 1.926 0 O-C-N 120.994 -1.066 . . . . 0.0 108.996 -179.596 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . 0.447 ' OE1' ' O ' ' A' ' 46' ' ' GLU . 12.4 tm-20 -54.05 137.98 38.53 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.173 -0.954 . . . . 0.0 109.067 -179.414 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . 0.447 ' O ' ' OE1' ' A' ' 45' ' ' GLU . 51.5 mt-10 -63.66 133.62 53.96 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.251 -0.905 . . . . 0.0 109.997 -179.207 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . 0.418 HG22 HD11 ' A' ' 47' ' ' ILE . 87.2 mt -108.23 124.89 64.87 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.957 0 O-C-N 121.449 -0.782 . . . . 0.0 109.24 179.361 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 32.2 ttmt -107.2 -28.5 9.9 Favored 'General case' 0 N--CA 1.496 1.844 0 O-C-N 121.579 -0.701 . . . . 0.0 109.457 -179.897 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . 0.462 ' N ' ' CD ' ' A' ' 49' ' ' GLU . 1.0 OUTLIER -102.12 135.74 43.17 Favored 'General case' 0 N--CA 1.496 1.858 0 O-C-N 121.38 -0.825 . . . . 0.0 109.909 -179.334 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 94.0 mt-30 -70.07 -19.39 63.28 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.612 -0.68 . . . . 0.0 109.544 179.736 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 88.9 tt0 -59.92 -39.48 85.61 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.456 -0.778 . . . . 0.0 109.666 -179.4 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 73.9 t -60.08 -40.12 82.38 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.489 0 O-C-N 121.128 -0.982 . . . . 0.0 109.052 -179.39 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 54.5 t -65.93 -42.3 91.63 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.544 0 O-C-N 121.14 -0.975 . . . . 0.0 109.351 179.571 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 79.2 m-20 -60.1 -44.1 95.09 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.233 -0.917 . . . . 0.0 110.365 -179.598 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . 0.46 ' CB ' ' HZ1' ' A' ' 55' ' ' LYS . 0.1 OUTLIER -62.7 -40.65 97.79 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.104 -0.997 . . . . 0.0 109.884 -179.57 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 54.0 t -65.09 -40.01 87.48 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.547 0 O-C-N 121.205 -0.935 . . . . 0.0 109.654 -179.559 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 88.4 mmm -60.07 -41.33 92.18 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.089 -1.007 . . . . 0.0 109.877 -179.818 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 84.8 tt0 -61.0 -40.99 95.62 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.292 -0.88 . . . . 0.0 109.755 -179.52 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 94.1 m -69.02 -40.04 78.9 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.355 -0.84 . . . . 0.0 109.868 -179.769 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -73.76 -4.09 32.47 Favored 'General case' 0 N--CA 1.494 1.764 0 O-C-N 121.346 -0.846 . . . . 0.0 110.286 -179.243 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . 0.487 ' OD1' ' N ' ' A' ' 64' ' ' GLY . 60.4 t0 -72.48 68.28 0.79 Allowed 'General case' 0 N--CA 1.49 1.549 0 O-C-N 120.72 -1.237 . . . . 0.0 109.289 -179.801 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 53.1 tp10 -69.76 -39.81 76.48 Favored 'General case' 0 N--CA 1.494 1.74 0 O-C-N 121.432 -0.793 . . . . 0.0 110.427 -179.706 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 51.5 p-10 -87.76 -0.64 57.19 Favored 'General case' 0 N--CA 1.5 2.039 0 O-C-N 120.894 -1.129 . . . . 0.0 110.91 -178.683 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . 0.487 ' N ' ' OD1' ' A' ' 61' ' ' ASP . . . 70.9 22.79 78.38 Favored Glycine 0 N--CA 1.494 2.513 0 O-C-N 120.832 -1.167 . . . . 0.0 110.903 178.656 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . 0.417 ' OD2' ' O ' ' A' ' 67' ' ' GLU . 31.2 p-10 -84.43 -14.42 49.36 Favored 'General case' 0 N--CA 1.498 1.935 0 O-C-N 120.742 -1.446 . . . . 0.0 110.478 -179.556 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 89.84 -10.0 75.29 Favored Glycine 0 N--CA 1.498 2.813 0 O-C-N 120.719 -1.238 . . . . 0.0 110.659 179.099 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . 0.417 ' O ' ' OD2' ' A' ' 65' ' ' ASP . 2.2 pm0 -144.46 167.16 23.14 Favored 'General case' 0 N--CA 1.498 1.947 0 O-C-N 120.917 -1.343 . . . . 0.0 109.14 179.346 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 2.2 p -88.73 117.16 27.51 Favored 'General case' 0 N--CA 1.496 1.841 0 O-C-N 120.976 -1.078 . . . . 0.0 110.106 -178.721 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 86.2 m-20 -91.42 -173.13 3.49 Favored 'General case' 0 N--CA 1.492 1.663 0 CA-C-O 121.69 0.757 . . . . 0.0 110.05 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 66.7 t80 -60.08 -49.91 75.79 Favored 'General case' 0 N--CA 1.486 1.362 0 CA-C-O 121.43 0.633 . . . . 0.0 109.418 179.863 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 12.1 tp-100 -60.13 -47.46 85.82 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.434 -0.791 . . . . 0.0 110.13 -179.906 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 94.6 mt-10 -69.26 -35.62 76.28 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 121.113 -0.992 . . . . 0.0 110.48 -178.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 87.4 t80 -59.98 -43.85 94.85 Favored 'General case' 0 C--N 1.299 -1.608 0 O-C-N 121.016 -1.052 . . . . 0.0 109.248 -179.51 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 11.1 tpt -61.33 -39.97 92.5 Favored 'General case' 0 C--N 1.301 -1.543 0 O-C-N 121.099 -1.001 . . . . 0.0 109.236 179.031 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . 0.406 ' O ' ' OG ' ' A' ' 78' ' ' SER . . . -60.21 -37.25 79.7 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.648 -0.657 . . . . 0.0 110.379 -179.388 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 64.9 t80 -60.08 -40.65 90.26 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 120.974 -1.079 . . . . 0.0 109.893 -179.078 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 68.1 t -60.92 -39.99 83.88 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.535 0 O-C-N 121.098 -1.001 . . . . 0.0 108.849 179.797 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' SER . . . . . 0.407 ' HG ' ' N ' ' A' ' 79' ' ' MET . 78.2 p -61.91 -40.64 96.17 Favored 'General case' 0 N--CA 1.487 1.412 0 O-C-N 121.477 -0.764 . . . . 0.0 110.0 -179.541 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' MET . . . . . 0.407 ' N ' ' HG ' ' A' ' 78' ' ' SER . 61.7 mtt -60.45 -46.39 90.24 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.024 -1.048 . . . . 0.0 109.855 -179.882 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 87.9 t -69.6 -43.61 80.23 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.479 0 O-C-N 121.121 -0.987 . . . . 0.0 108.892 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 94.2 m -63.87 -40.04 95.62 Favored 'General case' 0 C--N 1.304 -1.38 0 O-C-N 121.397 -0.815 . . . . 0.0 108.876 179.686 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 94.6 m -63.34 -40.0 96.09 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.33 -0.856 . . . . 0.0 109.405 179.765 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -63.3 -39.85 95.71 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.249 -0.907 . . . . 0.0 109.693 -179.738 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 60.8 m -65.27 102.77 0.7 Allowed 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.144 -0.972 . . . . 0.0 109.24 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' HIS . . . . . 0.404 ' CG ' ' H ' ' A' ' 86' ' ' GLU . 14.5 t-160 -99.71 -120.84 0.15 Allowed 'General case' 0 N--CA 1.498 1.958 0 O-C-N 121.212 -0.93 . . . . 0.0 109.762 -179.722 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . 0.404 ' H ' ' CG ' ' A' ' 85' ' ' HIS . 91.4 mt-10 -89.23 33.49 0.81 Allowed 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.156 -0.965 . . . . 0.0 109.079 179.792 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 31.0 t80 -59.94 -46.15 90.31 Favored 'General case' 0 C--N 1.3 -1.555 0 O-C-N 121.452 -0.78 . . . . 0.0 109.928 -178.806 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . 0.423 ' O ' ' O ' ' A' ' 89' ' ' GLU . 11.8 p90 -143.51 17.96 1.86 Allowed 'General case' 0 N--CA 1.5 2.048 0 O-C-N 121.029 -1.044 . . . . 0.0 109.595 179.752 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . 0.423 ' O ' ' O ' ' A' ' 88' ' ' PHE . 98.5 mt-10 -61.4 -145.69 0.0 OUTLIER 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.431 -0.793 . . . . 0.0 109.29 -179.933 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 1.2 t-80 58.49 39.93 24.47 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.165 -0.96 . . . . 0.0 109.148 -179.746 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 88.1 tt0 . . . . . 0 N--CA 1.488 1.457 0 CA-C-O 118.061 -0.971 . . . . 0.0 109.195 179.966 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' B' B ' 0' ' ' MET . . . . . 0.537 ' N ' ' SD ' ' B' ' 0' ' ' MET . 4.6 mpp? . . . . . 0 N--CA 1.491 1.578 0 N-CA-C 109.34 -0.615 . . . . 0.0 109.34 . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 16.9 p -114.08 129.06 56.63 Favored 'General case' 0 N--CA 1.5 2.039 0 O-C-N 121.496 -0.752 . . . . 0.0 109.609 -179.832 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 75.8 mm-40 -63.25 -39.85 95.77 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.426 -0.796 . . . . 0.0 109.647 179.892 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -59.92 -39.8 86.68 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.38 -0.825 . . . . 0.0 109.734 -178.934 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 51.4 tp10 -60.04 -45.8 91.62 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 120.804 -1.185 . . . . 0.0 109.045 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 9.2 mtmp? -66.7 -34.22 77.37 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.191 -0.943 . . . . 0.0 109.079 179.106 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -59.88 -40.29 88.22 Favored 'General case' 0 N--CA 1.488 1.447 0 O-C-N 121.349 -0.844 . . . . 0.0 109.56 -179.449 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 7' ' ' MET . . . . . . . . . . . . . 3.9 tpt -60.09 -47.54 85.46 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.073 -1.017 . . . . 0.0 108.629 179.627 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 53.7 t -69.59 -40.09 79.12 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.553 0 O-C-N 121.418 -0.801 . . . . 0.0 108.964 179.7 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.91 -39.94 91.22 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.438 -0.789 . . . . 0.0 110.276 -179.749 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 25.9 tp -59.88 -49.99 75.55 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.233 -0.917 . . . . 0.0 109.987 -178.279 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 11' ' ' ILE . . . . . 0.43 HG22 HD11 ' B' ' 11' ' ' ILE . 96.7 mt -70.06 -46.88 71.28 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.877 0 O-C-N 120.869 -1.145 . . . . 0.0 110.69 -179.555 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 59.8 t0 -60.13 -48.35 82.11 Favored 'General case' 0 N--CA 1.496 1.836 0 O-C-N 121.017 -1.052 . . . . 0.0 109.991 -179.293 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 54.0 t -60.51 -39.59 81.71 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.73 0 O-C-N 121.463 -0.773 . . . . 0.0 109.865 -179.715 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 14' ' ' PHE . . . . . 0.4 ' CD1' ' C ' ' B' ' 14' ' ' PHE . 27.7 t80 -59.38 -49.99 75.69 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.192 -0.942 . . . . 0.0 110.497 -178.565 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 49.5 m-70 -74.9 -42.0 58.63 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 120.793 -1.192 . . . . 0.0 110.975 -179.543 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 7.3 tt0 -60.02 -50.51 73.45 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 120.788 -1.195 . . . . 0.0 110.74 -178.59 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 9.6 m-85 -71.13 -42.46 69.16 Favored 'General case' 0 N--CA 1.495 1.786 0 O-C-N 120.905 -1.122 . . . . 0.0 109.893 -179.808 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 20.6 t -70.04 -40.13 75.31 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.43 -0.794 . . . . 0.0 110.59 -179.369 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -70.62 -9.56 65.46 Favored Glycine 0 N--CA 1.49 2.258 0 C-N-CA 120.177 -1.011 . . . . 0.0 111.085 -178.74 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 14.3 ttp180 -60.06 -40.03 88.06 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 120.516 -1.579 . . . . 0.0 109.714 -179.46 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 99.2 mt-10 -133.04 83.42 2.06 Favored 'General case' 0 N--CA 1.499 1.979 0 O-C-N 121.387 -0.821 . . . . 0.0 109.683 -179.527 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . 44.26 -162.99 0.06 OUTLIER Glycine 0 N--CA 1.494 2.502 0 N-CA-C 110.214 -1.154 . . . . 0.0 110.214 179.498 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 73.6 m-20 50.08 39.96 20.46 Favored 'General case' 0 N--CA 1.493 1.718 0 O-C-N 121.339 -1.095 . . . . 0.0 108.674 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 15.3 ptmt -62.3 -33.52 74.83 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.627 -0.67 . . . . 0.0 111.129 -178.8 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 25' ' ' HIS . . . . . 0.463 ' O ' ' CG ' ' B' ' 25' ' ' HIS . 43.7 t-80 -99.44 4.48 46.17 Favored 'General case' 0 N--CA 1.499 1.981 0 O-C-N 121.031 -1.043 . . . . 0.0 110.646 -179.007 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 89.3 mttt -141.05 157.87 44.71 Favored 'General case' 0 N--CA 1.502 2.161 0 O-C-N 121.03 -1.044 . . . . 0.0 110.666 -179.128 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 85.2 mt -116.28 115.76 26.53 Favored 'General case' 0 N--CA 1.5 2.064 0 N-CA-C 108.672 -0.862 . . . . 0.0 108.672 178.838 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 54.0 tttp -95.69 169.25 10.15 Favored 'General case' 0 N--CA 1.497 1.896 0 O-C-N 121.133 -0.979 . . . . 0.0 108.806 -179.934 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 7.5 ptpp? -56.3 -39.0 72.01 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 120.931 -1.106 . . . . 0.0 110.081 -179.161 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 33.6 t -60.63 -46.47 90.16 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 120.809 -1.182 . . . . 0.0 109.956 -179.76 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 8.8 mm-40 -69.38 -40.0 77.67 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.256 -0.903 . . . . 0.0 110.086 -179.299 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 8.3 tt -62.1 -39.99 94.35 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.279 -0.888 . . . . 0.0 109.678 -179.561 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 62.5 tttm -60.05 -39.98 87.85 Favored 'General case' 0 N--CA 1.494 1.753 0 O-C-N 121.324 -0.86 . . . . 0.0 110.363 -179.139 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 3.4 tm-20 -59.97 -40.03 87.71 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 120.822 -1.173 . . . . 0.0 109.386 -178.822 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 35' ' ' LEU . . . . . 0.415 ' O ' ' N ' ' B' ' 39' ' ' GLU . 85.1 mt -60.16 -38.2 82.44 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.33 -0.856 . . . . 0.0 110.03 179.64 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 36' ' ' ILE . . . . . 0.439 ' O ' ' O ' ' B' ' 39' ' ' GLU . 45.0 mm -59.97 -49.84 82.41 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.782 0 O-C-N 121.329 -0.857 . . . . 0.0 111.153 -178.06 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 37' ' ' ASN . . . . . 0.457 ' O ' ' OG ' ' B' ' 41' ' ' SER . 61.1 m-20 -61.88 -40.07 94.14 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 120.474 -1.391 . . . . 0.0 110.037 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 28.8 t-20 -79.87 -41.77 25.58 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.028 -1.045 . . . . 0.0 110.42 179.845 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 39' ' ' GLU . . . . . 0.439 ' O ' ' O ' ' B' ' 36' ' ' ILE . 87.5 tt0 -122.11 156.76 32.92 Favored 'General case' 0 N--CA 1.502 2.165 0 O-C-N 121.482 -0.761 . . . . 0.0 110.601 -178.641 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 9.5 mt 58.64 19.93 7.22 Favored 'General case' 0 N--CA 1.494 1.74 0 CA-C-O 121.228 0.537 . . . . 0.0 110.31 179.235 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 41' ' ' SER . . . . . 0.457 ' OG ' ' O ' ' B' ' 37' ' ' ASN . 51.6 m -70.0 -41.18 74.71 Favored 'General case' 0 C--N 1.3 -1.567 0 O-C-N 121.047 -1.033 . . . . 0.0 109.952 179.721 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 42' ' ' HIS . . . . . . . . . . . . . 16.0 t60 -97.24 -43.53 7.31 Favored 'General case' 0 N--CA 1.498 1.96 0 O-C-N 121.17 -0.956 . . . . 0.0 110.838 -178.845 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -59.98 -42.52 94.37 Favored 'General case' 0 N--CA 1.495 1.8 0 O-C-N 120.966 -1.084 . . . . 0.0 110.064 -179.123 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 44.7 tp -94.93 151.06 19.51 Favored 'General case' 0 N--CA 1.497 1.879 0 O-C-N 120.947 -1.096 . . . . 0.0 108.992 -179.767 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 45' ' ' GLU . . . . . 0.441 ' OE1' ' O ' ' B' ' 46' ' ' GLU . 12.1 tm-20 -54.46 137.97 41.32 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.067 -1.021 . . . . 0.0 109.056 -179.414 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 46' ' ' GLU . . . . . 0.441 ' O ' ' OE1' ' B' ' 45' ' ' GLU . 50.9 mt-10 -63.42 133.53 54.14 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.318 -0.864 . . . . 0.0 110.04 -179.084 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 88.6 mt -108.41 124.62 64.94 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.894 0 O-C-N 121.507 -0.746 . . . . 0.0 109.33 179.412 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 32.5 ttmt -107.03 -28.27 10.13 Favored 'General case' 0 N--CA 1.495 1.779 0 O-C-N 121.507 -0.746 . . . . 0.0 109.556 -179.809 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 49' ' ' GLU . . . . . 0.471 ' CD ' ' N ' ' B' ' 49' ' ' GLU . 1.0 OUTLIER -102.42 135.5 43.92 Favored 'General case' 0 N--CA 1.497 1.875 0 O-C-N 121.453 -0.779 . . . . 0.0 109.888 -179.217 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 94.3 mt-30 -69.99 -19.28 63.35 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.591 -0.693 . . . . 0.0 109.436 179.904 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 89.1 tt0 -59.78 -39.74 85.89 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.453 -0.779 . . . . 0.0 109.695 -179.351 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 70.8 t -60.05 -40.13 82.33 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.526 0 O-C-N 121.172 -0.955 . . . . 0.0 108.974 -179.42 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 54.7 t -65.9 -42.24 91.59 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.56 0 O-C-N 121.235 -0.915 . . . . 0.0 109.301 179.538 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 78.7 m-20 -60.31 -44.26 95.6 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.243 -0.91 . . . . 0.0 110.197 -179.486 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 55' ' ' LYS . . . . . 0.501 ' CB ' ' HZ1' ' B' ' 55' ' ' LYS . 0.1 OUTLIER -62.58 -40.2 96.13 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.129 -0.982 . . . . 0.0 109.86 -179.48 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 53.6 t -65.28 -39.99 87.16 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.482 0 O-C-N 121.234 -0.916 . . . . 0.0 109.774 -179.596 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 57' ' ' MET . . . . . . . . . . . . . 88.7 mmm -60.22 -41.29 92.76 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.028 -1.045 . . . . 0.0 109.878 -179.696 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 82.1 tt0 -60.97 -41.09 95.74 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.112 -0.992 . . . . 0.0 109.637 -179.47 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 94.4 m -68.72 -40.07 80.13 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.38 -0.825 . . . . 0.0 109.737 -179.622 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 2.5 mm? -74.08 -4.05 33.2 Favored 'General case' 0 N--CA 1.495 1.814 0 O-C-N 121.287 -0.883 . . . . 0.0 110.378 -179.063 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 61' ' ' ASP . . . . . 0.493 ' OD1' ' N ' ' B' ' 64' ' ' GLY . 58.7 t0 -72.49 68.03 0.78 Allowed 'General case' 0 N--CA 1.492 1.672 0 O-C-N 120.734 -1.229 . . . . 0.0 109.236 179.833 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 52.7 tp10 -69.5 -39.58 77.5 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.318 -0.864 . . . . 0.0 110.365 -179.66 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 51.9 p-10 -87.77 -1.01 57.69 Favored 'General case' 0 N--CA 1.498 1.94 0 O-C-N 120.949 -1.095 . . . . 0.0 110.889 -178.786 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 64' ' ' GLY . . . . . 0.493 ' N ' ' OD1' ' B' ' 61' ' ' ASP . . . 71.39 22.4 78.59 Favored Glycine 0 N--CA 1.494 2.551 0 O-C-N 120.745 -1.222 . . . . 0.0 110.994 178.578 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 32.4 p-10 -84.1 -14.35 50.6 Favored 'General case' 0 N--CA 1.497 1.896 0 O-C-N 120.856 -1.379 . . . . 0.0 110.504 -179.423 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 90.06 -10.49 73.86 Favored Glycine 0 N--CA 1.498 2.81 0 O-C-N 120.771 -1.205 . . . . 0.0 110.721 178.942 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 2.3 pm0 -143.86 167.57 22.0 Favored 'General case' 0 N--CA 1.498 1.959 0 O-C-N 120.911 -1.346 . . . . 0.0 109.182 179.26 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 68' ' ' CYS . . . . . . . . . . . . . 2.0 p -88.98 117.21 27.84 Favored 'General case' 0 N--CA 1.498 1.936 0 O-C-N 120.969 -1.082 . . . . 0.0 110.113 -178.803 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 85.1 m-20 -91.22 -172.63 3.36 Favored 'General case' 0 N--CA 1.491 1.606 0 CA-C-O 121.698 0.761 . . . . 0.0 110.154 179.842 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 65.5 t80 -60.22 -49.99 75.45 Favored 'General case' 0 N--CA 1.488 1.468 0 CA-C-O 121.562 0.696 . . . . 0.0 109.462 179.643 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 12.1 tp-100 -60.38 -47.66 85.09 Favored 'General case' 0 N--CA 1.493 1.675 0 O-C-N 121.414 -0.804 . . . . 0.0 110.075 -179.827 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 94.4 mt-10 -68.54 -36.01 78.23 Favored 'General case' 0 N--CA 1.494 1.759 0 O-C-N 121.306 -0.871 . . . . 0.0 110.647 -179.312 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 73' ' ' PHE . . . . . . . . . . . . . 86.1 t80 -59.95 -43.87 94.73 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.044 -1.035 . . . . 0.0 109.346 -179.456 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 74' ' ' MET . . . . . . . . . . . . . 11.0 tpt -61.42 -40.0 92.82 Favored 'General case' 0 C--N 1.301 -1.504 0 O-C-N 121.13 -0.981 . . . . 0.0 109.072 179.076 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 75' ' ' ALA . . . . . 0.417 ' O ' ' OG ' ' B' ' 78' ' ' SER . . . -60.18 -37.31 79.82 Favored 'General case' 0 N--CA 1.494 1.754 0 O-C-N 121.582 -0.699 . . . . 0.0 110.515 -179.481 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 65.6 t80 -60.13 -40.36 89.48 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.084 -1.01 . . . . 0.0 109.972 -179.101 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 77' ' ' VAL . . . . . . . . . . . . . 63.7 t -60.88 -40.12 84.24 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.513 0 O-C-N 121.114 -0.991 . . . . 0.0 108.794 179.698 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 78' ' ' SER . . . . . 0.417 ' OG ' ' O ' ' B' ' 75' ' ' ALA . 67.4 p -61.95 -40.49 95.71 Favored 'General case' 0 N--CA 1.487 1.394 0 O-C-N 121.433 -0.792 . . . . 0.0 109.993 -179.445 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 79' ' ' MET . . . . . . . . . . . . . 61.6 mtt -60.53 -46.72 89.14 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 120.901 -1.124 . . . . 0.0 109.9 -179.883 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 95.9 t -69.4 -43.41 80.95 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.518 0 O-C-N 121.255 -0.903 . . . . 0.0 108.852 179.902 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 94.3 m -64.01 -39.96 95.28 Favored 'General case' 0 C--N 1.304 -1.389 0 O-C-N 121.427 -0.795 . . . . 0.0 109.043 179.602 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 94.3 m -63.36 -40.0 96.07 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.314 -0.866 . . . . 0.0 109.548 179.552 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -63.07 -39.9 96.1 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.258 -0.901 . . . . 0.0 109.643 -179.809 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 84' ' ' CYS . . . . . . . . . . . . . 60.0 m -65.74 102.97 0.81 Allowed 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.266 -0.896 . . . . 0.0 109.233 -179.794 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 85' ' ' HIS . . . . . 0.419 ' CG ' ' H ' ' B' ' 86' ' ' GLU . 14.6 t-160 -100.0 -121.24 0.15 Allowed 'General case' 0 N--CA 1.497 1.922 0 O-C-N 121.269 -0.894 . . . . 0.0 109.742 -179.715 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 86' ' ' GLU . . . . . 0.419 ' H ' ' CG ' ' B' ' 85' ' ' HIS . 91.1 mt-10 -88.59 33.5 0.76 Allowed 'General case' 0 N--CA 1.495 1.804 0 O-C-N 121.302 -0.874 . . . . 0.0 109.021 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 87' ' ' PHE . . . . . . . . . . . . . 30.7 t80 -60.01 -46.23 90.15 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.408 -0.808 . . . . 0.0 109.865 -178.788 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 88' ' ' PHE . . . . . 0.431 ' O ' ' O ' ' B' ' 89' ' ' GLU . 11.2 p90 -143.36 17.53 1.88 Allowed 'General case' 0 N--CA 1.5 2.069 0 O-C-N 121.005 -1.06 . . . . 0.0 109.654 179.793 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 89' ' ' GLU . . . . . 0.431 ' O ' ' O ' ' B' ' 88' ' ' PHE . 98.5 mt-10 -60.96 -145.55 0.0 OUTLIER 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.433 -0.792 . . . . 0.0 109.471 -179.854 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 90' ' ' HIS . . . . . . . . . . . . . 1.2 t-80 58.2 40.02 25.28 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 120.993 -1.067 . . . . 0.0 109.305 -179.662 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 87.3 tt0 . . . . . 0 N--CA 1.491 1.598 0 CA-C-O 118.008 -0.996 . . . . 0.0 109.28 179.982 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 92' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 93' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' B' B ' 92' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' B' B ' 93' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 36.6 ttp . . . . . 0 N--CA 1.49 1.555 0 N-CA-C 109.388 -0.597 . . . . 0.0 109.388 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 47.5 t -127.99 164.58 22.04 Favored 'General case' 0 N--CA 1.499 1.979 0 O-C-N 121.564 -0.71 . . . . 0.0 109.186 -179.924 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . 0.424 ' OE1' ' N ' ' A' ' 2' ' ' GLU . 58.5 mp0 -59.99 -40.1 88.01 Favored 'General case' 0 C--N 1.303 -1.454 0 O-C-N 121.462 -0.774 . . . . 0.0 109.305 -179.832 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -61.65 -32.67 72.85 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.346 -0.846 . . . . 0.0 110.337 -179.48 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -60.11 -40.38 89.5 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 120.794 -1.191 . . . . 0.0 108.685 -179.789 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 26.1 mttp -70.0 -26.65 64.17 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.239 -0.913 . . . . 0.0 109.705 179.216 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -60.03 -43.62 95.17 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.166 -0.958 . . . . 0.0 109.663 -179.387 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 66.4 mtt -60.0 -40.02 87.76 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 120.746 -1.221 . . . . 0.0 108.853 179.322 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 77.2 t -69.98 -39.84 77.91 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.588 0 O-C-N 121.46 -0.775 . . . . 0.0 109.885 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.32 -46.53 88.35 Favored 'General case' 0 N--CA 1.494 1.761 0 O-C-N 121.18 -0.95 . . . . 0.0 110.479 -178.456 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -60.01 -40.64 89.96 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 120.768 -1.207 . . . . 0.0 108.78 179.674 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.406 HG22 HD11 ' A' ' 11' ' ' ILE . 86.8 mt -69.56 -41.92 80.52 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.67 0 O-C-N 121.084 -1.01 . . . . 0.0 109.61 179.573 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 11.5 t0 -64.28 -47.06 80.99 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.268 -0.895 . . . . 0.0 109.639 -179.772 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 53.4 t -63.74 -41.51 92.83 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.479 0 O-C-N 121.25 -0.906 . . . . 0.0 108.914 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 59.3 t80 -59.97 -50.03 75.35 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.413 -0.805 . . . . 0.0 109.481 179.706 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 82.9 t60 -70.26 -44.27 68.81 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.63 -0.669 . . . . 0.0 111.322 -179.247 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 30.1 tt0 -60.01 -48.51 81.4 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 120.975 -1.078 . . . . 0.0 110.467 -178.625 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 4.4 m-85 -70.02 -36.21 74.91 Favored 'General case' 0 N--CA 1.494 1.755 0 O-C-N 121.149 -0.97 . . . . 0.0 110.47 -179.589 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 19.0 t -59.79 -39.98 86.79 Favored 'General case' 0 C--N 1.301 -1.531 0 O-C-N 120.729 -1.232 . . . . 0.0 109.908 -178.679 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -81.74 -7.27 88.28 Favored Glycine 0 N--CA 1.493 2.451 0 C-N-CA 120.107 -1.044 . . . . 0.0 111.149 -179.664 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . 0.556 ' HE ' ' C ' ' A' ' 20' ' ' ARG . 0.0 OUTLIER -70.03 -29.31 66.32 Favored 'General case' 0 N--CA 1.496 1.869 0 O-C-N 120.654 -1.498 . . . . 0.0 110.709 -178.774 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 86.4 tt0 -108.27 -87.75 0.49 Allowed 'General case' 0 N--CA 1.5 2.037 0 O-C-N 121.193 -0.942 . . . . 0.0 110.144 -179.177 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -93.09 -154.78 31.46 Favored Glycine 0 N--CA 1.495 2.573 0 N-CA-C 109.831 -1.308 . . . . 0.0 109.831 -179.585 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . 0.531 ' OD1' ' CE1' ' A' ' 25' ' ' HIS . 34.6 p-10 -74.25 165.29 25.43 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.327 -1.102 . . . . 0.0 109.139 179.933 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . 0.408 ' H ' ' CD ' ' A' ' 24' ' ' LYS . 0.0 OUTLIER -84.96 105.4 15.7 Favored 'General case' 0 N--CA 1.496 1.832 0 O-C-N 121.076 -1.015 . . . . 0.0 109.75 -178.903 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . 0.667 ' ND1' ' H ' ' A' ' 26' ' ' LYS . 8.0 p-80 -169.64 -48.56 0.02 OUTLIER 'General case' 0 N--CA 1.494 1.732 0 O-C-N 121.095 -1.003 . . . . 0.0 109.697 179.208 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.667 ' H ' ' ND1' ' A' ' 25' ' ' HIS . 47.8 mtpt -141.54 157.24 45.38 Favored 'General case' 0 N--CA 1.499 1.982 0 O-C-N 121.421 -0.799 . . . . 0.0 108.87 179.521 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -107.57 139.0 42.77 Favored 'General case' 0 N--CA 1.5 2.031 0 O-C-N 121.354 -0.842 . . . . 0.0 109.034 179.741 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 44.0 mmtm -89.36 169.06 11.73 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.517 -0.74 . . . . 0.0 109.055 -179.874 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 61.0 pttt -60.04 -31.21 69.75 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.192 -0.943 . . . . 0.0 109.666 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' SER . . . . . 0.495 ' HG ' ' N ' ' A' ' 31' ' ' GLU . 88.6 p -60.03 -39.84 87.28 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.238 -0.914 . . . . 0.0 109.784 -179.825 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . 0.495 ' N ' ' HG ' ' A' ' 30' ' ' SER . 98.0 mt-10 -67.6 -31.52 71.62 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.1 -1.0 . . . . 0.0 110.02 -179.536 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -60.1 -43.8 95.3 Favored 'General case' 0 N--CA 1.497 1.882 0 O-C-N 121.195 -0.941 . . . . 0.0 109.135 -179.545 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 61.0 tttp -59.97 -45.3 93.12 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.282 -0.886 . . . . 0.0 110.202 -179.574 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -69.28 -38.47 78.38 Favored 'General case' 0 N--CA 1.494 1.748 0 O-C-N 121.128 -0.983 . . . . 0.0 110.192 179.762 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 28.4 tp -59.97 -41.02 91.05 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.312 -0.867 . . . . 0.0 109.904 -178.603 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 96.6 mt -67.22 -41.12 86.37 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.72 0 O-C-N 121.005 -1.059 . . . . 0.0 110.539 -179.302 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 59.7 t30 -68.05 -35.13 77.73 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.16 -0.963 . . . . 0.0 110.125 -179.493 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 16.3 t-20 -59.94 -45.07 93.8 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.227 -0.921 . . . . 0.0 111.07 -178.459 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . 0.4 ' HG3' ' H ' ' A' ' 40' ' ' LEU . 2.3 pt-20 -108.73 -93.31 0.42 Allowed 'General case' 0 N--CA 1.504 2.244 0 O-C-N 121.062 -1.024 . . . . 0.0 111.077 -178.675 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.4 ' H ' ' HG3' ' A' ' 39' ' ' GLU . 70.6 mt -50.37 94.89 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.369 -0.832 . . . . 0.0 111.155 -178.195 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 94.2 p -109.9 -58.84 2.0 Favored 'General case' 0 N--CA 1.496 1.83 0 N-CA-C 108.076 -1.083 . . . . 0.0 108.076 178.047 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 86.0 t60 -68.05 -40.09 82.9 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.565 -0.709 . . . . 0.0 110.263 179.439 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 47.1 m-85 -59.91 -40.07 87.55 Favored 'General case' 0 N--CA 1.494 1.742 0 O-C-N 121.139 -0.976 . . . . 0.0 110.364 -178.836 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -115.97 109.81 18.08 Favored 'General case' 0 N--CA 1.503 2.185 0 O-C-N 121.26 -0.9 . . . . 0.0 108.864 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . 0.438 ' CD ' ' N ' ' A' ' 45' ' ' GLU . 3.5 pm0 -119.94 -5.97 10.06 Favored 'General case' 0 N--CA 1.499 2.016 0 O-C-N 121.458 -0.776 . . . . 0.0 109.573 179.197 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . 0.411 ' OE1' ' N ' ' A' ' 46' ' ' GLU . 32.9 mp0 -84.0 -9.88 58.32 Favored 'General case' 0 N--CA 1.495 1.784 0 O-C-N 121.157 -0.965 . . . . 0.0 110.085 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 99.5 mt -79.49 91.83 1.58 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.615 0 O-C-N 120.767 -1.208 . . . . 0.0 109.746 -179.414 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 97.4 mttt -124.75 -29.55 3.4 Favored 'General case' 0 N--CA 1.496 1.852 0 N-CA-C 107.961 -1.125 . . . . 0.0 107.961 178.483 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 68.2 mm-40 -104.84 137.32 42.8 Favored 'General case' 0 N--CA 1.493 1.68 0 N-CA-C 108.635 -0.876 . . . . 0.0 108.635 179.462 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 4.5 pp0? -61.27 -21.33 63.82 Favored 'General case' 0 C--N 1.301 -1.543 0 O-C-N 121.171 -0.956 . . . . 0.0 109.703 -179.882 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 89.1 tt0 -60.02 -41.49 92.27 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.248 -0.908 . . . . 0.0 110.134 -178.617 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 55.1 t -60.04 -41.77 87.49 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.572 0 O-C-N 120.928 -1.108 . . . . 0.0 109.369 179.846 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 63.4 t -60.47 -42.88 92.82 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.45 0 O-C-N 121.17 -0.956 . . . . 0.0 109.581 -179.855 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 98.6 m-20 -62.73 -41.84 99.36 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.055 -1.028 . . . . 0.0 109.915 -179.907 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 61.3 tttm -66.63 -44.64 81.46 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.119 -0.988 . . . . 0.0 109.286 179.752 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 55.1 t -70.03 -40.95 79.1 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.583 0 O-C-N 121.582 -0.699 . . . . 0.0 110.052 179.871 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 23.1 ttt -60.33 -42.36 95.49 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.305 -0.872 . . . . 0.0 110.784 -179.111 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -69.6 -39.95 76.95 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.114 -0.991 . . . . 0.0 110.677 -179.051 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 93.7 m -63.28 -41.58 99.02 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.202 -0.936 . . . . 0.0 110.713 -179.525 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -71.87 -39.98 69.27 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.215 -0.928 . . . . 0.0 110.987 -178.47 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 93.6 m-20 -71.84 119.15 15.6 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 120.714 -1.241 . . . . 0.0 109.628 -178.952 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 66.6 mm-40 -70.03 -39.97 75.47 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.344 -0.848 . . . . 0.0 110.119 -179.852 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 29.9 p-10 -90.35 -8.04 51.75 Favored 'General case' 0 N--CA 1.494 1.768 0 O-C-N 121.117 -0.989 . . . . 0.0 110.566 -178.838 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 44.34 51.85 7.47 Favored Glycine 0 N--CA 1.495 2.627 0 N-CA-C 110.129 -1.188 . . . . 0.0 110.129 179.434 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . 0.407 ' N ' ' OD1' ' A' ' 65' ' ' ASP . 28.6 p-10 -88.98 -1.84 58.3 Favored 'General case' 0 N--CA 1.495 1.797 0 O-C-N 121.162 -1.199 . . . . 0.0 110.06 -179.592 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 80.91 -3.64 74.7 Favored Glycine 0 N--CA 1.493 2.483 0 N-CA-C 110.042 -1.223 . . . . 0.0 110.042 179.54 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 80.0 mm-40 -121.77 150.17 42.24 Favored 'General case' 0 N--CA 1.501 2.091 0 O-C-N 121.514 -0.992 . . . . 0.0 108.886 179.83 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 3.3 m -101.02 111.82 24.12 Favored 'General case' 0 N--CA 1.496 1.869 0 O-C-N 121.392 -0.817 . . . . 0.0 109.474 179.938 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 64.0 m-20 -89.05 164.34 15.1 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.547 -0.721 . . . . 0.0 109.155 179.781 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 58.8 t80 -59.95 -40.31 88.56 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.122 -0.986 . . . . 0.0 109.127 -179.611 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 46.2 mt-30 -60.14 -40.04 88.41 Favored 'General case' 0 N--CA 1.488 1.434 0 O-C-N 121.37 -0.831 . . . . 0.0 108.949 179.72 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 95.9 mt-10 -69.87 -36.75 75.73 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.382 -0.824 . . . . 0.0 109.446 179.614 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 57.7 t80 -59.95 -48.64 80.87 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.428 -0.795 . . . . 0.0 109.292 -179.457 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' MET . . . . . 0.519 ' O ' ' SD ' ' A' ' 74' ' ' MET . 0.0 OUTLIER -60.13 -40.17 88.82 Favored 'General case' 0 C--N 1.301 -1.536 0 N-CA-C 108.576 -0.898 . . . . 0.0 108.576 179.581 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -60.79 -36.99 80.41 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.486 -0.759 . . . . 0.0 110.49 179.928 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 36.7 t80 -60.02 -44.95 94.26 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.144 -0.972 . . . . 0.0 109.574 -178.715 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 71.9 t -65.61 -40.23 87.38 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.478 0 O-C-N 121.15 -0.969 . . . . 0.0 109.662 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' SER . . . . . 0.441 ' O ' ' OG1' ' A' ' 82' ' ' THR . 30.4 t -63.3 -40.37 97.17 Favored 'General case' 0 N--CA 1.494 1.76 0 O-C-N 121.34 -0.85 . . . . 0.0 110.832 -179.161 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 13.8 tpt -60.03 -43.84 95.04 Favored 'General case' 0 N--CA 1.494 1.739 0 O-C-N 120.908 -1.12 . . . . 0.0 109.839 -179.079 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 55.3 t -65.01 -49.0 81.73 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.666 0 O-C-N 120.901 -1.125 . . . . 0.0 109.601 179.894 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 2.8 m -70.49 -39.63 74.06 Favored 'General case' 0 N--CA 1.489 1.475 0 O-C-N 121.308 -0.87 . . . . 0.0 110.139 -179.279 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' THR . . . . . 0.441 ' OG1' ' O ' ' A' ' 78' ' ' SER . 94.2 m -60.01 -41.01 91.22 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.055 -1.028 . . . . 0.0 110.454 -178.894 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -70.39 -40.04 74.18 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.045 -1.034 . . . . 0.0 110.495 -179.6 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 74.9 m -80.2 134.38 36.12 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.155 -0.966 . . . . 0.0 111.234 -178.194 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 2.2 m-70 -82.94 -145.96 0.07 Allowed 'General case' 0 N--CA 1.489 1.511 0 N-CA-C 107.428 -1.323 . . . . 0.0 107.428 178.281 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . 0.506 ' OE1' ' N ' ' A' ' 86' ' ' GLU . 40.5 mp0 -59.9 -40.09 87.62 Favored 'General case' 0 C--N 1.301 -1.539 0 N-CA-C 106.989 -1.486 . . . . 0.0 106.989 178.26 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 40.1 t80 43.56 66.66 0.77 Allowed 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.637 -0.664 . . . . 0.0 110.698 178.127 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . 0.523 ' O ' ' CG ' ' A' ' 88' ' ' PHE . 1.9 p90 -149.16 117.02 6.27 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.155 -0.966 . . . . 0.0 109.349 179.259 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -83.17 -130.78 0.03 OUTLIER 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.314 -0.867 . . . . 0.0 109.311 -179.738 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' HIS . . . . . 0.428 ' O ' ' O ' ' A' ' 91' ' ' GLU . 87.2 m-70 49.45 90.73 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.602 0 O-C-N 120.99 -1.069 . . . . 0.0 109.386 -179.849 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . 0.428 ' O ' ' O ' ' A' ' 90' ' ' HIS . 45.9 tp10 . . . . . 0 N--CA 1.493 1.704 0 CA-C-O 118.087 -0.959 . . . . 0.0 109.578 -179.711 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 0' ' ' MET . . . . . . . . . . . . . 35.5 ttp . . . . . 0 N--CA 1.489 1.491 0 N-CA-C 109.45 -0.574 . . . . 0.0 109.45 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' B' B ' 1' ' ' SER . . . . . 0.552 ' HG ' ' N ' ' B' ' 2' ' ' GLU . 48.2 t -127.91 164.73 21.64 Favored 'General case' 0 N--CA 1.496 1.871 0 O-C-N 121.491 -0.756 . . . . 0.0 109.255 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 2' ' ' GLU . . . . . 0.552 ' N ' ' HG ' ' B' ' 1' ' ' SER . 58.4 mp0 -59.96 -39.97 87.45 Favored 'General case' 0 C--N 1.302 -1.46 0 O-C-N 121.402 -0.811 . . . . 0.0 109.343 -179.867 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -62.26 -32.23 72.9 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.296 -0.877 . . . . 0.0 110.222 -179.488 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -60.01 -40.31 88.83 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 120.384 -1.447 . . . . 0.0 108.628 -179.94 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 21.5 mttp -70.06 -27.1 64.35 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.289 -0.882 . . . . 0.0 109.737 179.417 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -60.04 -42.91 95.47 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.098 -1.001 . . . . 0.0 109.758 -179.332 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 7' ' ' MET . . . . . . . . . . . . . 66.7 mtt -60.17 -39.97 88.3 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 120.773 -1.205 . . . . 0.0 108.684 179.42 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 73.8 t -69.94 -39.87 78.03 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.666 0 O-C-N 121.453 -0.779 . . . . 0.0 109.792 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.17 -46.96 87.01 Favored 'General case' 0 N--CA 1.494 1.749 0 O-C-N 121.224 -0.923 . . . . 0.0 110.529 -178.338 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -59.95 -40.13 87.97 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 120.763 -1.211 . . . . 0.0 108.764 179.802 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 11' ' ' ILE . . . . . 0.413 HG22 HD11 ' B' ' 11' ' ' ILE . 88.4 mt -69.97 -41.95 79.5 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.634 0 O-C-N 121.171 -0.956 . . . . 0.0 109.402 179.727 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 11.3 t0 -64.39 -47.03 80.78 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 121.247 -0.908 . . . . 0.0 109.656 -179.751 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 54.4 t -63.84 -41.3 92.11 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.471 0 O-C-N 121.267 -0.895 . . . . 0.0 109.021 179.91 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 14' ' ' PHE . . . . . . . . . . . . . 58.2 t80 -60.04 -49.95 75.65 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.393 -0.817 . . . . 0.0 109.505 179.549 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 82.6 t60 -70.37 -44.15 68.66 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.584 -0.697 . . . . 0.0 111.262 -179.201 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 30.3 tt0 -60.06 -48.68 80.7 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 120.939 -1.1 . . . . 0.0 110.379 -178.648 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 4.3 m-85 -69.93 -36.23 75.16 Favored 'General case' 0 N--CA 1.495 1.776 0 O-C-N 121.088 -1.007 . . . . 0.0 110.522 -179.621 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 20.0 t -59.66 -40.13 86.74 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 120.718 -1.239 . . . . 0.0 109.892 -178.696 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -81.89 -6.99 88.51 Favored Glycine 0 N--CA 1.492 2.427 0 C-N-CA 120.088 -1.053 . . . . 0.0 111.202 -179.493 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 20' ' ' ARG . . . . . 0.557 ' C ' ' HE ' ' B' ' 20' ' ' ARG . 0.0 OUTLIER -70.09 -29.38 66.34 Favored 'General case' 0 N--CA 1.495 1.811 0 O-C-N 120.611 -1.523 . . . . 0.0 110.721 -178.808 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 86.4 tt0 -108.47 -87.67 0.49 Allowed 'General case' 0 N--CA 1.499 2.014 0 O-C-N 121.233 -0.917 . . . . 0.0 110.134 -179.174 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . -92.95 -154.61 31.3 Favored Glycine 0 N--CA 1.496 2.679 0 N-CA-C 109.868 -1.293 . . . . 0.0 109.868 -179.549 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 23' ' ' ASP . . . . . 0.533 ' OD1' ' CE1' ' B' ' 25' ' ' HIS . 34.5 p-10 -74.76 165.14 25.72 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.282 -1.128 . . . . 0.0 109.101 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 24' ' ' LYS . . . . . 0.414 ' H ' ' CD ' ' B' ' 24' ' ' LYS . 0.0 OUTLIER -84.5 105.47 15.34 Favored 'General case' 0 N--CA 1.497 1.924 0 O-C-N 121.103 -0.998 . . . . 0.0 109.697 -178.861 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' B' B ' 25' ' ' HIS . . . . . 0.678 ' ND1' ' H ' ' B' ' 26' ' ' LYS . 7.9 p-80 -169.85 -48.42 0.02 OUTLIER 'General case' 0 N--CA 1.494 1.729 0 O-C-N 121.107 -0.995 . . . . 0.0 109.781 179.215 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 26' ' ' LYS . . . . . 0.678 ' H ' ' ND1' ' B' ' 25' ' ' HIS . 47.1 mtpt -141.67 157.62 44.84 Favored 'General case' 0 N--CA 1.497 1.914 0 O-C-N 121.373 -0.829 . . . . 0.0 108.792 179.517 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -108.19 138.96 43.57 Favored 'General case' 0 N--CA 1.5 2.027 0 O-C-N 121.299 -0.876 . . . . 0.0 108.943 179.761 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 44.2 mmtm -89.33 169.18 11.64 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.485 -0.76 . . . . 0.0 109.027 -179.701 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 61.7 pttt -60.02 -31.3 69.82 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.305 -0.872 . . . . 0.0 109.662 179.935 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 88.3 p -60.03 -39.73 86.9 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.229 -0.919 . . . . 0.0 109.841 -179.902 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 -67.7 -31.48 71.46 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.089 -1.007 . . . . 0.0 109.902 -179.59 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -60.0 -44.09 94.78 Favored 'General case' 0 N--CA 1.495 1.802 0 O-C-N 121.108 -0.995 . . . . 0.0 109.197 -179.558 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 58.5 tttp -60.0 -44.84 94.28 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.317 -0.864 . . . . 0.0 110.195 -179.481 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -69.45 -38.38 77.76 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 121.095 -1.003 . . . . 0.0 110.209 179.731 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 30.1 tp -59.94 -41.13 91.14 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.188 -0.945 . . . . 0.0 110.005 -178.696 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 96.9 mt -67.12 -41.23 86.75 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.786 0 O-C-N 120.986 -1.071 . . . . 0.0 110.566 -179.198 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 59.0 t30 -68.12 -34.99 77.41 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.069 -1.019 . . . . 0.0 110.138 -179.449 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 16.4 t-20 -59.99 -45.03 94.06 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.242 -0.911 . . . . 0.0 111.145 -178.557 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 2.2 pt-20 -108.76 -92.85 0.42 Allowed 'General case' 0 N--CA 1.505 2.278 0 O-C-N 121.096 -1.003 . . . . 0.0 110.971 -178.591 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 70.7 mt -50.93 94.82 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.371 -0.831 . . . . 0.0 111.273 -178.122 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 41' ' ' SER . . . . . 0.459 ' HG ' ' H ' ' B' ' 42' ' ' HIS . 90.5 p -109.77 -59.07 1.97 Allowed 'General case' 0 N--CA 1.496 1.854 0 N-CA-C 108.098 -1.075 . . . . 0.0 108.098 178.134 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 42' ' ' HIS . . . . . 0.459 ' H ' ' HG ' ' B' ' 41' ' ' SER . 86.0 t60 -67.93 -39.92 83.41 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.589 -0.694 . . . . 0.0 110.232 179.495 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 47.3 m-85 -59.99 -40.06 87.87 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.17 -0.956 . . . . 0.0 110.377 -178.822 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -116.01 109.56 17.71 Favored 'General case' 0 N--CA 1.502 2.129 0 O-C-N 121.312 -0.868 . . . . 0.0 108.964 -179.888 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 45' ' ' GLU . . . . . 0.432 ' N ' ' CD ' ' B' ' 45' ' ' GLU . 3.6 pm0 -119.83 -5.91 10.11 Favored 'General case' 0 N--CA 1.501 2.091 0 O-C-N 121.421 -0.8 . . . . 0.0 109.651 179.312 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 46' ' ' GLU . . . . . 0.406 ' OE1' ' N ' ' B' ' 46' ' ' GLU . 33.3 mp0 -84.24 -9.24 58.68 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 121.221 -0.925 . . . . 0.0 109.977 179.936 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 99.2 mt -80.05 91.45 1.68 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.623 0 O-C-N 120.846 -1.159 . . . . 0.0 109.854 -179.497 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 97.9 mttt -124.46 -29.31 3.51 Favored 'General case' 0 N--CA 1.496 1.848 0 N-CA-C 107.959 -1.126 . . . . 0.0 107.959 178.586 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 67.8 mm-40 -105.12 137.19 43.26 Favored 'General case' 0 N--CA 1.493 1.696 0 N-CA-C 108.737 -0.838 . . . . 0.0 108.737 179.459 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 4.5 pp0? -61.3 -21.21 63.75 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.237 -0.914 . . . . 0.0 109.757 -179.818 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 89.0 tt0 -59.89 -41.82 92.45 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.311 -0.868 . . . . 0.0 110.171 -178.83 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 54.5 t -60.02 -41.45 86.29 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.587 0 O-C-N 120.943 -1.098 . . . . 0.0 109.342 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 53.1 t -60.99 -42.39 92.8 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.459 0 O-C-N 121.307 -0.871 . . . . 0.0 109.676 -179.79 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 98.5 m-20 -62.98 -41.92 99.69 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.027 -1.046 . . . . 0.0 109.783 -179.941 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 61.0 tttm -66.44 -44.67 82.2 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.234 -0.916 . . . . 0.0 109.224 179.707 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 54.5 t -70.04 -40.72 78.81 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.527 0 O-C-N 121.522 -0.736 . . . . 0.0 109.831 -179.909 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 57' ' ' MET . . . . . . . . . . . . . 22.7 ttt -60.68 -42.63 97.5 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.308 -0.87 . . . . 0.0 110.821 -178.924 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -69.22 -39.99 78.22 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.223 -0.923 . . . . 0.0 110.589 -178.859 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 94.5 m -63.19 -41.89 99.26 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 121.037 -1.039 . . . . 0.0 110.538 -179.517 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -71.63 -39.96 70.07 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.275 -0.891 . . . . 0.0 111.037 -178.407 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 94.1 m-20 -71.97 119.14 15.73 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 120.774 -1.204 . . . . 0.0 109.711 -178.927 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 66.2 mm-40 -69.94 -40.05 75.71 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.386 -0.821 . . . . 0.0 110.144 -179.888 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 63' ' ' ASP . . . . . 0.404 ' N ' ' OD1' ' B' ' 63' ' ' ASP . 30.0 p-10 -90.28 -7.94 52.16 Favored 'General case' 0 N--CA 1.495 1.775 0 O-C-N 121.191 -0.943 . . . . 0.0 110.63 -178.813 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 44.44 51.58 7.7 Favored Glycine 0 N--CA 1.497 2.711 0 N-CA-C 110.085 -1.206 . . . . 0.0 110.085 179.458 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 65' ' ' ASP . . . . . 0.424 ' N ' ' OD1' ' B' ' 65' ' ' ASP . 29.1 p-10 -88.95 -1.91 58.33 Favored 'General case' 0 N--CA 1.495 1.815 0 O-C-N 121.17 -1.194 . . . . 0.0 110.016 -179.606 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 80.65 -2.87 77.18 Favored Glycine 0 N--CA 1.492 2.406 0 N-CA-C 110.03 -1.228 . . . . 0.0 110.03 179.372 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 79.7 mm-40 -122.28 150.02 42.9 Favored 'General case' 0 N--CA 1.499 1.976 0 O-C-N 121.478 -1.013 . . . . 0.0 108.791 179.716 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 68' ' ' CYS . . . . . . . . . . . . . 3.4 m -101.05 112.09 24.46 Favored 'General case' 0 N--CA 1.496 1.833 0 O-C-N 121.291 -0.88 . . . . 0.0 109.399 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 63.4 m-20 -89.2 164.49 14.96 Favored 'General case' 0 N--CA 1.493 1.686 0 N-CA-C 109.168 -0.679 . . . . 0.0 109.168 179.612 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 58.5 t80 -59.94 -40.48 89.08 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.23 -0.919 . . . . 0.0 109.089 -179.675 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 43.7 mt-30 -59.98 -40.02 87.72 Favored 'General case' 0 N--CA 1.488 1.449 0 O-C-N 121.395 -0.816 . . . . 0.0 108.95 179.862 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 96.0 mt-10 -69.92 -36.89 75.7 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.376 -0.828 . . . . 0.0 109.467 179.727 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 73' ' ' PHE . . . . . . . . . . . . . 60.7 t80 -59.9 -48.66 80.8 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.415 -0.803 . . . . 0.0 109.33 -179.39 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 74' ' ' MET . . . . . 0.504 ' O ' ' SD ' ' B' ' 74' ' ' MET . 0.0 OUTLIER -60.03 -40.01 87.89 Favored 'General case' 0 C--N 1.3 -1.547 0 N-CA-C 108.527 -0.916 . . . . 0.0 108.527 179.487 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -60.62 -37.21 80.68 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 121.52 -0.738 . . . . 0.0 110.389 179.883 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 36.9 t80 -60.05 -45.18 93.7 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.231 -0.918 . . . . 0.0 109.622 -178.611 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 77' ' ' VAL . . . . . . . . . . . . . 78.5 t -65.49 -39.99 86.84 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.509 0 O-C-N 121.257 -0.902 . . . . 0.0 109.633 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 78' ' ' SER . . . . . 0.451 ' O ' ' OG1' ' B' ' 82' ' ' THR . 29.5 t -63.61 -40.4 96.82 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.235 -0.916 . . . . 0.0 110.795 -179.083 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 79' ' ' MET . . . . . . . . . . . . . 13.6 tpt -60.0 -43.73 95.0 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 120.917 -1.115 . . . . 0.0 109.919 -179.101 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 54.8 t -64.98 -49.08 81.43 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.674 0 O-C-N 121.0 -1.062 . . . . 0.0 109.695 179.882 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 2.7 m -70.4 -39.65 74.36 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.353 -0.842 . . . . 0.0 110.118 -179.371 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 82' ' ' THR . . . . . 0.451 ' OG1' ' O ' ' B' ' 78' ' ' SER . 94.6 m -60.02 -41.45 92.21 Favored 'General case' 0 N--CA 1.494 1.745 0 O-C-N 121.116 -0.99 . . . . 0.0 110.093 -178.651 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -69.98 -40.04 75.6 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.101 -0.999 . . . . 0.0 110.65 -179.438 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 84' ' ' CYS . . . . . . . . . . . . . 77.6 m -80.09 134.37 36.18 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.123 -0.986 . . . . 0.0 111.324 -178.343 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 85' ' ' HIS . . . . . . . . . . . . . 2.2 m-70 -82.79 -145.97 0.07 Allowed 'General case' 0 N--CA 1.489 1.516 0 N-CA-C 107.479 -1.304 . . . . 0.0 107.479 178.274 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 86' ' ' GLU . . . . . 0.496 ' OE1' ' N ' ' B' ' 86' ' ' GLU . 40.5 mp0 -60.06 -39.97 87.87 Favored 'General case' 0 C--N 1.302 -1.483 0 N-CA-C 107.025 -1.472 . . . . 0.0 107.025 178.24 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 87' ' ' PHE . . . . . . . . . . . . . 41.7 t80 43.55 66.54 0.79 Allowed 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.667 -0.646 . . . . 0.0 110.652 178.101 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 88' ' ' PHE . . . . . 0.528 ' CG ' ' O ' ' B' ' 88' ' ' PHE . 2.0 p90 -148.93 116.93 6.33 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.032 -1.043 . . . . 0.0 109.395 179.359 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -82.85 -129.96 0.03 OUTLIER 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.335 -0.853 . . . . 0.0 109.429 -179.597 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 90' ' ' HIS . . . . . 0.442 ' O ' ' O ' ' B' ' 91' ' ' GLU . 87.4 m-70 48.22 91.46 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.038 -1.039 . . . . 0.0 109.474 -179.631 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 91' ' ' GLU . . . . . 0.442 ' O ' ' O ' ' B' ' 90' ' ' HIS . 45.9 tp10 . . . . . 0 N--CA 1.492 1.652 0 CA-C-O 118.12 -0.943 . . . . 0.0 109.677 -179.783 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 92' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 93' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' B' B ' 92' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' B' B ' 93' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 41.4 tpp . . . . . 0 N--CA 1.492 1.651 0 N-CA-C 108.962 -0.755 . . . . 0.0 108.962 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 3.8 t -82.14 103.89 12.08 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.101 -0.999 . . . . 0.0 109.608 -179.715 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 48.1 mt-10 -69.79 -39.01 76.87 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.403 -0.811 . . . . 0.0 109.537 179.797 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 51.7 tp -60.03 -47.21 86.79 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.372 -0.83 . . . . 0.0 109.584 -179.051 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 88.2 tt0 -60.01 -49.9 75.86 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.035 -1.04 . . . . 0.0 109.665 -179.686 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 37.6 ttpt -60.84 -42.83 98.54 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.27 -0.894 . . . . 0.0 109.937 179.537 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -64.07 -39.61 94.45 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.431 -0.793 . . . . 0.0 110.499 -179.326 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 12.7 ttm -59.99 -41.65 92.53 Favored 'General case' 0 N--CA 1.495 1.789 0 O-C-N 120.874 -1.141 . . . . 0.0 109.334 -179.305 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 96.4 t -67.93 -36.87 77.19 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.628 0 O-C-N 121.201 -0.937 . . . . 0.0 109.91 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -53.11 -41.7 65.27 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.125 -0.984 . . . . 0.0 110.196 -178.481 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 11.1 mp -60.38 -42.53 96.05 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 120.815 -1.178 . . . . 0.0 108.859 179.405 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 36.5 mm -66.13 -44.06 91.9 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.678 0 O-C-N 121.196 -0.94 . . . . 0.0 109.55 179.614 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 7.1 t70 -60.42 -48.24 82.61 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.274 -0.892 . . . . 0.0 110.397 -179.762 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 95.4 t -69.31 -46.29 77.38 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.495 0 O-C-N 121.354 -0.841 . . . . 0.0 109.764 -179.103 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . 0.475 ' CE1' ' OG ' ' A' ' 18' ' ' SER . 62.2 t80 -60.07 -48.46 81.61 Favored 'General case' 0 C--N 1.299 -1.59 0 O-C-N 121.519 -0.738 . . . . 0.0 110.273 -179.381 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 52.1 t-80 -60.04 -41.79 93.03 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.252 -0.905 . . . . 0.0 111.145 -179.051 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 4.1 tp-100 -60.58 -53.55 56.09 Favored 'General case' 0 N--CA 1.495 1.814 0 O-C-N 120.944 -1.098 . . . . 0.0 110.514 -179.028 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . 0.412 ' OH ' ' OD1' ' A' ' 38' ' ' ASN . 8.3 m-85 -71.93 -40.02 69.06 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.179 -0.95 . . . . 0.0 110.304 -179.528 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' SER . . . . . 0.475 ' OG ' ' CE1' ' A' ' 14' ' ' PHE . 53.5 m -60.07 -41.51 92.58 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.005 -1.06 . . . . 0.0 109.92 -178.563 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -82.82 33.79 2.82 Favored Glycine 0 N--CA 1.492 2.393 0 N-CA-C 109.988 -1.245 . . . . 0.0 109.988 179.842 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . 0.425 ' HG2' HH11 ' A' ' 20' ' ' ARG . 41.1 ttt-85 -59.77 -61.94 2.25 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 120.901 -1.353 . . . . 0.0 109.43 -179.123 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . 0.457 ' O ' ' N ' ' A' ' 23' ' ' ASP . 85.9 tt0 -179.03 139.13 0.15 Allowed 'General case' 0 N--CA 1.497 1.903 0 N-CA-C 109.097 -0.705 . . . . 0.0 109.097 179.129 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 66.48 -51.15 0.2 Allowed Glycine 0 N--CA 1.494 2.535 0 N-CA-C 110.31 -1.116 . . . . 0.0 110.31 179.418 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . 0.463 ' N ' ' OD1' ' A' ' 23' ' ' ASP . 11.7 p30 -89.1 115.67 26.8 Favored 'General case' 0 N--CA 1.497 1.901 0 O-C-N 121.119 -1.224 . . . . 0.0 109.349 -179.899 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 68.0 mttm -93.15 -80.1 0.39 Allowed 'General case' 0 N--CA 1.5 2.055 0 O-C-N 121.165 -0.959 . . . . 0.0 111.773 -178.581 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 89.1 m-70 -105.95 21.36 17.43 Favored 'General case' 0 N--CA 1.503 2.185 0 O-C-N 121.418 -0.801 . . . . 0.0 109.715 -179.031 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.546 ' CB ' ' HZ3' ' A' ' 26' ' ' LYS . 0.0 OUTLIER -133.01 153.89 51.05 Favored 'General case' 0 N--CA 1.493 1.714 0 N-CA-C 108.707 -0.849 . . . . 0.0 108.707 -179.868 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 59.1 mt -119.69 135.39 54.85 Favored 'General case' 0 N--CA 1.498 1.946 0 O-C-N 121.615 -0.678 . . . . 0.0 109.183 -179.225 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 32.5 mtmm -94.24 173.91 7.41 Favored 'General case' 0 N--CA 1.495 1.795 0 O-C-N 121.423 -0.798 . . . . 0.0 109.026 179.918 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -60.04 -40.14 88.34 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.031 -1.043 . . . . 0.0 109.399 -179.559 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 43.8 t -70.03 -45.95 66.09 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.078 -1.014 . . . . 0.0 109.538 179.645 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . 0.441 ' OE2' ' OD2' ' A' ' 23' ' ' ASP . 4.0 tp10 -64.11 -39.95 95.16 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.329 -0.857 . . . . 0.0 109.661 179.838 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.452 ' CD1' ' C ' ' A' ' 32' ' ' LEU . 3.1 tm? -59.97 -49.07 79.12 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.324 -0.86 . . . . 0.0 109.778 -178.335 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 84.1 tttt -62.2 -40.66 96.83 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.089 -1.007 . . . . 0.0 109.975 -179.903 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 41.6 tt0 -62.64 -40.08 95.87 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.25 -0.907 . . . . 0.0 110.285 -179.439 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 7.0 tt -59.94 -48.18 82.74 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.133 -0.979 . . . . 0.0 109.9 -179.332 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.455 ' O ' ' O ' ' A' ' 39' ' ' GLU . 97.7 mt -65.77 -40.04 86.57 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.519 0 O-C-N 121.066 -1.021 . . . . 0.0 110.284 -179.86 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 4.6 m120 -60.08 -49.55 77.22 Favored 'General case' 0 C--N 1.302 -1.491 0 O-C-N 120.748 -1.22 . . . . 0.0 110.423 -178.403 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . 0.412 ' OD1' ' OH ' ' A' ' 17' ' ' TYR . 19.8 t-20 -80.49 -40.29 26.42 Favored 'General case' 0 N--CA 1.495 1.785 0 O-C-N 120.916 -1.115 . . . . 0.0 110.777 -179.605 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . 0.455 ' O ' ' O ' ' A' ' 36' ' ' ILE . 98.3 mt-10 -108.37 158.18 17.74 Favored 'General case' 0 N--CA 1.501 2.125 0 O-C-N 121.296 -0.877 . . . . 0.0 110.225 -178.76 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 5.9 tp 60.93 11.4 3.28 Favored 'General case' 0 C--N 1.302 -1.496 0 N-CA-C 108.383 -0.969 . . . . 0.0 108.383 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' SER . . . . . 0.439 ' O ' ' O ' ' A' ' 44' ' ' LEU . 51.7 p -70.02 -38.73 75.99 Favored 'General case' 0 N--CA 1.487 1.403 0 O-C-N 121.614 -0.679 . . . . 0.0 109.43 179.831 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 82.3 m-70 -68.64 -41.07 79.94 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.255 -0.903 . . . . 0.0 109.896 -179.479 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 2.1 t80 -71.91 -39.92 69.17 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.261 -0.9 . . . . 0.0 110.186 -179.044 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.439 ' O ' ' O ' ' A' ' 41' ' ' SER . 28.7 tp -122.06 147.74 45.73 Favored 'General case' 0 N--CA 1.503 2.219 0 O-C-N 121.306 -0.871 . . . . 0.0 109.513 -179.101 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -71.69 150.01 44.94 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.141 -0.975 . . . . 0.0 108.808 179.131 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 -67.06 147.55 53.03 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.059 -1.026 . . . . 0.0 109.91 -179.671 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 95.8 mt -93.45 130.13 42.9 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.806 0 O-C-N 121.498 -0.751 . . . . 0.0 109.577 -179.678 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 57.0 mtpt -100.18 -16.38 17.8 Favored 'General case' 0 N--CA 1.496 1.87 0 O-C-N 121.26 -0.9 . . . . 0.0 110.613 -179.003 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . 0.433 ' N ' ' OE1' ' A' ' 49' ' ' GLU . 53.7 mp0 -110.16 130.22 55.58 Favored 'General case' 0 N--CA 1.505 2.292 0 O-C-N 121.258 -0.901 . . . . 0.0 110.428 -179.691 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 27.4 mt-30 -70.06 -26.98 64.27 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.62 -0.675 . . . . 0.0 109.814 179.124 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 88.4 tt0 -60.0 -40.07 87.93 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.335 -0.853 . . . . 0.0 109.827 -178.476 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 57.7 t -60.21 -43.34 93.04 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.595 0 O-C-N 121.017 -1.052 . . . . 0.0 108.96 179.388 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 76.9 t -61.0 -41.03 87.58 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.622 0 O-C-N 121.239 -0.913 . . . . 0.0 109.478 -179.864 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 7.1 t70 -59.99 -49.97 75.58 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.178 -0.951 . . . . 0.0 110.856 -179.444 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . 0.444 ' CB ' ' HZ1' ' A' ' 55' ' ' LYS . 9.1 mtmp? -61.45 -39.98 92.8 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 120.994 -1.066 . . . . 0.0 109.27 -179.226 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 55.4 t -62.19 -40.93 89.45 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.496 0 O-C-N 121.335 -0.853 . . . . 0.0 109.59 179.718 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 53.3 tpp -59.99 -43.03 95.42 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.186 -0.946 . . . . 0.0 109.773 -179.609 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 97.8 mt-10 -60.5 -40.48 91.51 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.202 -0.936 . . . . 0.0 110.371 -179.587 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 88.5 m -62.54 -42.53 99.59 Favored 'General case' 0 C--N 1.301 -1.543 0 O-C-N 121.365 -0.834 . . . . 0.0 109.854 -179.123 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.436 ' O ' ' N ' ' A' ' 62' ' ' GLU . 21.5 mt -82.2 -11.88 58.44 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 121.243 -0.911 . . . . 0.0 110.755 -179.604 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 99.9 m-20 -70.59 51.13 0.13 Allowed 'General case' 0 N--CA 1.493 1.683 0 O-C-N 120.88 -1.138 . . . . 0.0 109.612 -179.657 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . 0.436 ' N ' ' O ' ' A' ' 60' ' ' LEU . 76.3 mm-40 -61.65 -40.08 93.63 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.38 -0.825 . . . . 0.0 109.65 179.929 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 42.6 p-10 -82.53 -9.41 59.43 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 121.138 -0.976 . . . . 0.0 109.971 -179.47 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 65.08 31.04 79.51 Favored Glycine 0 N--CA 1.492 2.432 0 C-N-CA 119.893 -1.146 . . . . 0.0 110.266 179.252 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . 0.438 ' OD2' ' O ' ' A' ' 67' ' ' GLU . 31.8 p-10 -83.88 -9.69 58.55 Favored 'General case' 0 N--CA 1.495 1.776 0 O-C-N 120.961 -1.317 . . . . 0.0 109.949 -179.903 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 73.01 6.75 68.87 Favored Glycine 0 N--CA 1.493 2.439 0 N-CA-C 110.375 -1.09 . . . . 0.0 110.375 179.47 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . 0.438 ' O ' ' OD2' ' A' ' 65' ' ' ASP . 16.0 pt-20 -148.12 159.97 43.38 Favored 'General case' 0 N--CA 1.496 1.861 0 O-C-N 121.007 -1.29 . . . . 0.0 109.73 -179.691 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 22.5 t -99.52 113.57 26.05 Favored 'General case' 0 N--CA 1.498 1.949 0 O-C-N 121.17 -0.956 . . . . 0.0 109.352 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 70.5 m-20 -97.52 -178.7 4.22 Favored 'General case' 0 N--CA 1.497 1.875 0 O-C-N 121.406 -0.809 . . . . 0.0 110.191 -179.518 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 58.5 t80 -59.99 -44.66 94.38 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.379 -0.825 . . . . 0.0 109.902 -179.737 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 12.6 pt20 -60.04 -47.13 87.13 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 120.879 -1.138 . . . . 0.0 108.455 179.456 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 78.0 tt0 -64.32 -36.84 85.42 Favored 'General case' 0 C--N 1.301 -1.502 0 O-C-N 121.538 -0.726 . . . . 0.0 109.291 178.851 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 64.4 t80 -59.97 -41.93 93.01 Favored 'General case' 0 N--CA 1.494 1.761 0 O-C-N 121.233 -0.917 . . . . 0.0 109.688 -179.72 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 11.0 tpt -60.03 -39.99 87.79 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.039 -1.038 . . . . 0.0 109.161 179.569 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -60.06 -36.04 76.47 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.555 -0.716 . . . . 0.0 109.601 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 13.5 t80 -59.95 -48.03 83.37 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.149 -0.97 . . . . 0.0 109.017 -179.19 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 86.5 t -65.1 -40.53 89.19 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.618 0 O-C-N 121.293 -0.88 . . . . 0.0 109.505 179.921 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 77.3 p -60.76 -36.21 78.35 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.395 -0.816 . . . . 0.0 109.684 179.808 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 28.2 ttt -60.09 -40.09 88.41 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.318 -0.864 . . . . 0.0 109.84 -178.89 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 53.0 t -68.28 -40.14 82.13 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.556 0 O-C-N 121.096 -1.003 . . . . 0.0 109.032 179.869 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 76.0 p -69.94 -40.39 75.52 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.238 -0.914 . . . . 0.0 110.189 -179.887 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 40.6 p -64.08 -39.67 94.57 Favored 'General case' 0 C--N 1.302 -1.461 0 O-C-N 121.109 -0.994 . . . . 0.0 109.152 179.854 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -68.39 -27.94 66.67 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.477 -0.764 . . . . 0.0 109.837 -179.93 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 51.4 t -46.74 107.85 0.12 Allowed 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.114 -0.991 . . . . 0.0 109.514 -179.875 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 7.1 t60 -138.96 114.28 9.62 Favored 'General case' 0 N--CA 1.496 1.857 0 O-C-N 121.32 -0.863 . . . . 0.0 108.899 179.906 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 21.8 tp10 65.33 22.4 12.04 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.491 -0.756 . . . . 0.0 109.358 -179.654 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' PHE . . . . . 0.428 ' O ' ' O ' ' A' ' 88' ' ' PHE . 2.7 m-85 -89.98 -81.41 0.29 Allowed 'General case' 0 N--CA 1.498 1.946 0 O-C-N 120.968 -1.083 . . . . 0.0 108.48 179.337 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . 0.428 ' O ' ' O ' ' A' ' 87' ' ' PHE . 95.3 m-85 38.2 93.35 0.01 OUTLIER 'General case' 0 N--CA 1.496 1.841 0 CA-C-O 121.221 0.534 . . . . 0.0 110.784 179.255 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -62.16 129.54 41.27 Favored 'General case' 0 N--CA 1.488 1.451 0 O-C-N 121.219 -0.926 . . . . 0.0 109.425 -179.805 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 90' ' ' HIS . . . . . 0.437 ' CG ' ' H ' ' A' ' 91' ' ' GLU . 0.8 OUTLIER 49.11 -130.95 1.85 Allowed 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.341 -0.849 . . . . 0.0 110.047 179.899 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . 0.437 ' H ' ' CG ' ' A' ' 90' ' ' HIS . 87.9 tt0 . . . . . 0 N--CA 1.496 1.864 0 CA-C-O 118.039 -0.982 . . . . 0.0 109.103 -179.786 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 0' ' ' MET . . . . . . . . . . . . . 45.0 tpp . . . . . 0 N--CA 1.491 1.62 0 N-CA-C 108.951 -0.759 . . . . 0.0 108.951 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 3.3 t -82.41 103.92 12.33 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.019 -1.051 . . . . 0.0 109.524 -179.778 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 48.4 mt-10 -69.89 -39.13 76.45 Favored 'General case' 0 N--CA 1.489 1.475 0 O-C-N 121.379 -0.826 . . . . 0.0 109.477 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 46.2 tp -60.0 -47.37 86.11 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.474 -0.766 . . . . 0.0 109.583 -179.123 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 88.2 tt0 -59.97 -49.85 76.06 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 120.954 -1.091 . . . . 0.0 109.704 -179.607 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 37.1 ttpt -60.84 -42.77 98.45 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.113 -0.992 . . . . 0.0 109.905 179.487 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -63.85 -39.86 95.21 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.398 -0.814 . . . . 0.0 110.506 -179.456 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 7' ' ' MET . . . . . . . . . . . . . 17.1 ttm -59.98 -41.57 92.28 Favored 'General case' 0 N--CA 1.494 1.768 0 O-C-N 120.768 -1.208 . . . . 0.0 109.398 -179.353 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 88.0 t -67.8 -37.73 79.0 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.512 0 O-C-N 121.26 -0.9 . . . . 0.0 109.864 -179.853 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -52.94 -40.65 63.81 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.179 -0.95 . . . . 0.0 110.255 -178.442 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 11.0 mp -61.28 -42.09 98.05 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 120.793 -1.192 . . . . 0.0 108.819 179.369 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 37.1 mm -66.54 -43.91 90.45 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.657 0 O-C-N 121.194 -0.941 . . . . 0.0 109.53 179.476 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 7.1 t70 -60.18 -48.5 81.45 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.365 -0.834 . . . . 0.0 110.357 -179.702 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 94.0 t -68.88 -46.58 78.93 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.518 0 O-C-N 121.387 -0.821 . . . . 0.0 109.866 -179.157 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 14' ' ' PHE . . . . . 0.473 ' CE1' ' OG ' ' B' ' 18' ' ' SER . 60.2 t80 -59.97 -48.18 82.75 Favored 'General case' 0 C--N 1.301 -1.501 0 O-C-N 121.485 -0.759 . . . . 0.0 110.264 -179.468 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 53.3 t-80 -60.1 -42.14 94.03 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.228 -0.92 . . . . 0.0 111.15 -179.059 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 4.1 tp-100 -60.45 -53.4 58.0 Favored 'General case' 0 N--CA 1.496 1.835 0 O-C-N 120.99 -1.069 . . . . 0.0 110.49 -178.875 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 8.4 m-85 -71.95 -40.15 68.87 Favored 'General case' 0 N--CA 1.494 1.762 0 O-C-N 121.272 -0.893 . . . . 0.0 110.277 -179.462 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 18' ' ' SER . . . . . 0.473 ' OG ' ' CE1' ' B' ' 14' ' ' PHE . 55.6 m -59.91 -41.93 92.76 Favored 'General case' 0 C--N 1.3 -1.558 0 O-C-N 121.047 -1.033 . . . . 0.0 110.12 -178.762 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -82.63 33.88 2.77 Favored Glycine 0 N--CA 1.492 2.41 0 N-CA-C 109.902 -1.279 . . . . 0.0 109.902 179.793 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 20' ' ' ARG . . . . . 0.436 ' HG2' HH11 ' B' ' 20' ' ' ARG . 37.3 ttt-85 -59.67 -61.82 2.34 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 120.904 -1.351 . . . . 0.0 109.529 -179.193 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 21' ' ' GLU . . . . . 0.471 ' O ' ' N ' ' B' ' 23' ' ' ASP . 85.6 tt0 -179.26 139.19 0.14 Allowed 'General case' 0 N--CA 1.497 1.906 0 N-CA-C 109.029 -0.73 . . . . 0.0 109.029 179.257 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . 66.31 -51.25 0.19 Allowed Glycine 0 N--CA 1.493 2.473 0 N-CA-C 110.334 -1.106 . . . . 0.0 110.334 179.333 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 23' ' ' ASP . . . . . 0.506 ' OD1' ' N ' ' B' ' 23' ' ' ASP . 12.1 p30 -89.07 115.76 26.85 Favored 'General case' 0 N--CA 1.497 1.898 0 O-C-N 121.158 -1.201 . . . . 0.0 109.414 -179.799 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 68.0 mttm -92.91 -80.36 0.38 Allowed 'General case' 0 N--CA 1.5 2.054 0 O-C-N 121.248 -0.907 . . . . 0.0 111.986 -178.449 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 25' ' ' HIS . . . . . . . . . . . . . 88.3 m-70 -105.97 21.54 17.14 Favored 'General case' 0 N--CA 1.502 2.173 0 O-C-N 121.326 -0.859 . . . . 0.0 109.633 -179.012 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 26' ' ' LYS . . . . . 0.598 ' CB ' ' HZ1' ' B' ' 26' ' ' LYS . 0.0 OUTLIER -133.6 153.45 51.65 Favored 'General case' 0 N--CA 1.493 1.678 0 N-CA-C 108.719 -0.845 . . . . 0.0 108.719 -179.672 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 53.7 mt -119.31 136.13 54.39 Favored 'General case' 0 N--CA 1.496 1.85 0 O-C-N 121.531 -0.73 . . . . 0.0 109.138 -179.175 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 31.5 mtmm -94.62 173.79 7.44 Favored 'General case' 0 N--CA 1.494 1.764 0 O-C-N 121.408 -0.807 . . . . 0.0 108.99 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -60.0 -39.99 87.67 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.035 -1.041 . . . . 0.0 109.506 -179.585 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 46.1 t -70.31 -45.35 66.44 Favored 'General case' 0 N--CA 1.488 1.465 0 O-C-N 121.054 -1.029 . . . . 0.0 109.511 179.663 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 31' ' ' GLU . . . . . 0.43 ' OE2' ' OD2' ' B' ' 23' ' ' ASP . 4.0 tp10 -64.73 -39.93 94.47 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.345 -0.847 . . . . 0.0 109.649 179.806 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 32' ' ' LEU . . . . . 0.447 ' C ' ' CD1' ' B' ' 32' ' ' LEU . 3.0 tm? -60.02 -49.5 77.43 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.228 -0.92 . . . . 0.0 109.398 -178.232 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 84.4 tttt -61.52 -40.91 96.32 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.092 -1.005 . . . . 0.0 110.051 -179.801 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 41.7 tt0 -62.6 -39.95 95.37 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.349 -0.845 . . . . 0.0 110.363 -179.441 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 6.7 tt -60.02 -48.21 82.65 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.178 -0.951 . . . . 0.0 109.905 -179.301 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 36' ' ' ILE . . . . . 0.456 ' O ' ' O ' ' B' ' 39' ' ' GLU . 96.6 mt -65.86 -40.05 86.45 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.583 0 O-C-N 121.038 -1.039 . . . . 0.0 110.188 -179.655 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 4.9 m120 -59.95 -49.62 76.96 Favored 'General case' 0 C--N 1.301 -1.502 0 O-C-N 120.86 -1.15 . . . . 0.0 110.434 -178.535 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 19.6 t-20 -80.42 -40.34 26.58 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 120.927 -1.108 . . . . 0.0 110.757 -179.601 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 39' ' ' GLU . . . . . 0.456 ' O ' ' O ' ' B' ' 36' ' ' ILE . 98.1 mt-10 -108.7 158.04 17.98 Favored 'General case' 0 N--CA 1.501 2.1 0 O-C-N 121.162 -0.961 . . . . 0.0 110.284 -178.704 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 6.0 tp 60.96 11.76 3.51 Favored 'General case' 0 C--N 1.302 -1.484 0 N-CA-C 108.329 -0.989 . . . . 0.0 108.329 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 41' ' ' SER . . . . . 0.443 ' O ' ' O ' ' B' ' 44' ' ' LEU . 53.4 p -70.23 -38.76 75.29 Favored 'General case' 0 N--CA 1.487 1.411 0 O-C-N 121.61 -0.681 . . . . 0.0 109.358 179.495 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 42' ' ' HIS . . . . . . . . . . . . . 79.0 m-70 -68.25 -41.56 80.96 Favored 'General case' 0 N--CA 1.488 1.441 0 O-C-N 121.209 -0.932 . . . . 0.0 109.852 -179.41 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 2.0 t80 -72.02 -39.99 68.79 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.348 -0.845 . . . . 0.0 110.354 -179.142 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 44' ' ' LEU . . . . . 0.443 ' O ' ' O ' ' B' ' 41' ' ' SER . 35.2 tp -121.35 147.71 45.33 Favored 'General case' 0 N--CA 1.506 2.332 0 O-C-N 121.37 -0.831 . . . . 0.0 109.528 -179.301 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -71.7 149.84 45.09 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.1 -1.0 . . . . 0.0 108.746 178.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -66.99 147.81 52.75 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 120.95 -1.094 . . . . 0.0 109.867 -179.56 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 92.9 mt -93.42 129.9 43.21 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.759 0 O-C-N 121.502 -0.749 . . . . 0.0 109.613 -179.594 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 57.4 mtpt -99.97 -16.49 17.93 Favored 'General case' 0 N--CA 1.496 1.862 0 O-C-N 121.356 -0.84 . . . . 0.0 110.707 -178.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 49' ' ' GLU . . . . . 0.435 ' OE1' ' N ' ' B' ' 49' ' ' GLU . 52.0 mp0 -110.06 130.19 55.57 Favored 'General case' 0 N--CA 1.503 2.206 0 O-C-N 121.281 -0.887 . . . . 0.0 110.438 -179.692 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 27.3 mt-30 -70.39 -26.74 63.85 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.654 -0.654 . . . . 0.0 109.609 179.3 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -59.94 -40.07 87.67 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.158 -0.964 . . . . 0.0 109.889 -178.525 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 58.7 t -60.3 -43.27 93.21 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.571 0 O-C-N 121.006 -1.058 . . . . 0.0 109.008 179.298 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 73.9 t -60.81 -41.05 87.11 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.581 0 O-C-N 121.239 -0.913 . . . . 0.0 109.4 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 7.4 t70 -59.98 -50.02 75.38 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.239 -0.913 . . . . 0.0 110.837 -179.293 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 55' ' ' LYS . . . . . 0.409 ' CB ' ' HZ1' ' B' ' 55' ' ' LYS . 9.0 mtmp? -61.53 -40.07 93.34 Favored 'General case' 0 C--N 1.303 -1.456 0 O-C-N 120.913 -1.117 . . . . 0.0 109.308 -179.126 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 55.5 t -62.35 -40.38 87.68 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.527 0 O-C-N 121.264 -0.898 . . . . 0.0 109.535 179.812 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 57' ' ' MET . . . . . . . . . . . . . 49.8 tpp -60.14 -43.43 95.72 Favored 'General case' 0 N--CA 1.494 1.749 0 O-C-N 121.236 -0.915 . . . . 0.0 109.708 -179.649 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -60.52 -40.46 91.52 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.094 -1.004 . . . . 0.0 110.27 -179.49 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 92.7 m -62.03 -42.71 99.46 Favored 'General case' 0 C--N 1.301 -1.503 0 O-C-N 121.364 -0.835 . . . . 0.0 109.796 -179.091 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 30.8 mt -82.0 -12.31 58.39 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.254 -0.904 . . . . 0.0 110.739 -179.693 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 99.5 m-20 -70.51 51.65 0.13 Allowed 'General case' 0 N--CA 1.492 1.665 0 O-C-N 120.793 -1.192 . . . . 0.0 109.586 -179.46 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 76.6 mm-40 -61.97 -40.02 94.16 Favored 'General case' 0 N--CA 1.487 1.422 0 O-C-N 121.299 -0.876 . . . . 0.0 109.543 179.908 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 41.9 p-10 -82.47 -9.26 59.5 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 121.029 -1.044 . . . . 0.0 110.049 -179.464 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 65.21 30.49 77.94 Favored Glycine 0 N--CA 1.492 2.421 0 C-N-CA 119.805 -1.188 . . . . 0.0 110.302 179.195 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 65' ' ' ASP . . . . . 0.434 ' OD2' ' O ' ' B' ' 67' ' ' GLU . 32.2 p-10 -83.6 -9.87 58.62 Favored 'General case' 0 N--CA 1.494 1.772 0 O-C-N 121.02 -1.282 . . . . 0.0 109.971 -179.87 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 73.02 6.84 69.17 Favored Glycine 0 N--CA 1.492 2.423 0 N-CA-C 110.184 -1.166 . . . . 0.0 110.184 179.395 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 67' ' ' GLU . . . . . 0.434 ' O ' ' OD2' ' B' ' 65' ' ' ASP . 16.2 pt-20 -148.27 160.25 43.15 Favored 'General case' 0 N--CA 1.495 1.814 0 O-C-N 120.879 -1.366 . . . . 0.0 109.728 -179.723 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 68' ' ' CYS . . . . . . . . . . . . . 34.4 t -99.57 113.82 26.46 Favored 'General case' 0 N--CA 1.499 2.019 0 O-C-N 121.239 -0.913 . . . . 0.0 109.387 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 70.6 m-20 -98.05 -178.05 3.94 Favored 'General case' 0 N--CA 1.499 1.994 0 O-C-N 121.267 -0.896 . . . . 0.0 109.998 -179.702 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 62.7 t80 -59.97 -45.2 93.44 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.488 -0.757 . . . . 0.0 109.988 -179.616 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 12.5 pt20 -59.98 -47.15 87.0 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 120.905 -1.122 . . . . 0.0 108.443 179.669 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 80.8 tt0 -64.59 -35.94 82.64 Favored 'General case' 0 C--N 1.301 -1.508 0 O-C-N 121.523 -0.736 . . . . 0.0 109.239 178.845 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 73' ' ' PHE . . . . . . . . . . . . . 65.0 t80 -59.92 -42.35 93.73 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 121.264 -0.898 . . . . 0.0 109.698 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 74' ' ' MET . . . . . . . . . . . . . 11.1 tpt -59.94 -40.15 87.99 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.155 -0.966 . . . . 0.0 109.182 179.765 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -60.09 -35.75 75.89 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.404 -0.81 . . . . 0.0 109.743 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 13.3 t80 -59.97 -47.94 83.74 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.22 -0.925 . . . . 0.0 108.908 -179.32 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 77' ' ' VAL . . . . . . . . . . . . . 96.0 t -65.06 -40.75 90.0 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.666 0 O-C-N 121.307 -0.87 . . . . 0.0 109.441 179.941 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 78' ' ' SER . . . . . 0.427 ' HG ' ' N ' ' B' ' 79' ' ' MET . 77.9 p -60.64 -36.17 78.01 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.505 -0.747 . . . . 0.0 109.728 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 79' ' ' MET . . . . . 0.427 ' N ' ' HG ' ' B' ' 78' ' ' SER . 28.2 ttt -60.05 -40.18 88.56 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.3 -0.875 . . . . 0.0 109.772 -178.782 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 54.5 t -68.41 -40.02 81.67 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.487 0 O-C-N 121.127 -0.983 . . . . 0.0 109.083 179.853 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 68.9 p -69.74 -40.68 76.03 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.271 -0.893 . . . . 0.0 110.098 -179.884 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 39.9 p -63.92 -39.65 94.65 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.155 -0.966 . . . . 0.0 109.261 179.864 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -68.52 -27.81 66.44 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.324 -0.86 . . . . 0.0 109.728 -179.812 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 84' ' ' CYS . . . . . . . . . . . . . 52.8 t -46.48 107.9 0.12 Allowed 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.277 -0.89 . . . . 0.0 109.485 -179.919 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 85' ' ' HIS . . . . . . . . . . . . . 7.1 t60 -139.41 113.99 9.18 Favored 'General case' 0 N--CA 1.496 1.848 0 O-C-N 121.272 -0.893 . . . . 0.0 108.897 179.896 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 21.5 tp10 65.61 22.27 11.7 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.556 -0.715 . . . . 0.0 109.345 -179.617 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 87' ' ' PHE . . . . . 0.42 ' O ' ' C ' ' B' ' 88' ' ' PHE . 2.6 m-85 -90.03 -80.72 0.31 Allowed 'General case' 0 N--CA 1.498 1.934 0 O-C-N 121.023 -1.048 . . . . 0.0 108.54 179.445 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 88' ' ' PHE . . . . . 0.42 ' C ' ' O ' ' B' ' 87' ' ' PHE . 94.9 m-85 37.45 93.1 0.01 OUTLIER 'General case' 0 N--CA 1.496 1.837 0 O-C-N 121.82 -0.55 . . . . 0.0 110.899 179.256 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -61.59 129.76 42.66 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.197 -0.94 . . . . 0.0 109.4 -179.804 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 90' ' ' HIS . . . . . 0.408 ' CG ' ' H ' ' B' ' 91' ' ' GLU . 0.8 OUTLIER 49.0 -130.61 1.86 Allowed 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.294 -0.879 . . . . 0.0 110.087 179.872 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' B' B ' 91' ' ' GLU . . . . . 0.408 ' H ' ' CG ' ' B' ' 90' ' ' HIS . 88.2 tt0 . . . . . 0 N--CA 1.497 1.878 0 CA-C-O 117.967 -1.016 . . . . 0.0 109.12 -179.867 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 92' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 93' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' B' B ' 92' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' B' B ' 93' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 14.9 mmt . . . . . 0 N--CA 1.487 1.397 0 CA-C-O 121.38 0.61 . . . . 0.0 109.568 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 22.6 t -145.21 150.72 37.21 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.415 -0.803 . . . . 0.0 109.488 -179.739 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 39.7 mt-10 -69.86 -28.9 66.04 Favored 'General case' 0 C--N 1.302 -1.49 0 O-C-N 121.575 -0.703 . . . . 0.0 109.977 179.173 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 66.2 tp -59.79 -49.79 76.35 Favored 'General case' 0 N--CA 1.496 1.835 0 O-C-N 121.315 -0.866 . . . . 0.0 109.199 -179.676 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 53.6 tp10 -62.06 -40.57 96.24 Favored 'General case' 0 C--N 1.295 -1.785 0 O-C-N 120.828 -1.17 . . . . 0.0 109.28 179.283 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 2.2 tpmt? -60.16 -42.69 95.48 Favored 'General case' 0 N--CA 1.488 1.449 0 O-C-N 121.203 -0.936 . . . . 0.0 109.916 -179.919 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -61.31 -37.81 84.58 Favored 'General case' 0 C--N 1.299 -1.602 0 O-C-N 121.091 -1.006 . . . . 0.0 109.234 179.797 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 56.6 ttm -60.83 -47.6 85.61 Favored 'General case' 0 N--CA 1.488 1.464 0 O-C-N 121.444 -0.785 . . . . 0.0 109.547 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 73.8 t -63.75 -42.8 97.17 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.857 0 O-C-N 121.433 -0.792 . . . . 0.0 109.916 -179.813 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -63.05 -39.97 96.32 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.536 -0.728 . . . . 0.0 109.617 -179.162 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 56.5 tp -59.98 -45.79 91.55 Favored 'General case' 0 C--N 1.302 -1.466 0 O-C-N 121.126 -0.984 . . . . 0.0 109.336 -179.496 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 96.4 mt -64.71 -40.98 90.93 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.906 0 O-C-N 121.256 -0.902 . . . . 0.0 110.209 -179.82 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 19.7 t0 -60.42 -44.16 96.03 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 121.282 -0.886 . . . . 0.0 110.585 -178.807 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 54.7 t -61.24 -47.62 92.66 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.489 0 O-C-N 121.066 -1.021 . . . . 0.0 109.714 -179.214 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 63.5 t80 -61.28 -49.87 75.29 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.001 -1.062 . . . . 0.0 109.38 -179.704 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . 0.542 ' HD1' ' CD2' ' A' ' 25' ' ' HIS . 86.7 t60 -62.98 -40.63 98.32 Favored 'General case' 0 N--CA 1.487 1.423 0 O-C-N 121.168 -0.958 . . . . 0.0 109.6 179.496 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 2.6 tp-100 -62.95 -51.83 65.37 Favored 'General case' 0 N--CA 1.493 1.718 0 O-C-N 121.234 -0.916 . . . . 0.0 110.514 -178.609 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 48.4 t80 -66.33 -48.68 69.49 Favored 'General case' 0 N--CA 1.488 1.426 0 O-C-N 120.822 -1.174 . . . . 0.0 109.528 -179.892 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' SER . . . . . 0.564 ' HG ' ' N ' ' A' ' 19' ' ' GLY . 91.7 p -67.32 -39.61 85.88 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.454 -0.779 . . . . 0.0 109.893 -179.939 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . 0.564 ' N ' ' HG ' ' A' ' 18' ' ' SER . . . -64.25 -48.52 73.76 Favored Glycine 0 N--CA 1.489 2.221 0 C-N-CA 119.746 -1.216 . . . . 0.0 111.16 -178.903 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -61.66 -41.92 98.2 Favored 'General case' 0 N--CA 1.497 1.879 0 O-C-N 120.947 -1.326 . . . . 0.0 110.376 -178.661 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . 0.424 ' O ' ' O ' ' A' ' 18' ' ' SER . 96.1 mt-10 -103.95 130.67 51.59 Favored 'General case' 0 N--CA 1.504 2.245 0 O-C-N 121.038 -1.039 . . . . 0.0 110.103 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 80.36 -15.81 16.3 Favored Glycine 0 N--CA 1.49 2.296 0 N-CA-C 110.373 -1.091 . . . . 0.0 110.373 179.271 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 89.7 m-20 51.92 51.13 17.12 Favored 'General case' 0 N--CA 1.497 1.901 0 O-C-N 120.999 -1.295 . . . . 0.0 109.826 179.916 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . 0.424 ' HG3' ' H ' ' A' ' 25' ' ' HIS . 5.3 tptm -165.01 -173.95 3.12 Favored 'General case' 0 N--CA 1.495 1.778 0 O-C-N 120.976 -1.077 . . . . 0.0 109.186 -179.688 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . 0.542 ' CD2' ' HD1' ' A' ' 15' ' ' HIS . 45.5 m80 -109.1 26.56 10.48 Favored 'General case' 0 N--CA 1.501 2.121 0 O-C-N 121.176 -0.952 . . . . 0.0 110.788 -178.582 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 22.1 pttp -130.08 154.14 47.75 Favored 'General case' 0 N--CA 1.501 2.08 0 O-C-N 121.099 -1.001 . . . . 0.0 108.881 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 38.3 mt -126.07 141.12 52.08 Favored 'General case' 0 N--CA 1.501 2.088 0 O-C-N 121.266 -0.896 . . . . 0.0 109.669 -179.071 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.495 ' CB ' ' HZ2' ' A' ' 28' ' ' LYS . 0.0 OUTLIER -96.41 -179.81 4.76 Favored 'General case' 0 N--CA 1.502 2.145 0 O-C-N 121.184 -0.947 . . . . 0.0 109.373 179.98 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 12.0 ttmm -60.15 -44.4 95.0 Favored 'General case' 0 N--CA 1.495 1.803 0 O-C-N 121.454 -0.779 . . . . 0.0 111.278 -178.558 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 73.3 m -60.05 -41.73 92.93 Favored 'General case' 0 N--CA 1.497 1.892 0 O-C-N 120.371 -1.456 . . . . 0.0 109.99 -179.085 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -70.5 -40.25 73.66 Favored 'General case' 0 N--CA 1.496 1.863 0 O-C-N 121.331 -0.856 . . . . 0.0 110.775 -179.568 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -60.16 -41.1 92.07 Favored 'General case' 0 N--CA 1.495 1.824 0 O-C-N 121.228 -0.92 . . . . 0.0 109.691 -179.103 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 81.2 tttt -59.76 -42.41 93.22 Favored 'General case' 0 C--N 1.304 -1.38 0 O-C-N 120.231 -1.543 . . . . 0.0 108.291 178.397 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 79.4 mm-40 -65.98 -38.53 88.78 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.479 -0.763 . . . . 0.0 110.22 -179.553 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -57.89 -46.85 84.27 Favored 'General case' 0 N--CA 1.497 1.901 0 O-C-N 121.381 -0.825 . . . . 0.0 110.517 -178.597 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 96.6 mt -60.17 -49.48 83.94 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.88 0 O-C-N 120.641 -1.287 . . . . 0.0 109.67 -179.026 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 86.3 m-20 -73.92 -27.23 60.92 Favored 'General case' 0 N--CA 1.488 1.427 0 O-C-N 121.168 -0.958 . . . . 0.0 109.979 179.587 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 45.3 t30 -60.42 -48.24 82.6 Favored 'General case' 0 N--CA 1.497 1.897 0 O-C-N 120.916 -1.115 . . . . 0.0 111.809 -178.529 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 42.1 mt-10 -120.05 -27.8 5.26 Favored 'General case' 0 N--CA 1.505 2.304 0 O-C-N 121.134 -0.979 . . . . 0.0 111.475 -177.609 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 75.1 mt -103.81 52.57 0.76 Allowed 'General case' 0 N--CA 1.501 2.117 0 O-C-N 121.062 -1.024 . . . . 0.0 110.117 -178.462 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' SER . . . . . 0.491 ' O ' ' O ' ' A' ' 44' ' ' LEU . 21.7 p -94.85 -54.63 3.4 Favored 'General case' 0 N--CA 1.5 2.061 0 O-C-N 121.146 -0.971 . . . . 0.0 110.226 179.9 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 84.0 t60 -61.07 -46.7 89.58 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 120.87 -1.144 . . . . 0.0 109.627 -179.506 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 27.0 m-85 -62.83 -40.91 98.85 Favored 'General case' 0 C--N 1.3 -1.57 0 O-C-N 121.184 -0.947 . . . . 0.0 110.381 -179.223 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.491 ' O ' ' O ' ' A' ' 41' ' ' SER . 87.8 mt -111.97 125.1 53.69 Favored 'General case' 0 N--CA 1.502 2.148 0 O-C-N 121.519 -0.738 . . . . 0.0 109.53 -179.517 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . 0.43 ' N ' ' OE2' ' A' ' 46' ' ' GLU . 85.3 tt0 -144.42 77.26 1.53 Allowed 'General case' 0 N--CA 1.495 1.782 0 CA-C-O 121.986 0.898 . . . . 0.0 109.061 179.207 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . 0.479 ' CD ' ' N ' ' A' ' 46' ' ' GLU . 1.3 pm0 -160.39 9.37 0.1 Allowed 'General case' 0 C--N 1.301 -1.533 0 O-C-N 121.05 -1.031 . . . . 0.0 109.13 179.947 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 82.5 mt -96.14 111.02 25.55 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.871 0 O-C-N 121.279 -0.888 . . . . 0.0 108.866 179.722 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 60.2 tttm -125.85 -14.87 6.07 Favored 'General case' 0 N--CA 1.496 1.847 0 N-CA-C 108.879 -0.786 . . . . 0.0 108.879 179.815 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 95.5 mt-10 -120.57 141.11 50.59 Favored 'General case' 0 N--CA 1.5 2.042 0 O-C-N 121.444 -0.785 . . . . 0.0 110.042 -179.174 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -68.01 -20.84 65.05 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.548 -0.72 . . . . 0.0 109.193 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -59.87 -40.23 87.95 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.093 -1.004 . . . . 0.0 108.956 179.43 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 70.9 t -60.02 -40.89 84.42 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.659 0 O-C-N 121.178 -0.951 . . . . 0.0 109.547 -179.587 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 54.1 t -61.18 -42.86 94.99 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.515 0 O-C-N 120.869 -1.144 . . . . 0.0 109.76 -179.52 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 90.3 m-20 -60.75 -43.05 98.43 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.401 -0.812 . . . . 0.0 109.984 -179.521 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 37.5 ttpt -61.34 -42.31 98.48 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.25 -0.906 . . . . 0.0 108.815 179.296 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 54.6 t -60.96 -40.64 86.14 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.946 0 O-C-N 121.233 -0.917 . . . . 0.0 109.776 179.773 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 81.7 mmm -61.7 -40.48 95.14 Favored 'General case' 0 C--N 1.299 -1.616 0 O-C-N 121.73 -0.606 . . . . 0.0 110.457 -179.282 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 86.5 mt-10 -61.91 -37.89 86.35 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 120.898 -1.126 . . . . 0.0 110.757 -179.698 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 88.2 m -72.53 -47.07 51.39 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 120.653 -1.28 . . . . 0.0 111.074 -178.222 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 2.2 pp -77.95 -40.1 40.51 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 120.956 -1.09 . . . . 0.0 111.053 -178.172 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 53.9 t0 -80.63 96.77 6.96 Favored 'General case' 0 N--CA 1.497 1.909 0 O-C-N 120.772 -1.205 . . . . 0.0 110.715 -179.461 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . 0.482 ' OE1' ' N ' ' A' ' 62' ' ' GLU . 54.1 mp0 -64.81 -39.91 94.36 Favored 'General case' 0 N--CA 1.496 1.836 0 O-C-N 121.166 -0.959 . . . . 0.0 108.974 178.632 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 95.0 m-20 -65.55 -43.69 89.13 Favored 'General case' 0 N--CA 1.503 2.188 0 O-C-N 121.002 -1.061 . . . . 0.0 109.955 -179.727 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 71.96 32.99 62.97 Favored Glycine 0 N--CA 1.492 2.387 0 N-CA-C 108.443 -1.863 . . . . 0.0 108.443 -178.745 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . 0.421 ' N ' ' OD1' ' A' ' 65' ' ' ASP . 39.0 p-10 -88.78 -2.2 58.47 Favored 'General case' 0 N--CA 1.489 1.475 0 O-C-N 121.376 -1.073 . . . . 0.0 110.036 -179.134 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 88.52 -3.65 85.18 Favored Glycine 0 N--CA 1.492 2.423 0 O-C-N 120.657 -1.277 . . . . 0.0 110.305 179.089 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 72.0 mm-40 -117.29 140.61 49.34 Favored 'General case' 0 N--CA 1.501 2.113 0 O-C-N 121.445 -1.032 . . . . 0.0 109.976 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 62.6 m -94.4 115.43 27.62 Favored 'General case' 0 N--CA 1.497 1.892 0 O-C-N 121.222 -0.924 . . . . 0.0 109.886 -179.701 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 82.3 m-20 -89.42 155.91 19.02 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.325 -0.86 . . . . 0.0 108.916 179.049 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 44.4 t80 -58.91 -44.86 91.36 Favored 'General case' 0 C--N 1.299 -1.597 0 O-C-N 121.448 -0.783 . . . . 0.0 110.01 -179.561 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 11.5 pt20 -60.92 -41.89 97.03 Favored 'General case' 0 N--CA 1.494 1.762 0 O-C-N 120.905 -1.122 . . . . 0.0 109.639 179.823 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 97.8 mt-10 -60.36 -38.64 84.48 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.313 -0.867 . . . . 0.0 109.125 178.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 54.8 t80 -60.03 -39.29 85.37 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.287 -0.883 . . . . 0.0 108.833 179.492 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 96.2 mmm -60.96 -39.43 89.52 Favored 'General case' 0 N--CA 1.496 1.837 0 O-C-N 120.542 -1.349 . . . . 0.0 108.842 179.796 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -60.25 -41.65 93.64 Favored 'General case' 0 N--CA 1.496 1.871 0 O-C-N 121.165 -0.959 . . . . 0.0 109.363 179.611 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 49.7 t80 -59.85 -42.38 93.49 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.235 -0.916 . . . . 0.0 109.542 -179.765 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 54.2 t -60.87 -40.13 84.23 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.621 0 O-C-N 121.294 -0.879 . . . . 0.0 109.473 179.812 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 59.6 p -66.96 -40.24 87.45 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 120.923 -1.111 . . . . 0.0 110.305 -179.826 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 57.0 ttp -60.78 -42.51 97.65 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 121.007 -1.058 . . . . 0.0 110.026 -179.133 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 54.3 t -64.89 -42.14 94.04 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.519 0 O-C-N 121.023 -1.048 . . . . 0.0 110.094 -179.507 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 41.3 m -66.8 -40.42 88.08 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.734 -0.604 . . . . 0.0 109.915 -179.408 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 17.1 p -63.7 -39.59 94.68 Favored 'General case' 0 C--N 1.304 -1.4 0 O-C-N 121.036 -1.04 . . . . 0.0 109.247 -179.844 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -67.35 -19.17 65.4 Favored 'General case' 0 N--CA 1.49 1.542 0 N-CA-C 108.789 -0.819 . . . . 0.0 108.789 179.852 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' CYS . . . . . 0.453 ' SG ' ' CD1' ' A' ' 88' ' ' PHE . 6.3 t -56.87 -171.33 0.01 OUTLIER 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.629 -0.669 . . . . 0.0 109.413 179.652 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' HIS . . . . . 0.494 ' CD2' ' O ' ' A' ' 87' ' ' PHE . 8.9 p-80 -134.11 175.91 9.06 Favored 'General case' 0 N--CA 1.502 2.148 0 O-C-N 121.276 -0.89 . . . . 0.0 110.168 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -53.64 -67.86 0.22 Allowed 'General case' 0 N--CA 1.497 1.888 0 O-C-N 121.678 -0.639 . . . . 0.0 111.785 -178.348 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' PHE . . . . . 0.494 ' O ' ' CD2' ' A' ' 85' ' ' HIS . 72.2 m-85 -88.39 114.29 24.86 Favored 'General case' 0 N--CA 1.502 2.148 0 O-C-N 120.934 -1.104 . . . . 0.0 110.619 -178.714 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . 0.453 ' CD1' ' SG ' ' A' ' 84' ' ' CYS . 15.9 t80 -95.07 -79.56 0.43 Allowed 'General case' 0 N--CA 1.5 2.054 0 O-C-N 121.304 -0.872 . . . . 0.0 110.267 179.27 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 67.3 mm-40 -119.15 -27.44 5.68 Favored 'General case' 0 N--CA 1.503 2.191 0 O-C-N 121.301 -0.874 . . . . 0.0 109.747 -179.799 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 90' ' ' HIS . . . . . 0.583 ' CD2' ' H ' ' A' ' 90' ' ' HIS . 0.0 OUTLIER -69.06 152.28 45.4 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.19 -0.944 . . . . 0.0 109.07 -179.736 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 65.6 mm-40 . . . . . 0 N--CA 1.492 1.673 0 CA-C-O 117.966 -1.016 . . . . 0.0 109.483 -179.324 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' B' B ' 0' ' ' MET . . . . . . . . . . . . . 12.3 mmt . . . . . 0 N--CA 1.488 1.465 0 N-CA-C 109.123 -0.695 . . . . 0.0 109.123 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 36.5 t -146.12 149.83 34.75 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.229 -0.92 . . . . 0.0 109.621 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 42.1 mt-10 -69.67 -27.88 65.4 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.611 -0.681 . . . . 0.0 109.916 179.753 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 61.0 tp -59.67 -49.77 76.47 Favored 'General case' 0 N--CA 1.502 2.139 0 O-C-N 121.274 -0.891 . . . . 0.0 109.357 -179.792 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 52.7 tp10 -62.76 -40.31 96.89 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.11 -0.994 . . . . 0.0 109.459 179.457 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 2.3 tpmt? -60.69 -44.71 96.2 Favored 'General case' 0 N--CA 1.496 1.859 0 O-C-N 121.464 -0.772 . . . . 0.0 109.133 179.623 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -59.86 -38.39 82.0 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.223 -0.923 . . . . 0.0 109.067 179.353 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 7' ' ' MET . . . . . . . . . . . . . 54.5 ttm -61.07 -46.16 91.8 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.105 -0.997 . . . . 0.0 109.972 179.645 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 70.4 t -64.09 -44.21 97.64 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.976 0 O-C-N 121.285 -0.884 . . . . 0.0 109.933 -179.588 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.99 -41.05 95.7 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 121.555 -0.716 . . . . 0.0 109.979 -179.916 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 63.3 tp -60.05 -44.91 94.35 Favored 'General case' 0 N--CA 1.485 1.307 0 O-C-N 120.917 -1.114 . . . . 0.0 109.476 -179.734 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 96.2 mt -65.88 -41.22 89.57 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.562 0 O-C-N 120.806 -1.184 . . . . 0.0 110.263 -179.687 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 19.2 t0 -60.22 -43.46 95.98 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.034 -1.041 . . . . 0.0 110.581 -178.544 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 61.4 t -61.34 -47.59 92.75 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.535 0 O-C-N 120.949 -1.094 . . . . 0.0 109.693 -179.569 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 14' ' ' PHE . . . . . . . . . . . . . 67.8 t80 -60.52 -49.91 75.67 Favored 'General case' 0 C--N 1.304 -1.392 0 O-C-N 121.082 -1.012 . . . . 0.0 109.204 179.922 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 15' ' ' HIS . . . . . 0.524 ' HD1' ' CD2' ' B' ' 25' ' ' HIS . 86.6 t60 -63.02 -40.93 99.22 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.181 -0.949 . . . . 0.0 110.114 179.665 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 2.7 tp-100 -62.42 -52.44 63.55 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.446 -0.784 . . . . 0.0 110.008 -178.517 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 49.6 t80 -66.05 -47.84 73.03 Favored 'General case' 0 C--N 1.303 -1.422 0 O-C-N 121.095 -1.003 . . . . 0.0 109.565 -179.788 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 18' ' ' SER . . . . . 0.434 ' HG ' ' N ' ' B' ' 19' ' ' GLY . 95.6 p -68.05 -39.94 82.94 Favored 'General case' 0 N--CA 1.487 1.397 0 O-C-N 121.313 -0.867 . . . . 0.0 110.067 -179.451 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 19' ' ' GLY . . . . . 0.445 ' N ' ' O ' ' B' ' 15' ' ' HIS . . . -65.5 -47.79 74.79 Favored Glycine 0 N--CA 1.486 2.032 0 C-N-CA 119.82 -1.181 . . . . 0.0 111.038 -178.681 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -61.26 -41.8 97.53 Favored 'General case' 0 N--CA 1.494 1.762 0 O-C-N 121.0 -1.294 . . . . 0.0 110.158 -178.382 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 21' ' ' GLU . . . . . 0.431 ' O ' ' O ' ' B' ' 18' ' ' SER . 94.9 mt-10 -104.75 129.89 52.91 Favored 'General case' 0 N--CA 1.503 2.19 0 O-C-N 121.156 -0.965 . . . . 0.0 109.924 -179.801 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . 81.7 -15.91 22.86 Favored Glycine 0 N--CA 1.489 2.228 0 C-N-CA 120.016 -1.087 . . . . 0.0 110.709 179.225 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 88.6 m-20 51.59 49.85 20.02 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 120.973 -1.31 . . . . 0.0 110.166 179.764 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 24' ' ' LYS . . . . . 0.401 ' HG3' ' H ' ' B' ' 25' ' ' HIS . 4.7 tptm -164.69 -175.8 3.99 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 120.981 -1.074 . . . . 0.0 108.999 179.76 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 25' ' ' HIS . . . . . 0.524 ' CD2' ' HD1' ' B' ' 15' ' ' HIS . 44.5 m80 -106.02 25.76 10.54 Favored 'General case' 0 N--CA 1.5 2.063 0 O-C-N 121.253 -0.905 . . . . 0.0 111.173 -178.623 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 21.6 pttp -128.9 156.12 44.2 Favored 'General case' 0 N--CA 1.499 2.011 0 O-C-N 121.115 -0.991 . . . . 0.0 109.042 179.797 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 43.6 mt -127.58 141.08 51.73 Favored 'General case' 0 N--CA 1.502 2.161 0 O-C-N 121.64 -0.663 . . . . 0.0 110.015 -178.792 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 28' ' ' LYS . . . . . 0.531 ' CB ' ' HZ1' ' B' ' 28' ' ' LYS . 0.0 OUTLIER -96.11 178.71 5.31 Favored 'General case' 0 N--CA 1.499 1.987 0 O-C-N 121.228 -0.92 . . . . 0.0 109.742 179.898 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 11.4 ttmm -60.3 -42.5 95.66 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.344 -0.847 . . . . 0.0 111.034 -178.639 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 69.0 m -60.7 -41.87 96.06 Favored 'General case' 0 N--CA 1.496 1.827 0 O-C-N 120.789 -1.194 . . . . 0.0 109.93 -179.267 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -70.62 -40.32 73.23 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.787 -0.571 . . . . 0.0 110.889 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 32' ' ' LEU . . . . . 0.408 ' C ' ' CD1' ' B' ' 32' ' ' LEU . 2.9 tm? -60.27 -41.26 92.9 Favored 'General case' 0 N--CA 1.499 1.984 0 O-C-N 121.193 -0.942 . . . . 0.0 109.475 -179.139 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 79.4 tttt -59.41 -44.62 92.82 Favored 'General case' 0 N--CA 1.49 1.543 0 N-CA-C 108.067 -1.086 . . . . 0.0 108.067 178.495 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 34' ' ' GLU . . . . . 0.4 ' O ' ' N ' ' B' ' 38' ' ' ASN . 81.6 mm-40 -64.42 -39.75 94.44 Favored 'General case' 0 C--N 1.302 -1.477 0 O-C-N 121.173 -0.954 . . . . 0.0 110.311 -179.62 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -56.45 -48.52 76.87 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 121.354 -0.842 . . . . 0.0 110.605 -178.168 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 96.5 mt -59.36 -48.7 86.18 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.969 0 O-C-N 120.656 -1.277 . . . . 0.0 109.599 -178.708 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 88.5 m-20 -74.52 -25.87 59.62 Favored 'General case' 0 C--N 1.298 -1.671 0 O-C-N 121.057 -1.027 . . . . 0.0 110.129 179.894 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 38' ' ' ASN . . . . . 0.4 ' N ' ' O ' ' B' ' 34' ' ' GLU . 42.8 t30 -61.28 -49.64 76.24 Favored 'General case' 0 N--CA 1.495 1.812 0 O-C-N 121.135 -0.978 . . . . 0.0 111.734 -178.52 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 39.4 mt-10 -118.24 -28.96 5.67 Favored 'General case' 0 N--CA 1.502 2.149 0 O-C-N 121.325 -0.859 . . . . 0.0 111.483 -177.909 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 77.7 mt -102.14 52.06 0.82 Allowed 'General case' 0 N--CA 1.502 2.164 0 O-C-N 121.106 -0.997 . . . . 0.0 110.399 -178.276 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 41' ' ' SER . . . . . 0.451 ' O ' ' O ' ' B' ' 44' ' ' LEU . 11.9 p -94.84 -55.74 3.0 Favored 'General case' 0 N--CA 1.499 2.018 0 O-C-N 120.93 -1.106 . . . . 0.0 110.338 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 42' ' ' HIS . . . . . . . . . . . . . 84.0 t60 -59.99 -47.26 86.56 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 120.782 -1.199 . . . . 0.0 109.561 -179.3 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 27.8 m-85 -62.11 -40.08 94.7 Favored 'General case' 0 N--CA 1.495 1.777 0 O-C-N 121.211 -0.931 . . . . 0.0 110.295 -179.275 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 44' ' ' LEU . . . . . 0.451 ' O ' ' O ' ' B' ' 41' ' ' SER . 75.2 mt -113.97 124.2 51.58 Favored 'General case' 0 N--CA 1.502 2.151 0 O-C-N 121.284 -0.885 . . . . 0.0 109.638 -179.494 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 45' ' ' GLU . . . . . 0.464 ' N ' ' OE2' ' B' ' 46' ' ' GLU . 85.4 tt0 -142.82 77.66 1.58 Allowed 'General case' 0 N--CA 1.494 1.772 0 O-C-N 121.425 -0.797 . . . . 0.0 109.239 179.286 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 46' ' ' GLU . . . . . 0.508 ' N ' ' CD ' ' B' ' 46' ' ' GLU . 1.4 pm0 -160.27 8.37 0.09 Allowed 'General case' 0 N--CA 1.488 1.445 0 O-C-N 121.196 -0.94 . . . . 0.0 109.647 179.874 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 73.9 mt -94.56 114.61 31.51 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.601 0 N-CA-C 108.571 -0.9 . . . . 0.0 108.571 179.673 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 63.0 tttm -129.78 -14.53 4.03 Favored 'General case' 0 N--CA 1.501 2.082 0 N-CA-C 108.63 -0.878 . . . . 0.0 108.63 179.718 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 94.3 mt-10 -119.96 140.81 50.36 Favored 'General case' 0 N--CA 1.496 1.855 0 O-C-N 121.815 -0.553 . . . . 0.0 109.984 -179.335 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -68.5 -19.63 64.54 Favored 'General case' 0 N--CA 1.495 1.783 0 N-CA-C 108.808 -0.812 . . . . 0.0 108.808 179.625 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -60.31 -40.67 91.38 Favored 'General case' 0 C--N 1.301 -1.522 0 O-C-N 121.25 -0.906 . . . . 0.0 109.058 179.214 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 73.8 t -59.94 -41.51 86.26 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.653 0 O-C-N 121.001 -1.062 . . . . 0.0 109.504 -179.359 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 47.3 t -60.14 -44.04 94.35 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.533 0 O-C-N 121.2 -0.937 . . . . 0.0 109.843 -179.611 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 91.2 m-20 -60.86 -42.01 97.03 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.273 -0.892 . . . . 0.0 110.055 -179.6 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 38.0 ttpt -62.72 -39.98 95.76 Favored 'General case' 0 N--CA 1.497 1.889 0 O-C-N 121.267 -0.895 . . . . 0.0 109.111 179.516 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 55.7 t -63.17 -39.94 87.17 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.47 0 O-C-N 121.082 -1.011 . . . . 0.0 109.195 179.555 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 57' ' ' MET . . . . . . . . . . . . . 79.5 mmm -61.83 -40.07 93.99 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.285 -0.884 . . . . 0.0 110.621 -179.656 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 83.2 mt-10 -61.21 -39.64 91.01 Favored 'General case' 0 N--CA 1.494 1.743 0 O-C-N 121.072 -1.017 . . . . 0.0 110.619 -179.354 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 87.7 m -71.86 -45.64 60.68 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.0 -1.062 . . . . 0.0 111.671 -178.26 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 2.4 pp -79.64 -38.81 32.92 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 120.503 -1.373 . . . . 0.0 110.75 -178.282 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 53.1 t0 -80.89 97.15 7.28 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.131 -0.98 . . . . 0.0 110.541 -179.213 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 62' ' ' GLU . . . . . 0.483 ' OE1' ' N ' ' B' ' 62' ' ' GLU . 57.0 mp0 -65.61 -39.86 92.0 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.024 -1.048 . . . . 0.0 109.415 179.25 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 95.2 m-20 -65.71 -41.42 92.33 Favored 'General case' 0 N--CA 1.496 1.858 0 O-C-N 121.075 -1.016 . . . . 0.0 110.624 179.774 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 70.85 30.86 67.66 Favored Glycine 0 N--CA 1.495 2.586 0 N-CA-C 108.967 -1.653 . . . . 0.0 108.967 -178.733 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 41.6 p-10 -86.72 -3.63 59.07 Favored 'General case' 0 N--CA 1.495 1.79 0 O-C-N 121.267 -1.137 . . . . 0.0 110.798 -179.06 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 89.8 -4.01 83.29 Favored Glycine 0 N--CA 1.498 2.789 0 O-C-N 121.09 -1.006 . . . . 0.0 110.641 179.561 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 73.7 mm-40 -116.68 141.93 47.57 Favored 'General case' 0 N--CA 1.503 2.214 0 O-C-N 121.371 -1.076 . . . . 0.0 109.52 -179.506 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 68' ' ' CYS . . . . . . . . . . . . . 56.8 m -96.22 115.33 27.26 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.407 -0.808 . . . . 0.0 109.844 -179.472 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 81.0 m-20 -89.11 157.94 18.13 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.1 -1.0 . . . . 0.0 109.149 179.664 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 44.4 t80 -59.82 -44.9 93.78 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.346 -0.846 . . . . 0.0 109.716 -179.572 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 11.1 pt20 -60.81 -41.67 96.14 Favored 'General case' 0 N--CA 1.494 1.764 0 O-C-N 120.731 -1.23 . . . . 0.0 109.676 -179.805 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -60.38 -38.75 84.91 Favored 'General case' 0 C--N 1.299 -1.587 0 O-C-N 121.369 -0.832 . . . . 0.0 109.352 179.548 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 73' ' ' PHE . . . . . . . . . . . . . 58.7 t80 -60.02 -40.05 87.95 Favored 'General case' 0 C--N 1.303 -1.451 0 O-C-N 121.088 -1.008 . . . . 0.0 108.828 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 74' ' ' MET . . . . . . . . . . . . . 96.5 mmm -59.84 -40.0 87.05 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 120.721 -1.237 . . . . 0.0 109.193 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -59.93 -41.33 91.54 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.163 -0.96 . . . . 0.0 109.603 179.742 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 50.1 t80 -60.04 -42.68 94.95 Favored 'General case' 0 N--CA 1.487 1.406 0 O-C-N 121.321 -0.862 . . . . 0.0 109.315 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 77' ' ' VAL . . . . . . . . . . . . . 57.2 t -60.97 -39.52 82.41 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.667 0 O-C-N 121.24 -0.912 . . . . 0.0 109.409 179.676 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 78' ' ' SER . . . . . . . . . . . . . 79.9 p -67.23 -40.23 86.32 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 120.914 -1.116 . . . . 0.0 110.032 179.92 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 79' ' ' MET . . . . . . . . . . . . . 56.6 ttp -60.91 -41.9 97.01 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 121.257 -0.902 . . . . 0.0 110.398 -179.274 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 54.0 t -65.72 -42.83 93.38 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.552 0 O-C-N 121.14 -0.975 . . . . 0.0 109.753 -179.315 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 30.4 m -65.79 -40.13 91.66 Favored 'General case' 0 N--CA 1.499 1.987 0 O-C-N 121.272 -0.892 . . . . 0.0 109.975 179.911 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 18.1 p -63.79 -39.77 95.04 Favored 'General case' 0 N--CA 1.487 1.401 0 O-C-N 121.029 -1.044 . . . . 0.0 109.155 -179.812 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -67.49 -17.81 64.82 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.528 -0.733 . . . . 0.0 109.101 179.52 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 84' ' ' CYS . . . . . 0.449 ' SG ' ' CD1' ' B' ' 88' ' ' PHE . 5.9 t -58.81 -171.61 0.01 OUTLIER 'General case' 0 C--N 1.3 -1.547 0 O-C-N 121.532 -0.73 . . . . 0.0 109.173 179.75 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 85' ' ' HIS . . . . . 0.537 ' CD2' ' O ' ' B' ' 87' ' ' PHE . 10.8 p-80 -134.26 173.94 11.06 Favored 'General case' 0 N--CA 1.502 2.137 0 O-C-N 121.412 -0.805 . . . . 0.0 110.229 -179.948 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -51.34 -68.67 0.15 Allowed 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.582 -0.699 . . . . 0.0 111.877 -177.908 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 87' ' ' PHE . . . . . 0.537 ' O ' ' CD2' ' B' ' 85' ' ' HIS . 69.0 m-85 -87.25 116.36 25.28 Favored 'General case' 0 N--CA 1.504 2.231 0 O-C-N 120.664 -1.272 . . . . 0.0 110.864 -178.513 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 88' ' ' PHE . . . . . 0.449 ' CD1' ' SG ' ' B' ' 84' ' ' CYS . 17.0 t80 -97.07 -79.8 0.45 Allowed 'General case' 0 N--CA 1.503 2.205 0 O-C-N 121.036 -1.04 . . . . 0.0 110.418 179.519 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 69.9 mm-40 -117.92 -28.37 5.93 Favored 'General case' 0 N--CA 1.5 2.058 0 O-C-N 121.461 -0.774 . . . . 0.0 109.415 -179.933 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 90' ' ' HIS . . . . . 0.565 ' CD2' ' H ' ' B' ' 90' ' ' HIS . 0.0 OUTLIER -69.55 151.04 46.46 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.337 -0.852 . . . . 0.0 109.38 -179.151 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 65.6 mm-40 . . . . . 0 N--CA 1.493 1.688 0 CA-C-O 118.084 -0.96 . . . . 0.0 109.578 -179.157 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 92' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 93' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' B' B ' 92' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' B' B ' 93' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 0' ' ' MET . . . . . 0.496 ' SD ' ' O ' ' A' ' 0' ' ' MET . 2.5 tmm? . . . . . 0 N--CA 1.491 1.585 0 CA-C-O 121.25 0.548 . . . . 0.0 109.679 . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 17.9 m -148.0 113.4 5.61 Favored 'General case' 0 N--CA 1.497 1.916 0 O-C-N 120.995 -1.066 . . . . 0.0 109.408 179.53 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 54.7 tp10 -60.77 -42.45 97.52 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.291 -0.881 . . . . 0.0 109.665 -179.869 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -60.48 -42.61 96.64 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.096 -1.002 . . . . 0.0 109.303 -179.369 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 49.2 tp10 -61.26 -42.89 99.41 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.217 -0.927 . . . . 0.0 110.589 -179.238 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 61.6 tttm -60.04 -44.33 94.74 Favored 'General case' 0 N--CA 1.494 1.756 0 O-C-N 121.1 -1.0 . . . . 0.0 110.374 -178.86 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -59.99 -45.21 93.47 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.188 -0.945 . . . . 0.0 109.649 -179.362 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 57.7 tpp -60.09 -46.16 90.5 Favored 'General case' 0 C--N 1.302 -1.487 0 O-C-N 121.404 -0.81 . . . . 0.0 109.591 -179.723 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 84.5 t -69.97 -41.49 79.41 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.518 0 O-C-N 121.253 -0.904 . . . . 0.0 110.541 -178.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.05 -40.88 90.95 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.028 -1.045 . . . . 0.0 109.622 -179.524 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -60.1 -50.92 71.81 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.278 -0.889 . . . . 0.0 109.286 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 96.6 mt -69.37 -40.73 80.4 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.651 0 O-C-N 121.119 -0.988 . . . . 0.0 109.754 -179.798 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . 0.468 ' O ' ' OE1' ' A' ' 16' ' ' GLN . 8.8 t0 -60.86 -49.8 76.02 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.307 -0.871 . . . . 0.0 110.25 -179.436 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 65.0 t -63.29 -41.84 94.24 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.574 0 O-C-N 120.792 -1.193 . . . . 0.0 109.708 -179.311 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 65.8 t80 -61.43 -48.12 82.65 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.286 -0.884 . . . . 0.0 110.946 -179.798 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 52.6 t-80 -70.68 -48.39 55.03 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.002 -1.061 . . . . 0.0 110.849 -178.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . 0.494 ' N ' ' OE1' ' A' ' 16' ' ' GLN . 9.2 mp0 -67.78 -42.95 80.87 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.036 -1.04 . . . . 0.0 110.96 -178.799 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . 0.563 ' CZ ' ' OD1' ' A' ' 38' ' ' ASN . 38.1 t80 -70.12 -41.53 73.82 Favored 'General case' 0 N--CA 1.494 1.736 0 O-C-N 120.569 -1.332 . . . . 0.0 110.739 -178.861 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 84.9 p -62.42 -39.96 95.01 Favored 'General case' 0 N--CA 1.494 1.748 0 O-C-N 121.166 -0.959 . . . . 0.0 111.056 -178.438 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -80.14 -9.98 86.01 Favored Glycine 0 N--CA 1.493 2.437 0 N-CA-C 109.575 -1.41 . . . . 0.0 109.575 -179.379 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 15.3 tpt180 -60.28 -39.94 88.68 Favored 'General case' 0 C--N 1.301 -1.533 0 O-C-N 121.434 -1.039 . . . . 0.0 109.927 -179.719 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 18.1 tt0 -97.17 1.08 49.42 Favored 'General case' 0 N--CA 1.494 1.763 0 O-C-N 121.325 -0.86 . . . . 0.0 110.115 -178.518 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 82.25 16.34 71.98 Favored Glycine 0 N--CA 1.492 2.426 0 N-CA-C 109.085 -1.606 . . . . 0.0 109.085 -179.7 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 94.8 m-20 -69.98 -16.96 63.27 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.354 -1.086 . . . . 0.0 109.371 179.878 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . 0.635 ' O ' ' CG ' ' A' ' 25' ' ' HIS . 43.5 mtmt 57.65 62.5 2.1 Favored 'General case' 0 N--CA 1.498 1.954 0 O-C-N 121.796 -0.565 . . . . 0.0 111.163 179.353 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . 0.635 ' CG ' ' O ' ' A' ' 24' ' ' LYS . 16.7 p80 49.74 44.6 24.85 Favored 'General case' 0 N--CA 1.5 2.043 0 O-C-N 121.983 -0.448 . . . . 0.0 111.926 178.635 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 54.4 mtmt -140.37 129.38 23.43 Favored 'General case' 0 N--CA 1.503 2.223 0 O-C-N 121.092 -1.005 . . . . 0.0 108.863 177.907 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 10.6 mp -101.77 119.62 39.08 Favored 'General case' 0 N--CA 1.502 2.172 0 O-C-N 121.039 -1.038 . . . . 0.0 109.973 -179.306 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 2.1 tppt? -114.78 178.98 4.08 Favored 'General case' 0 N--CA 1.501 2.098 0 N-CA-C 108.623 -0.88 . . . . 0.0 108.623 179.468 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 26.6 tptp -59.94 -40.84 90.32 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 120.978 -1.076 . . . . 0.0 109.91 179.699 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 87.1 p -62.24 -45.48 93.13 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 120.974 -1.079 . . . . 0.0 109.918 -179.69 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 83.1 tt0 -69.64 -39.94 76.82 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.37 -0.831 . . . . 0.0 110.691 -179.315 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 8.7 tt -60.11 -49.19 78.63 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.207 -0.933 . . . . 0.0 110.592 -177.951 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 58.0 tttm -59.93 -43.06 95.18 Favored 'General case' 0 C--N 1.302 -1.496 0 O-C-N 121.052 -1.03 . . . . 0.0 109.037 -178.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . 0.457 ' O ' ' ND2' ' A' ' 38' ' ' ASN . 80.4 mm-40 -70.0 -34.06 72.83 Favored 'General case' 0 C--N 1.302 -1.49 0 O-C-N 121.349 -0.844 . . . . 0.0 109.406 179.173 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 19.2 tp -60.03 -42.98 95.57 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.534 -0.729 . . . . 0.0 110.112 -178.455 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.413 HG22 HD11 ' A' ' 36' ' ' ILE . 95.7 mt -64.31 -39.93 87.26 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.65 0 O-C-N 121.064 -1.023 . . . . 0.0 110.187 -179.518 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . 0.45 ' O ' ' O ' ' A' ' 38' ' ' ASN . 3.0 m120 -69.12 -19.91 64.05 Favored 'General case' 0 N--CA 1.496 1.86 0 O-C-N 121.073 -1.017 . . . . 0.0 110.473 -179.317 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . 0.563 ' OD1' ' CZ ' ' A' ' 17' ' ' TYR . 4.4 m120 -45.75 -99.17 0.0 OUTLIER 'General case' 0 N--CA 1.494 1.76 0 O-C-N 121.209 -0.932 . . . . 0.0 111.015 -178.905 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 64.3 mm-40 -111.3 -3.28 15.38 Favored 'General case' 0 N--CA 1.496 1.865 0 O-C-N 121.514 -0.741 . . . . 0.0 109.721 -178.866 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 10.7 mp -93.14 121.24 34.3 Favored 'General case' 0 N--CA 1.496 1.829 0 O-C-N 121.211 -0.931 . . . . 0.0 109.445 -179.732 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 2.9 t -153.3 -53.88 0.11 Allowed 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.329 -0.857 . . . . 0.0 109.19 179.554 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 94.6 m-70 -69.31 -40.14 77.85 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.608 -0.682 . . . . 0.0 110.726 -179.235 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . 0.478 ' CZ ' ' SG ' ' A' ' 84' ' ' CYS . 3.2 t80 -72.18 -43.72 64.12 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.097 -1.002 . . . . 0.0 110.467 -178.168 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -90.31 -77.7 0.39 Allowed 'General case' 0 N--CA 1.499 1.999 0 O-C-N 120.919 -1.113 . . . . 0.0 110.072 -179.693 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . 0.441 ' O ' ' C ' ' A' ' 46' ' ' GLU . 27.8 tt0 62.79 -124.85 0.64 Allowed 'General case' 0 N--CA 1.49 1.573 0 N-CA-C 108.196 -1.038 . . . . 0.0 108.196 -178.347 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . 0.441 ' C ' ' O ' ' A' ' 45' ' ' GLU . 9.2 pt-20 36.48 -149.32 0.01 OUTLIER 'General case' 0 N--CA 1.502 2.17 0 O-C-N 121.546 -0.721 . . . . 0.0 110.959 179.332 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 41.0 mt 56.38 83.32 0.06 OUTLIER 'Isoleucine or valine' 0 N--CA 1.494 1.753 0 O-C-N 121.222 -0.924 . . . . 0.0 109.066 -179.865 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 25.8 mttm -92.65 -13.27 29.75 Favored 'General case' 0 N--CA 1.494 1.77 0 O-C-N 121.268 -0.895 . . . . 0.0 109.721 -179.216 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -141.32 156.51 45.84 Favored 'General case' 0 N--CA 1.498 1.973 0 O-C-N 121.133 -0.979 . . . . 0.0 109.936 -179.819 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . 0.531 ' OE1' ' N ' ' A' ' 50' ' ' GLN . 5.0 mp0 -69.92 -28.9 65.98 Favored 'General case' 0 N--CA 1.492 1.675 0 O-C-N 121.351 -0.843 . . . . 0.0 109.719 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 53.9 tp10 -59.93 -36.41 76.98 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.188 -0.945 . . . . 0.0 109.538 -178.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 87.5 t -60.05 -40.16 82.41 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.637 0 O-C-N 120.85 -1.156 . . . . 0.0 109.034 -179.809 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 89.8 t -61.51 -41.34 89.72 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.614 0 O-C-N 120.909 -1.119 . . . . 0.0 108.977 179.751 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 99.4 m-20 -61.12 -40.08 92.41 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.186 -0.946 . . . . 0.0 109.591 179.821 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -63.78 -40.01 95.64 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.29 -0.881 . . . . 0.0 108.971 179.807 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 55.8 t -60.05 -42.68 90.61 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.398 0 O-C-N 121.244 -0.91 . . . . 0.0 108.993 179.669 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 77.3 mmm -61.62 -45.68 93.04 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.227 -0.921 . . . . 0.0 109.88 179.114 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 46.0 mt-10 -69.99 -40.98 74.99 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.194 -0.941 . . . . 0.0 110.376 -179.69 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 94.6 m -70.26 -44.68 67.96 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.153 -0.967 . . . . 0.0 109.988 -179.675 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 51.4 tp -60.1 -50.06 75.18 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.088 -1.007 . . . . 0.0 109.646 -179.721 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . 0.428 ' OD1' ' OE1' ' A' ' 72' ' ' GLU . 96.8 m-20 -82.72 109.89 17.29 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.186 -0.946 . . . . 0.0 110.009 -179.72 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . 0.452 ' CD ' ' N ' ' A' ' 62' ' ' GLU . 5.4 mp0 -61.62 -39.99 93.25 Favored 'General case' 0 C--N 1.302 -1.468 0 O-C-N 121.473 -0.767 . . . . 0.0 109.093 179.012 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 35.3 p-10 -76.84 -10.01 59.08 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.326 -0.859 . . . . 0.0 109.059 179.857 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 54.11 50.82 53.95 Favored Glycine 0 N--CA 1.491 2.348 0 N-CA-C 110.37 -1.092 . . . . 0.0 110.37 179.104 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . 0.433 ' O ' ' OE1' ' A' ' 67' ' ' GLU . 35.4 p-10 -79.65 -12.76 59.81 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.091 -1.24 . . . . 0.0 109.784 -179.862 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 83.51 4.9 88.98 Favored Glycine 0 N--CA 1.494 2.528 0 C-N-CA 120.086 -1.054 . . . . 0.0 110.47 179.149 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . 0.433 ' OE1' ' O ' ' A' ' 65' ' ' ASP . 24.5 mp0 -138.15 153.13 49.23 Favored 'General case' 0 N--CA 1.499 1.99 0 O-C-N 121.092 -1.24 . . . . 0.0 109.205 179.558 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -118.17 122.68 43.65 Favored 'General case' 0 N--CA 1.5 2.031 0 O-C-N 121.479 -0.763 . . . . 0.0 109.72 -179.712 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 94.3 m-20 -90.03 177.91 6.34 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.526 -0.734 . . . . 0.0 109.23 179.358 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 56.7 t80 -59.99 -48.14 82.95 Favored 'General case' 0 C--N 1.302 -1.497 0 O-C-N 121.581 -0.699 . . . . 0.0 109.843 179.901 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 26.6 mm100 -59.94 -40.39 88.79 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.024 -1.047 . . . . 0.0 109.596 -179.88 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . 0.428 ' OE1' ' OD1' ' A' ' 61' ' ' ASP . 44.0 mt-10 -68.71 -39.92 80.24 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.136 -0.977 . . . . 0.0 109.057 179.233 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 93.9 t80 -59.94 -41.36 91.64 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.405 -0.81 . . . . 0.0 109.633 -179.886 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 94.2 mmm -60.09 -39.99 88.03 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.252 -0.905 . . . . 0.0 109.433 179.63 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -59.96 -40.01 87.61 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.279 -0.888 . . . . 0.0 110.144 -179.396 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 70.2 t80 -60.11 -40.54 90.05 Favored 'General case' 0 C--N 1.301 -1.541 0 O-C-N 121.192 -0.943 . . . . 0.0 110.891 -179.434 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 53.8 t -61.17 -41.01 87.8 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.723 0 O-C-N 120.871 -1.143 . . . . 0.0 109.555 -179.644 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 76.7 p -67.45 -40.01 85.4 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.182 -0.948 . . . . 0.0 110.293 -179.819 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 98.2 mtp -59.97 -43.98 94.73 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.042 -1.036 . . . . 0.0 109.977 -179.229 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 79.3 t -70.03 -40.15 78.16 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.484 0 O-C-N 121.115 -0.991 . . . . 0.0 109.558 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 86.4 m -61.0 -40.56 93.98 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 121.304 -0.873 . . . . 0.0 109.945 -179.403 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 90.0 m -60.44 -42.15 95.52 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.093 -1.004 . . . . 0.0 110.336 -178.412 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -62.56 -42.22 99.4 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 120.906 -1.121 . . . . 0.0 109.084 179.835 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' CYS . . . . . 0.478 ' SG ' ' CZ ' ' A' ' 43' ' ' PHE . 14.7 m -80.34 133.06 35.89 Favored 'General case' 0 N--CA 1.488 1.462 0 O-C-N 121.438 -0.789 . . . . 0.0 109.001 179.662 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' HIS . . . . . 0.486 ' O ' ' CB ' ' A' ' 86' ' ' GLU . 54.0 p-80 -158.54 -166.23 1.85 Allowed 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.206 -0.934 . . . . 0.0 109.861 -179.543 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . 0.49 ' C ' ' CG ' ' A' ' 87' ' ' PHE . 1.3 tm-20 79.04 20.3 0.73 Allowed 'General case' 0 N--CA 1.495 1.803 0 N-CA-C 109.043 -0.725 . . . . 0.0 109.043 -179.6 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' PHE . . . . . 0.493 ' N ' ' CD1' ' A' ' 87' ' ' PHE . 0.1 OUTLIER 40.29 89.93 0.01 OUTLIER 'General case' 0 N--CA 1.499 1.978 0 O-C-N 121.595 -0.691 . . . . 0.0 109.189 -179.942 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 37.1 t80 -53.47 120.85 6.62 Favored 'General case' 0 C--N 1.301 -1.523 0 O-C-N 121.384 -0.823 . . . . 0.0 109.746 -178.596 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . 0.515 ' H ' ' CD ' ' A' ' 89' ' ' GLU . 3.8 pm0 -95.06 171.67 8.61 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.365 -0.834 . . . . 0.0 109.266 179.35 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 90' ' ' HIS . . . . . 0.677 ' HD1' ' H ' ' A' ' 91' ' ' GLU . 1.0 OUTLIER -58.6 139.84 55.26 Favored 'General case' 0 C--N 1.299 -1.591 0 O-C-N 121.37 -0.831 . . . . 0.0 109.658 -179.858 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . 0.677 ' H ' ' HD1' ' A' ' 90' ' ' HIS . 88.5 tt0 . . . . . 0 N--CA 1.492 1.654 0 CA-C-O 117.971 -1.014 . . . . 0.0 109.31 -179.574 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 0' ' ' MET . . . . . 0.504 ' O ' ' SD ' ' B' ' 0' ' ' MET . 2.3 tmm? . . . . . 0 N--CA 1.492 1.667 0 N-CA-C 109.284 -0.636 . . . . 0.0 109.284 . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 14.6 m -148.45 112.93 5.31 Favored 'General case' 0 N--CA 1.495 1.823 0 O-C-N 121.138 -0.976 . . . . 0.0 109.362 179.842 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 54.6 tp10 -60.8 -42.21 97.16 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.266 -0.896 . . . . 0.0 109.673 -179.849 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -60.67 -42.55 97.3 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.173 -0.954 . . . . 0.0 109.33 -179.175 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 49.4 tp10 -61.41 -42.7 99.16 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.184 -0.948 . . . . 0.0 110.639 -179.327 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 62.6 tttm -60.03 -44.65 94.47 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.005 -1.059 . . . . 0.0 110.409 -178.929 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -60.1 -45.18 93.82 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.193 -0.942 . . . . 0.0 109.689 -179.351 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 7' ' ' MET . . . . . . . . . . . . . 56.0 tpp -59.94 -45.78 91.53 Favored 'General case' 0 C--N 1.301 -1.526 0 O-C-N 121.394 -0.816 . . . . 0.0 109.599 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 79.3 t -70.0 -41.91 79.44 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.554 0 O-C-N 121.293 -0.879 . . . . 0.0 110.468 -179.003 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.32 -40.6 91.17 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 120.907 -1.121 . . . . 0.0 109.685 -179.471 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -60.25 -51.23 70.43 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.191 -0.943 . . . . 0.0 109.052 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 96.6 mt -68.78 -41.04 82.18 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.592 0 O-C-N 121.073 -1.017 . . . . 0.0 109.81 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 12' ' ' ASP . . . . . 0.466 ' O ' ' OE1' ' B' ' 16' ' ' GLN . 8.7 t0 -60.95 -49.29 78.07 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.19 -0.944 . . . . 0.0 110.342 -179.287 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 76.6 t -63.72 -42.02 94.57 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.635 0 O-C-N 120.813 -1.18 . . . . 0.0 109.695 -179.318 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 14' ' ' PHE . . . . . . . . . . . . . 64.9 t80 -60.89 -48.5 81.52 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.368 -0.832 . . . . 0.0 110.93 -179.875 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 53.3 t-80 -70.53 -48.58 54.79 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 120.917 -1.114 . . . . 0.0 110.781 -178.924 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 16' ' ' GLN . . . . . 0.499 ' OE1' ' N ' ' B' ' 16' ' ' GLN . 9.2 mp0 -67.29 -42.85 83.06 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 120.975 -1.078 . . . . 0.0 111.008 -178.942 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 17' ' ' TYR . . . . . 0.561 ' CZ ' ' OD1' ' B' ' 38' ' ' ASN . 40.2 t80 -70.46 -41.45 72.75 Favored 'General case' 0 N--CA 1.496 1.836 0 O-C-N 120.598 -1.314 . . . . 0.0 110.779 -178.879 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 83.1 p -62.24 -40.03 94.8 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.159 -0.963 . . . . 0.0 111.107 -178.583 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -80.21 -10.1 85.84 Favored Glycine 0 N--CA 1.493 2.471 0 N-CA-C 109.693 -1.363 . . . . 0.0 109.693 -179.413 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 14.9 tpt180 -59.96 -40.11 87.89 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.429 -1.042 . . . . 0.0 109.84 -179.722 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 14.0 tt0 -96.77 0.29 49.21 Favored 'General case' 0 N--CA 1.495 1.775 0 O-C-N 121.476 -0.765 . . . . 0.0 110.058 -178.55 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . 82.28 16.79 70.71 Favored Glycine 0 N--CA 1.492 2.425 0 N-CA-C 109.185 -1.566 . . . . 0.0 109.185 -179.459 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 94.9 m-20 -69.99 -16.75 63.23 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.523 -0.986 . . . . 0.0 109.226 179.726 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 24' ' ' LYS . . . . . 0.635 ' O ' ' CG ' ' B' ' 25' ' ' HIS . 42.1 mtmt 57.48 62.33 2.19 Favored 'General case' 0 N--CA 1.497 1.882 0 O-C-N 121.775 -0.578 . . . . 0.0 111.096 179.352 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 25' ' ' HIS . . . . . 0.635 ' CG ' ' O ' ' B' ' 24' ' ' LYS . 17.0 p80 49.61 45.05 24.55 Favored 'General case' 0 N--CA 1.5 2.061 0 CA-C-O 121.082 0.468 . . . . 0.0 111.983 178.678 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 54.7 mtmt -140.44 129.68 23.72 Favored 'General case' 0 N--CA 1.502 2.161 0 O-C-N 121.157 -0.964 . . . . 0.0 108.739 177.729 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 10.8 mp -101.86 119.5 38.89 Favored 'General case' 0 N--CA 1.501 2.087 0 O-C-N 121.057 -1.027 . . . . 0.0 109.924 -179.571 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 28' ' ' LYS . . . . . 0.403 ' HG3' ' H ' ' B' ' 29' ' ' LYS . 2.4 tppt? -115.04 179.06 4.06 Favored 'General case' 0 N--CA 1.5 2.073 0 N-CA-C 108.554 -0.906 . . . . 0.0 108.554 179.546 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . 0.403 ' H ' ' HG3' ' B' ' 28' ' ' LYS . 26.9 tptp -60.0 -40.48 89.34 Favored 'General case' 0 N--CA 1.495 1.814 0 O-C-N 120.846 -1.159 . . . . 0.0 109.952 179.776 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 81.1 p -62.24 -45.98 90.92 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.125 -0.984 . . . . 0.0 109.988 -179.631 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 84.2 tt0 -69.8 -39.98 76.24 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.367 -0.833 . . . . 0.0 110.731 -179.16 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 9.1 tt -60.04 -48.84 80.03 Favored 'General case' 0 N--CA 1.495 1.82 0 O-C-N 121.115 -0.99 . . . . 0.0 110.533 -178.087 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 53.4 tttm -59.92 -43.4 94.93 Favored 'General case' 0 C--N 1.301 -1.529 0 O-C-N 120.984 -1.073 . . . . 0.0 108.986 -179.13 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 34' ' ' GLU . . . . . 0.466 ' O ' ' ND2' ' B' ' 38' ' ' ASN . 80.8 mm-40 -69.92 -34.51 73.56 Favored 'General case' 0 C--N 1.301 -1.528 0 O-C-N 121.454 -0.779 . . . . 0.0 109.394 179.213 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 16.4 tp -59.97 -42.29 93.79 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.512 -0.742 . . . . 0.0 109.988 -178.496 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 96.8 mt -64.56 -40.04 87.67 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.689 0 O-C-N 120.998 -1.064 . . . . 0.0 110.206 -179.606 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 37' ' ' ASN . . . . . 0.461 ' O ' ' O ' ' B' ' 38' ' ' ASN . 3.1 m120 -68.86 -19.93 64.26 Favored 'General case' 0 N--CA 1.495 1.778 0 O-C-N 121.008 -1.058 . . . . 0.0 110.659 -179.289 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 38' ' ' ASN . . . . . 0.561 ' OD1' ' CZ ' ' B' ' 17' ' ' TYR . 4.1 m120 -45.37 -99.57 0.0 OUTLIER 'General case' 0 N--CA 1.494 1.763 0 O-C-N 121.252 -0.905 . . . . 0.0 110.979 -178.854 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 62.2 mm-40 -111.21 -2.94 15.57 Favored 'General case' 0 N--CA 1.495 1.79 0 O-C-N 121.495 -0.753 . . . . 0.0 109.704 -179.028 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 10.5 mp -93.25 121.81 35.0 Favored 'General case' 0 N--CA 1.496 1.868 0 O-C-N 121.148 -0.97 . . . . 0.0 109.41 -179.902 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 3.2 t -153.79 -53.74 0.1 Allowed 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.404 -0.81 . . . . 0.0 109.21 179.637 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 42' ' ' HIS . . . . . . . . . . . . . 93.0 m-70 -69.66 -40.13 76.63 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.568 -0.708 . . . . 0.0 110.55 -179.257 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 43' ' ' PHE . . . . . 0.477 ' CZ ' ' SG ' ' B' ' 84' ' ' CYS . 3.0 t80 -71.7 -43.74 65.41 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.199 -0.938 . . . . 0.0 110.594 -178.165 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -90.84 -77.74 0.4 Allowed 'General case' 0 N--CA 1.499 1.99 0 O-C-N 120.972 -1.08 . . . . 0.0 110.084 -179.574 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 45' ' ' GLU . . . . . 0.438 ' O ' ' C ' ' B' ' 46' ' ' GLU . 28.3 tt0 63.19 -124.4 0.59 Allowed 'General case' 0 N--CA 1.491 1.589 0 N-CA-C 108.186 -1.042 . . . . 0.0 108.186 -178.41 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 46' ' ' GLU . . . . . 0.438 ' C ' ' O ' ' B' ' 45' ' ' GLU . 9.0 pt-20 36.01 -148.71 0.01 OUTLIER 'General case' 0 N--CA 1.502 2.174 0 O-C-N 121.578 -0.701 . . . . 0.0 111.007 179.466 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 46.1 mt 55.91 83.8 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.495 1.787 0 O-C-N 121.224 -0.923 . . . . 0.0 108.924 -179.72 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 26.9 mttm -93.04 -13.37 28.73 Favored 'General case' 0 N--CA 1.494 1.765 0 O-C-N 121.261 -0.9 . . . . 0.0 109.574 -179.295 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -141.24 156.23 45.92 Favored 'General case' 0 N--CA 1.499 2.011 0 O-C-N 121.155 -0.966 . . . . 0.0 109.978 -179.78 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 50' ' ' GLN . . . . . 0.54 ' N ' ' OE1' ' B' ' 50' ' ' GLN . 5.1 mp0 -69.96 -28.54 65.63 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.382 -0.824 . . . . 0.0 109.816 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 53.7 tp10 -59.98 -36.42 77.12 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.098 -1.002 . . . . 0.0 109.362 -179.07 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 83.1 t -59.95 -40.14 82.15 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.69 0 O-C-N 120.908 -1.12 . . . . 0.0 109.197 -179.765 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 72.0 t -61.59 -41.31 89.76 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.632 0 O-C-N 120.889 -1.132 . . . . 0.0 108.903 179.595 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 99.4 m-20 -60.85 -40.01 91.28 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.278 -0.889 . . . . 0.0 109.721 179.792 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -63.9 -40.01 95.51 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.276 -0.89 . . . . 0.0 108.968 179.634 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 55.3 t -60.03 -43.31 92.35 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.416 0 O-C-N 121.303 -0.873 . . . . 0.0 108.903 179.91 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 57' ' ' MET . . . . . . . . . . . . . 74.3 mmm -61.13 -45.63 93.87 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.239 -0.913 . . . . 0.0 109.908 179.071 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -69.75 -41.24 75.5 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.218 -0.926 . . . . 0.0 110.45 -179.65 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 94.1 m -70.14 -45.26 67.17 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.202 -0.936 . . . . 0.0 110.183 -179.785 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 54.1 tp -59.98 -49.99 75.51 Favored 'General case' 0 N--CA 1.488 1.46 0 O-C-N 121.109 -0.995 . . . . 0.0 109.652 -179.67 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 61' ' ' ASP . . . . . 0.419 ' OD1' ' OE1' ' B' ' 72' ' ' GLU . 97.0 m-20 -82.33 109.8 16.91 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.082 -1.011 . . . . 0.0 110.076 -179.854 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 62' ' ' GLU . . . . . 0.453 ' N ' ' CD ' ' B' ' 62' ' ' GLU . 5.6 mp0 -62.18 -39.95 94.41 Favored 'General case' 0 N--CA 1.487 1.413 0 O-C-N 121.449 -0.782 . . . . 0.0 109.068 179.047 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 35.1 p-10 -76.8 -10.02 59.08 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.345 -0.847 . . . . 0.0 109.024 179.811 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 53.99 51.35 50.42 Favored Glycine 0 N--CA 1.492 2.378 0 N-CA-C 110.355 -1.098 . . . . 0.0 110.355 178.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 65' ' ' ASP . . . . . 0.44 ' O ' ' OE1' ' B' ' 67' ' ' GLU . 37.0 p-10 -80.0 -12.24 59.72 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 120.95 -1.323 . . . . 0.0 109.93 -179.94 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 83.44 4.85 89.11 Favored Glycine 0 N--CA 1.494 2.56 0 C-N-CA 120.08 -1.057 . . . . 0.0 110.474 179.351 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 67' ' ' GLU . . . . . 0.44 ' OE1' ' O ' ' B' ' 65' ' ' ASP . 24.4 mp0 -138.19 153.6 49.16 Favored 'General case' 0 N--CA 1.5 2.072 0 O-C-N 121.113 -1.227 . . . . 0.0 109.304 179.613 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 68' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -118.87 122.6 42.69 Favored 'General case' 0 N--CA 1.5 2.057 0 O-C-N 121.513 -0.742 . . . . 0.0 109.687 -179.874 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 94.1 m-20 -89.9 178.1 6.31 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.405 -0.809 . . . . 0.0 109.216 179.39 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 56.8 t80 -59.91 -48.17 82.79 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.46 -0.775 . . . . 0.0 109.834 179.922 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 25.4 mm100 -60.39 -40.02 89.36 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.0 -1.062 . . . . 0.0 109.497 -179.706 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 72' ' ' GLU . . . . . 0.419 ' OE1' ' OD1' ' B' ' 61' ' ' ASP . 45.1 mt-10 -68.71 -39.91 80.21 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.127 -0.983 . . . . 0.0 108.93 179.125 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 73' ' ' PHE . . . . . . . . . . . . . 93.8 t80 -59.96 -41.38 91.82 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.541 -0.724 . . . . 0.0 109.73 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 74' ' ' MET . . . . . . . . . . . . . 94.2 mmm -60.24 -39.97 88.59 Favored 'General case' 0 C--N 1.302 -1.48 0 O-C-N 121.231 -0.918 . . . . 0.0 109.412 179.784 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -60.12 -40.0 88.19 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.257 -0.902 . . . . 0.0 110.116 -179.492 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 68.2 t80 -60.04 -40.24 88.7 Favored 'General case' 0 C--N 1.302 -1.488 0 O-C-N 121.228 -0.92 . . . . 0.0 110.792 -179.24 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 77' ' ' VAL . . . . . . . . . . . . . 54.3 t -61.06 -41.83 90.76 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.741 0 O-C-N 120.878 -1.139 . . . . 0.0 109.692 -179.748 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 78' ' ' SER . . . . . . . . . . . . . 66.1 p -67.01 -39.92 87.19 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.152 -0.968 . . . . 0.0 110.249 -179.708 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 79' ' ' MET . . . . . . . . . . . . . 98.2 mtp -60.01 -43.54 95.16 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.104 -0.998 . . . . 0.0 109.843 -178.881 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 70.2 t -70.1 -40.59 78.5 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.511 0 O-C-N 121.099 -1.001 . . . . 0.0 109.579 179.887 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 92.5 m -61.14 -40.02 92.25 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.15 -0.969 . . . . 0.0 110.149 -179.142 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 87.3 m -60.32 -42.37 95.48 Favored 'General case' 0 N--CA 1.494 1.739 0 O-C-N 121.131 -0.981 . . . . 0.0 110.322 -178.915 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -62.55 -42.19 99.37 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 120.886 -1.134 . . . . 0.0 109.085 -179.919 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 84' ' ' CYS . . . . . 0.477 ' SG ' ' CZ ' ' B' ' 43' ' ' PHE . 14.7 m -80.56 133.38 35.78 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.446 -0.784 . . . . 0.0 108.893 179.629 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 85' ' ' HIS . . . . . 0.489 ' O ' ' CB ' ' B' ' 86' ' ' GLU . 53.6 p-80 -158.6 -165.9 1.77 Allowed 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.098 -1.001 . . . . 0.0 109.856 -179.575 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 86' ' ' GLU . . . . . 0.492 ' C ' ' CG ' ' B' ' 87' ' ' PHE . 1.4 tm-20 78.37 21.17 0.84 Allowed 'General case' 0 N--CA 1.494 1.756 0 O-C-N 121.607 -0.683 . . . . 0.0 109.186 -179.692 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 87' ' ' PHE . . . . . 0.495 ' N ' ' CD1' ' B' ' 87' ' ' PHE . 0.1 OUTLIER 39.93 90.04 0.01 OUTLIER 'General case' 0 N--CA 1.502 2.129 0 N-CA-C 109.267 -0.642 . . . . 0.0 109.267 179.919 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 36.2 t80 -53.74 120.58 6.43 Favored 'General case' 0 C--N 1.299 -1.596 0 O-C-N 121.398 -0.814 . . . . 0.0 109.682 -178.738 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 89' ' ' GLU . . . . . 0.509 ' CD ' ' H ' ' B' ' 89' ' ' GLU . 3.8 pm0 -94.56 172.83 7.94 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.358 -0.839 . . . . 0.0 109.232 179.388 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 90' ' ' HIS . . . . . 0.679 ' HD1' ' H ' ' B' ' 91' ' ' GLU . 0.9 OUTLIER -60.04 140.06 57.06 Favored 'General case' 0 C--N 1.302 -1.478 0 O-C-N 121.42 -0.8 . . . . 0.0 109.643 -179.684 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' B' B ' 91' ' ' GLU . . . . . 0.679 ' H ' ' HD1' ' B' ' 90' ' ' HIS . 88.0 tt0 . . . . . 0 N--CA 1.489 1.484 0 CA-C-O 117.979 -1.01 . . . . 0.0 109.42 -179.546 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 92' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 93' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' B' B ' 92' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' B' B ' 93' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 0' ' ' MET . . . . . 0.591 ' SD ' ' N ' ' A' ' 1' ' ' SER . 0.0 OUTLIER . . . . . 0 N--CA 1.491 1.62 0 N-CA-C 108.79 -0.819 . . . . 0.0 108.79 . . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' SER . . . . . 0.591 ' N ' ' SD ' ' A' ' 0' ' ' MET . 36.2 m -77.24 123.99 27.22 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 120.931 -1.105 . . . . 0.0 109.084 179.676 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 13.9 pt-20 -66.44 -39.24 88.77 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.318 -0.864 . . . . 0.0 110.535 -179.329 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 25.2 tp -59.88 -44.98 93.89 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 120.903 -1.123 . . . . 0.0 108.883 -179.419 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 39.3 mm-40 -59.99 -40.23 88.44 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.308 -0.87 . . . . 0.0 109.906 -179.325 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 59.8 tttm -62.17 -40.03 94.65 Favored 'General case' 0 C--N 1.302 -1.459 0 O-C-N 121.119 -0.988 . . . . 0.0 109.595 -179.521 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -69.54 -40.05 77.08 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.101 -0.999 . . . . 0.0 109.501 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 9.7 ttp -66.78 -40.01 88.01 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.161 -0.962 . . . . 0.0 108.792 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 54.5 t -67.43 -39.96 83.62 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.565 0 O-C-N 121.416 -0.802 . . . . 0.0 109.221 179.209 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -57.02 -39.97 75.77 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.239 -0.913 . . . . 0.0 109.988 -178.737 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 98.0 mt -60.11 -42.74 95.39 Favored 'General case' 0 C--N 1.301 -1.501 0 O-C-N 120.754 -1.216 . . . . 0.0 108.398 179.489 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.432 HD11 HG22 ' A' ' 11' ' ' ILE . 93.3 mt -73.65 -42.34 55.15 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.62 0 O-C-N 121.339 -0.851 . . . . 0.0 110.087 179.24 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -69.95 -40.57 75.39 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.24 -0.912 . . . . 0.0 110.202 -179.039 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 54.5 t -65.2 -39.95 87.13 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.668 0 O-C-N 121.334 -0.854 . . . . 0.0 109.666 -179.873 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 46.7 t80 -59.95 -44.21 94.54 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.203 -0.936 . . . . 0.0 109.646 -179.005 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 3.9 m-70 -61.57 -49.09 78.05 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.109 -0.994 . . . . 0.0 109.639 -179.94 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 4.7 tp-100 -69.91 -41.19 75.02 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.371 -0.831 . . . . 0.0 110.037 -179.706 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . 0.527 ' HH ' ' N ' ' A' ' 35' ' ' LEU . 9.5 t80 -69.92 -40.01 75.82 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.111 -0.993 . . . . 0.0 109.487 -179.287 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' SER . . . . . 0.539 ' C ' ' H ' ' A' ' 20' ' ' ARG . 59.2 p -71.42 -37.06 71.49 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.124 -0.985 . . . . 0.0 109.953 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -68.39 15.54 0.58 Allowed Glycine 0 N--CA 1.493 2.469 0 N-CA-C 110.382 -1.087 . . . . 0.0 110.382 -179.147 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . 0.539 ' H ' ' C ' ' A' ' 18' ' ' SER . 1.5 tpt180 -60.01 -40.08 88.04 Favored 'General case' 0 C--N 1.3 -1.55 0 O-C-N 121.128 -1.219 . . . . 0.0 109.117 -179.829 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -135.61 -164.65 1.57 Allowed 'General case' 0 N--CA 1.498 1.96 0 O-C-N 121.465 -0.772 . . . . 0.0 109.716 -179.57 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -58.79 -29.04 63.95 Favored Glycine 0 N--CA 1.491 2.303 0 N-CA-C 110.441 -1.064 . . . . 0.0 110.441 -179.579 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 84.2 m-20 -70.17 103.54 2.36 Favored 'General case' 0 N--CA 1.494 1.749 0 O-C-N 120.885 -1.362 . . . . 0.0 109.382 -179.721 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 47.6 tttp -103.4 -34.54 8.7 Favored 'General case' 0 N--CA 1.499 1.986 0 O-C-N 121.45 -0.781 . . . . 0.0 110.648 -179.228 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 91.4 m-70 -94.53 -1.07 54.08 Favored 'General case' 0 N--CA 1.501 2.104 0 O-C-N 120.793 -1.192 . . . . 0.0 111.593 -178.272 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 58.9 pttt -150.82 161.69 42.18 Favored 'General case' 0 N--CA 1.499 1.988 0 O-C-N 120.48 -1.388 . . . . 0.0 110.78 -179.621 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 84.7 mt -115.91 137.12 52.4 Favored 'General case' 0 N--CA 1.498 1.952 0 N-CA-C 108.967 -0.753 . . . . 0.0 108.967 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 8.7 mtmp? -94.96 179.78 5.11 Favored 'General case' 0 N--CA 1.497 1.913 0 O-C-N 121.09 -1.006 . . . . 0.0 109.342 179.87 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 34.6 ttmt -59.97 -40.06 87.79 Favored 'General case' 0 N--CA 1.495 1.794 0 O-C-N 121.339 -0.851 . . . . 0.0 110.668 -179.3 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' SER . . . . . 0.437 ' OG ' ' OE1' ' A' ' 31' ' ' GLU . 91.7 p -59.9 -40.04 87.4 Favored 'General case' 0 N--CA 1.494 1.774 0 O-C-N 120.952 -1.092 . . . . 0.0 110.464 -178.64 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . 0.567 ' N ' ' OE1' ' A' ' 31' ' ' GLU . 7.6 mp0 -66.84 -37.29 84.2 Favored 'General case' 0 C--N 1.299 -1.621 0 O-C-N 120.891 -1.131 . . . . 0.0 109.765 179.916 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 28.9 tp -60.0 -47.66 84.9 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.411 -0.806 . . . . 0.0 111.311 -177.752 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 51.4 pttt -69.36 -35.15 75.56 Favored 'General case' 0 N--CA 1.496 1.825 0 O-C-N 120.593 -1.317 . . . . 0.0 110.265 -178.423 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 24.9 mm-40 -61.43 -40.3 93.94 Favored 'General case' 0 N--CA 1.498 1.925 0 O-C-N 120.87 -1.144 . . . . 0.0 110.403 179.806 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.527 ' N ' ' HH ' ' A' ' 17' ' ' TYR . 9.9 tp -60.07 -45.46 92.8 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.056 -1.027 . . . . 0.0 109.447 -179.161 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 96.1 mt -61.49 -40.01 84.93 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.632 0 O-C-N 121.276 -0.89 . . . . 0.0 111.917 -178.72 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 83.3 m-20 -67.19 -62.76 1.27 Allowed 'General case' 0 N--CA 1.496 1.865 0 O-C-N 120.937 -1.102 . . . . 0.0 113.951 -176.3 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 33.2 p-10 -81.6 -21.52 38.3 Favored 'General case' 0 N--CA 1.502 2.169 0 N-CA-C 114.448 1.277 . . . . 0.0 114.448 -175.887 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 63.3 mm-40 -92.33 -1.64 56.92 Favored 'General case' 0 N--CA 1.506 2.325 0 O-C-N 120.107 -1.621 . . . . 0.0 111.471 -177.916 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.45 ' CD2' ' N ' ' A' ' 40' ' ' LEU . 1.2 mm? -99.86 120.44 39.77 Favored 'General case' 0 N--CA 1.5 2.041 0 O-C-N 120.992 -1.068 . . . . 0.0 108.684 179.101 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' SER . . . . . 0.572 ' HG ' ' H ' ' A' ' 42' ' ' HIS . 18.4 p -77.35 -62.34 1.69 Allowed 'General case' 0 N--CA 1.488 1.444 0 O-C-N 121.47 -0.769 . . . . 0.0 110.262 -179.293 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' HIS . . . . . 0.572 ' H ' ' HG ' ' A' ' 41' ' ' SER . 65.4 m80 -142.13 -5.38 0.99 Allowed 'General case' 0 N--CA 1.498 1.971 0 O-C-N 121.128 -0.982 . . . . 0.0 110.447 -179.356 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 42.8 m-85 -60.07 -41.22 91.92 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 120.925 -1.11 . . . . 0.0 109.743 -179.481 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 22.4 mt -142.3 -85.68 0.16 Allowed 'General case' 0 N--CA 1.5 2.07 0 O-C-N 121.139 -0.976 . . . . 0.0 109.58 -179.564 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . 0.408 ' OE1' ' O ' ' A' ' 45' ' ' GLU . 2.1 tm-20 61.19 20.58 11.11 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.303 -0.873 . . . . 0.0 109.572 -179.704 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 12.8 tp10 -98.47 -138.59 0.3 Allowed 'General case' 0 N--CA 1.499 1.991 0 O-C-N 121.214 -0.929 . . . . 0.0 109.096 179.888 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 65.7 mt 58.67 113.67 0.02 OUTLIER 'Isoleucine or valine' 0 N--CA 1.498 1.937 0 O-C-N 121.694 -0.628 . . . . 0.0 111.144 178.863 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 26.8 mttm -131.48 -34.17 1.4 Allowed 'General case' 0 N--CA 1.499 2.023 0 O-C-N 121.48 -0.762 . . . . 0.0 109.496 178.737 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 30.1 mp0 -86.87 145.53 26.54 Favored 'General case' 0 N--CA 1.498 1.929 0 O-C-N 121.045 -1.034 . . . . 0.0 110.307 -179.706 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 21.9 mp0 -68.98 -31.13 69.75 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.47 -0.769 . . . . 0.0 109.655 -179.905 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 -59.91 -40.09 87.63 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.216 -0.928 . . . . 0.0 109.634 -179.112 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 54.0 t -60.86 -42.73 93.66 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.617 0 O-C-N 121.223 -0.923 . . . . 0.0 109.789 -179.762 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 55.8 t -66.38 -43.13 91.43 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.622 0 O-C-N 121.059 -1.025 . . . . 0.0 109.913 -179.471 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 58.9 t0 -59.99 -43.68 94.99 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.168 -0.957 . . . . 0.0 109.812 -179.115 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 17.6 tptm -68.59 -40.62 80.43 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.2 -0.938 . . . . 0.0 109.803 -179.37 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 54.4 t -69.89 -47.98 66.37 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.706 0 O-C-N 121.209 -0.932 . . . . 0.0 110.18 -179.74 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -60.07 -40.09 88.28 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.037 -1.039 . . . . 0.0 109.805 -179.292 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 86.3 tt0 -62.91 -40.23 96.96 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.197 -0.94 . . . . 0.0 109.912 -179.891 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 94.5 m -69.95 -40.19 75.59 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.345 -0.847 . . . . 0.0 110.757 -179.233 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 60.6 tp -63.94 -39.99 95.42 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.023 -1.048 . . . . 0.0 110.076 -178.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 34.8 m-20 -73.17 99.94 2.95 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 120.858 -1.151 . . . . 0.0 109.507 -179.206 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 49.7 tp10 -64.07 -39.99 95.27 Favored 'General case' 0 C--N 1.302 -1.482 0 O-C-N 121.55 -0.718 . . . . 0.0 109.755 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 45.6 p-10 -86.61 -6.41 58.88 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 121.14 -0.975 . . . . 0.0 109.92 -179.366 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 55.19 44.6 84.05 Favored Glycine 0 N--CA 1.491 2.324 0 N-CA-C 109.896 -1.281 . . . . 0.0 109.896 179.642 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . 0.434 ' OD2' ' O ' ' A' ' 67' ' ' GLU . 50.9 p-10 -72.52 -9.96 59.2 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.004 -1.292 . . . . 0.0 109.156 179.93 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 73.77 5.6 69.72 Favored Glycine 0 N--CA 1.492 2.386 0 N-CA-C 110.41 -1.076 . . . . 0.0 110.41 178.885 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . 0.434 ' O ' ' OD2' ' A' ' 65' ' ' ASP . 12.7 pt-20 -149.58 159.25 44.48 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.043 -1.269 . . . . 0.0 109.615 -179.902 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 79.4 m -105.95 111.23 23.79 Favored 'General case' 0 N--CA 1.496 1.839 0 O-C-N 121.489 -0.757 . . . . 0.0 109.072 179.793 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . 0.494 ' OD1' ' N ' ' A' ' 70' ' ' PHE . 10.3 t70 -89.38 178.38 6.34 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.374 -0.829 . . . . 0.0 109.332 -179.916 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' PHE . . . . . 0.494 ' N ' ' OD1' ' A' ' 69' ' ' ASP . 70.8 t80 -59.96 -46.0 90.83 Favored 'General case' 0 C--N 1.302 -1.475 0 O-C-N 121.203 -0.935 . . . . 0.0 109.433 -179.531 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 60.6 tt0 -61.71 -40.04 93.63 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.034 -1.041 . . . . 0.0 108.683 178.904 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 73.9 mm-40 -59.99 -37.43 79.65 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.476 -0.765 . . . . 0.0 109.915 179.873 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 64.1 t80 -59.68 -44.43 93.63 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.148 -0.97 . . . . 0.0 109.359 -179.087 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 11.6 tpt -59.98 -40.05 87.79 Favored 'General case' 0 C--N 1.302 -1.484 0 N-CA-C 108.522 -0.918 . . . . 0.0 108.522 178.84 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -61.39 -36.34 80.0 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.582 -0.699 . . . . 0.0 110.432 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 26.0 t80 -59.98 -49.85 76.07 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 120.942 -1.099 . . . . 0.0 109.574 -178.784 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 95.7 t -62.59 -40.27 87.71 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.478 0 O-C-N 121.078 -1.014 . . . . 0.0 110.048 -179.601 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 79.8 p -64.15 -39.93 95.07 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.17 -0.956 . . . . 0.0 110.917 -178.923 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 4.2 tpt -60.02 -43.68 95.1 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 120.867 -1.146 . . . . 0.0 109.54 -179.442 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 72.3 t -69.93 -39.99 78.21 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.493 0 O-C-N 121.17 -0.956 . . . . 0.0 109.656 -179.735 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 94.3 m -67.45 -40.06 85.39 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.121 -0.987 . . . . 0.0 110.148 -179.369 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 33.1 p -65.59 -39.99 92.19 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.024 -1.048 . . . . 0.0 109.365 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -62.06 -39.89 93.92 Favored 'General case' 0 N--CA 1.487 1.415 0 O-C-N 121.367 -0.833 . . . . 0.0 109.077 179.433 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 19.1 t -76.89 130.39 37.51 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.364 -0.835 . . . . 0.0 109.497 179.884 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' HIS . . . . . 0.423 ' C ' ' N ' ' A' ' 87' ' ' PHE . 21.1 m170 -113.73 174.69 5.8 Favored 'General case' 0 N--CA 1.498 1.929 0 O-C-N 121.589 -0.694 . . . . 0.0 109.309 -179.788 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . 0.535 ' O ' ' N ' ' A' ' 88' ' ' PHE . 44.4 tp10 -50.0 -20.23 0.9 Allowed 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.201 -0.937 . . . . 0.0 108.489 179.525 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' PHE . . . . . 0.474 ' O ' ' CD1' ' A' ' 87' ' ' PHE . 51.6 t80 -46.87 -12.45 0.02 OUTLIER 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.605 -0.684 . . . . 0.0 109.863 179.355 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . 0.535 ' N ' ' O ' ' A' ' 86' ' ' GLU . 62.2 t80 -75.95 -9.45 58.62 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.307 -0.871 . . . . 0.0 110.408 -179.094 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 54.4 tp10 -61.67 120.63 11.0 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 120.844 -1.16 . . . . 0.0 108.32 179.43 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 90' ' ' HIS . . . . . 0.405 ' O ' ' OXT' ' A' ' 91' ' ' GLU . 67.7 t60 -110.55 -76.97 0.6 Allowed 'General case' 0 N--CA 1.5 2.062 0 O-C-N 121.403 -0.811 . . . . 0.0 109.779 -179.277 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . 0.405 ' OXT' ' O ' ' A' ' 90' ' ' HIS . 88.0 tt0 . . . . . 0 N--CA 1.492 1.663 0 CA-C-O 117.993 -1.003 . . . . 0.0 109.471 -179.774 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 0' ' ' MET . . . . . 0.593 ' SD ' ' N ' ' B' ' 1' ' ' SER . 0.0 OUTLIER . . . . . 0 N--CA 1.489 1.507 0 N-CA-C 108.601 -0.889 . . . . 0.0 108.601 . . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 1' ' ' SER . . . . . 0.593 ' N ' ' SD ' ' B' ' 0' ' ' MET . 26.9 m -77.11 124.75 28.26 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 120.897 -1.127 . . . . 0.0 108.918 179.707 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 13.9 pt-20 -67.27 -38.91 85.88 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.334 -0.854 . . . . 0.0 110.493 -179.289 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 28.3 tp -59.99 -44.83 94.26 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 120.908 -1.12 . . . . 0.0 108.892 -179.491 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 39.8 mm-40 -60.22 -40.1 89.0 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.216 -0.928 . . . . 0.0 109.983 -179.362 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 59.9 tttm -62.15 -39.93 94.25 Favored 'General case' 0 C--N 1.302 -1.467 0 O-C-N 121.228 -0.92 . . . . 0.0 109.845 -179.744 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -69.64 -39.97 76.79 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.115 -0.991 . . . . 0.0 109.465 179.911 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 7' ' ' MET . . . . . . . . . . . . . 11.0 ttp -66.86 -40.01 87.75 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.311 -0.868 . . . . 0.0 108.729 -179.747 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 54.6 t -67.55 -40.05 83.56 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.622 0 O-C-N 121.423 -0.798 . . . . 0.0 109.186 179.272 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -57.02 -40.06 75.96 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.307 -0.871 . . . . 0.0 109.904 -178.622 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 93.8 mt -59.99 -42.98 95.41 Favored 'General case' 0 C--N 1.301 -1.506 0 O-C-N 120.904 -1.122 . . . . 0.0 108.467 179.4 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 11' ' ' ILE . . . . . 0.413 HD11 HG22 ' B' ' 11' ' ' ILE . 91.8 mt -73.25 -42.65 57.9 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.589 0 O-C-N 121.44 -0.787 . . . . 0.0 110.043 179.252 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -69.71 -40.66 76.14 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.275 -0.89 . . . . 0.0 110.19 -179.023 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 54.6 t -65.07 -39.98 87.43 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.558 0 O-C-N 121.153 -0.967 . . . . 0.0 109.672 -179.87 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 14' ' ' PHE . . . . . . . . . . . . . 47.5 t80 -60.04 -44.27 94.76 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.242 -0.911 . . . . 0.0 109.615 -178.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 3.8 m-70 -61.47 -49.08 78.22 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.105 -0.997 . . . . 0.0 109.51 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 4.6 tp-100 -70.02 -40.97 74.89 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.375 -0.828 . . . . 0.0 110.071 -179.647 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 9.6 t80 -69.95 -40.09 75.65 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.299 -0.876 . . . . 0.0 109.352 -179.319 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 18' ' ' SER . . . . . 0.541 ' C ' ' H ' ' B' ' 20' ' ' ARG . 60.6 p -71.32 -37.09 71.78 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.113 -0.992 . . . . 0.0 110.054 -179.911 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -68.27 15.39 0.57 Allowed Glycine 0 N--CA 1.493 2.492 0 N-CA-C 110.368 -1.093 . . . . 0.0 110.368 -179.121 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 20' ' ' ARG . . . . . 0.541 ' H ' ' C ' ' B' ' 18' ' ' SER . 1.4 tpt180 -59.97 -40.04 87.73 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 121.119 -1.224 . . . . 0.0 109.061 -179.793 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -135.49 -163.97 1.47 Allowed 'General case' 0 N--CA 1.496 1.871 0 O-C-N 121.465 -0.772 . . . . 0.0 109.844 -179.601 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . -59.54 -28.56 65.26 Favored Glycine 0 N--CA 1.493 2.476 0 N-CA-C 110.269 -1.133 . . . . 0.0 110.269 -179.471 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 83.9 m-20 -70.61 104.03 2.69 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 120.962 -1.316 . . . . 0.0 109.286 -179.827 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 45.2 tttp -104.02 -34.27 8.5 Favored 'General case' 0 N--CA 1.496 1.841 0 O-C-N 121.549 -0.72 . . . . 0.0 110.687 -179.248 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 25' ' ' HIS . . . . . . . . . . . . . 91.2 m-70 -94.71 -1.05 53.77 Favored 'General case' 0 N--CA 1.5 2.053 0 O-C-N 120.902 -1.124 . . . . 0.0 111.56 -178.32 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 59.2 pttt -150.75 162.05 41.46 Favored 'General case' 0 N--CA 1.499 2.02 0 O-C-N 120.568 -1.333 . . . . 0.0 110.737 -179.734 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 81.3 mt -116.24 137.26 52.29 Favored 'General case' 0 N--CA 1.498 1.931 0 N-CA-C 108.954 -0.758 . . . . 0.0 108.954 179.83 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 8.4 mtmp? -95.05 179.77 5.1 Favored 'General case' 0 N--CA 1.496 1.833 0 O-C-N 121.171 -0.956 . . . . 0.0 109.428 179.871 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 36.0 ttmt -60.06 -39.96 87.79 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.415 -0.803 . . . . 0.0 110.69 -179.273 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 30' ' ' SER . . . . . 0.434 ' OG ' ' OE1' ' B' ' 31' ' ' GLU . 96.6 p -59.87 -40.1 87.49 Favored 'General case' 0 N--CA 1.495 1.802 0 O-C-N 120.851 -1.156 . . . . 0.0 110.393 -178.597 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 31' ' ' GLU . . . . . 0.574 ' OE1' ' N ' ' B' ' 31' ' ' GLU . 7.7 mp0 -66.93 -37.08 83.66 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 120.759 -1.213 . . . . 0.0 109.804 179.904 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 36.9 tp -59.99 -47.7 84.73 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.298 -0.876 . . . . 0.0 111.122 -177.749 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 52.6 pttt -69.57 -34.82 74.71 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 120.577 -1.327 . . . . 0.0 110.397 -178.401 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 24.2 mm-40 -61.69 -40.43 94.97 Favored 'General case' 0 N--CA 1.497 1.898 0 O-C-N 120.805 -1.184 . . . . 0.0 110.364 179.777 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 9.6 tp -59.94 -46.09 90.51 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 120.976 -1.078 . . . . 0.0 109.411 -179.231 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 36' ' ' ILE . . . . . 0.429 HG22 HD11 ' B' ' 36' ' ' ILE . 87.4 mt -60.69 -40.07 83.62 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.757 0 O-C-N 121.288 -0.883 . . . . 0.0 111.892 -178.79 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 83.4 m-20 -67.53 -62.84 1.22 Allowed 'General case' 0 N--CA 1.497 1.923 0 N-CA-C 114.064 1.135 . . . . 0.0 114.064 -176.403 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 33.9 p-10 -81.51 -21.89 38.31 Favored 'General case' 0 N--CA 1.502 2.164 0 O-C-N 120.716 -1.24 . . . . 0.0 114.317 -175.79 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 63.9 mm-40 -92.03 -1.71 57.08 Favored 'General case' 0 N--CA 1.506 2.339 0 O-C-N 120.107 -1.621 . . . . 0.0 111.471 -177.909 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 40' ' ' LEU . . . . . 0.445 ' CD2' ' N ' ' B' ' 40' ' ' LEU . 1.2 mm? -99.8 120.41 39.7 Favored 'General case' 0 N--CA 1.501 2.104 0 O-C-N 120.974 -1.079 . . . . 0.0 108.654 179.048 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 17.7 p -77.21 -62.46 1.65 Allowed 'General case' 0 N--CA 1.486 1.361 0 O-C-N 121.438 -0.789 . . . . 0.0 110.297 -179.347 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 42' ' ' HIS . . . . . . . . . . . . . 65.9 m80 -142.15 -5.29 0.99 Allowed 'General case' 0 N--CA 1.497 1.914 0 O-C-N 121.085 -1.01 . . . . 0.0 110.52 -179.378 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 43.5 m-85 -60.0 -41.34 91.89 Favored 'General case' 0 N--CA 1.494 1.733 0 O-C-N 120.877 -1.139 . . . . 0.0 109.764 -179.576 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 25.3 mt -142.07 -86.06 0.17 Allowed 'General case' 0 N--CA 1.502 2.126 0 O-C-N 121.1 -1.0 . . . . 0.0 109.538 -179.389 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 2.1 tm-20 61.45 20.7 11.4 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.388 -0.82 . . . . 0.0 109.46 -179.769 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 12.7 tp10 -98.86 -138.78 0.31 Allowed 'General case' 0 N--CA 1.499 2.015 0 O-C-N 121.2 -0.937 . . . . 0.0 109.036 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 64.4 mt 58.88 113.47 0.02 OUTLIER 'Isoleucine or valine' 0 N--CA 1.498 1.953 0 O-C-N 121.72 -0.613 . . . . 0.0 111.26 178.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 27.0 mttm -131.35 -34.32 1.41 Allowed 'General case' 0 N--CA 1.501 2.115 0 O-C-N 121.538 -0.726 . . . . 0.0 109.428 178.741 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 30.3 mp0 -86.71 145.37 26.7 Favored 'General case' 0 N--CA 1.498 1.951 0 O-C-N 121.063 -1.023 . . . . 0.0 110.146 -179.652 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 21.8 mp0 -68.92 -31.1 69.76 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.474 -0.766 . . . . 0.0 109.674 -179.883 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -60.01 -40.04 87.9 Favored 'General case' 0 N--CA 1.488 1.464 0 O-C-N 121.227 -0.921 . . . . 0.0 109.531 -178.954 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 54.1 t -60.91 -42.6 93.35 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.64 0 O-C-N 121.215 -0.928 . . . . 0.0 109.794 -179.913 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 54.2 t -66.71 -42.87 90.15 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.628 0 O-C-N 121.043 -1.035 . . . . 0.0 109.904 -179.488 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 58.8 t0 -60.13 -43.26 95.82 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.246 -0.909 . . . . 0.0 109.695 -179.133 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 17.7 tptm -69.22 -40.26 78.07 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.083 -1.011 . . . . 0.0 109.722 -179.266 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 54.4 t -70.05 -47.76 66.51 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.622 0 O-C-N 121.148 -0.97 . . . . 0.0 110.238 -179.831 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 57' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -60.07 -40.34 89.15 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.089 -1.007 . . . . 0.0 109.872 -179.293 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 86.3 tt0 -62.58 -40.2 96.13 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.215 -0.928 . . . . 0.0 109.927 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 94.3 m -69.95 -40.24 75.55 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.322 -0.861 . . . . 0.0 110.764 -179.124 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 60.7 tp -63.91 -40.04 95.57 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 121.051 -1.031 . . . . 0.0 110.101 -178.782 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 36.1 m-20 -73.2 99.4 2.83 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 120.971 -1.081 . . . . 0.0 109.618 -179.23 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 49.8 tp10 -63.42 -39.94 95.84 Favored 'General case' 0 C--N 1.304 -1.383 0 O-C-N 121.575 -0.703 . . . . 0.0 109.826 179.895 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 46.0 p-10 -86.74 -6.28 58.87 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.076 -1.015 . . . . 0.0 109.904 -179.322 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 55.8 43.53 87.02 Favored Glycine 0 N--CA 1.49 2.275 0 N-CA-C 109.983 -1.247 . . . . 0.0 109.983 179.483 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 65' ' ' ASP . . . . . 0.438 ' OD2' ' O ' ' B' ' 67' ' ' GLU . 50.4 p-10 -72.01 -9.98 59.13 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 120.972 -1.31 . . . . 0.0 109.271 -179.796 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 73.97 5.1 69.25 Favored Glycine 0 N--CA 1.492 2.408 0 N-CA-C 110.543 -1.023 . . . . 0.0 110.543 178.878 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 67' ' ' GLU . . . . . 0.438 ' O ' ' OD2' ' B' ' 65' ' ' ASP . 12.6 pt-20 -149.26 159.39 44.31 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 120.98 -1.306 . . . . 0.0 109.536 -179.785 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 68' ' ' CYS . . . . . . . . . . . . . 81.7 m -106.12 111.33 23.9 Favored 'General case' 0 N--CA 1.496 1.841 0 O-C-N 121.47 -0.769 . . . . 0.0 109.14 179.783 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 69' ' ' ASP . . . . . 0.472 ' OD1' ' N ' ' B' ' 70' ' ' PHE . 10.3 t70 -89.37 178.52 6.31 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.39 -0.819 . . . . 0.0 109.488 -179.838 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 70' ' ' PHE . . . . . 0.472 ' N ' ' OD1' ' B' ' 69' ' ' ASP . 71.7 t80 -60.06 -45.96 91.14 Favored 'General case' 0 C--N 1.303 -1.456 0 O-C-N 121.288 -0.882 . . . . 0.0 109.352 -179.495 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 61.0 tt0 -61.89 -40.04 94.04 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.015 -1.053 . . . . 0.0 108.633 179.038 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 73.7 mm-40 -59.99 -37.26 79.15 Favored 'General case' 0 N--CA 1.494 1.743 0 O-C-N 121.528 -0.732 . . . . 0.0 109.973 179.891 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 73' ' ' PHE . . . . . . . . . . . . . 64.0 t80 -59.9 -44.38 94.3 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.192 -0.943 . . . . 0.0 109.262 -179.091 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 74' ' ' MET . . . . . . . . . . . . . 11.7 tpt -60.0 -40.09 88.01 Favored 'General case' 0 C--N 1.302 -1.484 0 O-C-N 121.154 -0.966 . . . . 0.0 108.468 178.826 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -61.33 -36.5 80.32 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.561 -0.712 . . . . 0.0 110.43 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 28.1 t80 -59.91 -49.82 76.19 Favored 'General case' 0 N--CA 1.495 1.796 0 O-C-N 121.056 -1.027 . . . . 0.0 109.535 -178.666 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 77' ' ' VAL . . . . . . . . . . . . . 96.1 t -62.51 -40.15 87.1 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.508 0 O-C-N 121.245 -0.909 . . . . 0.0 110.126 -179.764 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 78' ' ' SER . . . . . . . . . . . . . 78.7 p -64.27 -39.99 95.06 Favored 'General case' 0 N--CA 1.494 1.767 0 O-C-N 121.295 -0.878 . . . . 0.0 110.903 -178.925 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 79' ' ' MET . . . . . . . . . . . . . 4.3 tpt -59.97 -43.92 94.78 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 120.981 -1.075 . . . . 0.0 109.471 -179.39 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 71.8 t -69.78 -39.98 78.53 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.499 0 O-C-N 121.28 -0.888 . . . . 0.0 109.645 -179.698 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 94.3 m -67.49 -40.41 85.24 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.146 -0.971 . . . . 0.0 110.215 -179.451 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 33.9 p -65.25 -39.9 93.27 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.024 -1.047 . . . . 0.0 109.244 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -62.17 -39.98 94.47 Favored 'General case' 0 N--CA 1.488 1.448 0 O-C-N 121.315 -0.866 . . . . 0.0 109.128 179.64 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 84' ' ' CYS . . . . . . . . . . . . . 19.5 t -76.75 130.69 38.06 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.349 -0.844 . . . . 0.0 109.411 179.84 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 85' ' ' HIS . . . . . 0.411 ' C ' ' N ' ' B' ' 87' ' ' PHE . 21.6 m170 -114.09 174.74 5.79 Favored 'General case' 0 N--CA 1.498 1.974 0 O-C-N 121.62 -0.675 . . . . 0.0 109.279 -179.744 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 86' ' ' GLU . . . . . 0.533 ' O ' ' N ' ' B' ' 88' ' ' PHE . 44.3 tp10 -50.02 -20.13 0.88 Allowed 'General case' 0 N--CA 1.492 1.658 0 N-CA-C 108.489 -0.93 . . . . 0.0 108.489 179.538 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 87' ' ' PHE . . . . . 0.479 ' CD1' ' O ' ' B' ' 87' ' ' PHE . 51.8 t80 -46.95 -12.24 0.02 OUTLIER 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.545 -0.722 . . . . 0.0 109.801 179.254 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 88' ' ' PHE . . . . . 0.533 ' N ' ' O ' ' B' ' 86' ' ' GLU . 62.8 t80 -76.01 -9.07 58.32 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.159 -0.963 . . . . 0.0 110.445 -179.189 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 54.4 tp10 -62.21 120.59 11.22 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 120.857 -1.152 . . . . 0.0 108.274 179.522 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 90' ' ' HIS . . . . . . . . . . . . . 65.7 t60 -109.86 -80.01 0.58 Allowed 'General case' 0 N--CA 1.5 2.051 0 O-C-N 121.528 -0.733 . . . . 0.0 109.426 -179.18 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 88.1 tt0 . . . . . 0 N--CA 1.492 1.634 0 CA-C-O 117.816 -1.088 . . . . 0.0 109.526 -179.649 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 92' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 93' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' B' B ' 92' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' B' B ' 93' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 95.4 mtp . . . . . 0 N--CA 1.489 1.515 0 N-CA-C 109.255 -0.646 . . . . 0.0 109.255 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 8.9 m -148.12 178.89 8.17 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.331 -0.856 . . . . 0.0 109.42 -179.634 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -59.99 -34.48 73.38 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.218 -0.926 . . . . 0.0 109.858 -179.518 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 7.4 tt -59.87 -44.53 94.12 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.176 -0.952 . . . . 0.0 109.622 -178.454 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 87.5 tt0 -61.16 -42.47 98.62 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.003 -1.061 . . . . 0.0 109.7 179.822 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 77.3 mttt -62.09 -40.0 94.38 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.184 -0.947 . . . . 0.0 109.861 -179.814 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -59.99 -40.0 87.63 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.277 -0.889 . . . . 0.0 109.724 -179.349 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 92.7 mtp -60.08 -40.34 89.2 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 120.986 -1.071 . . . . 0.0 109.201 179.757 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 55.3 t -69.96 -40.03 78.18 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.482 0 O-C-N 121.238 -0.913 . . . . 0.0 109.475 179.334 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -62.43 -40.31 96.15 Favored 'General case' 0 N--CA 1.494 1.773 0 O-C-N 121.215 -0.928 . . . . 0.0 110.672 -179.357 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 60.6 tp -60.09 -43.48 95.51 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.138 -0.976 . . . . 0.0 110.563 -179.261 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 88.2 mt -65.76 -40.08 86.7 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.658 0 O-C-N 121.051 -1.03 . . . . 0.0 110.773 -179.038 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 96.0 m-20 -62.64 -41.93 99.32 Favored 'General case' 0 N--CA 1.497 1.913 0 O-C-N 120.816 -1.178 . . . . 0.0 111.083 -179.08 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 54.5 t -63.4 -40.03 87.53 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.766 0 O-C-N 121.066 -1.021 . . . . 0.0 109.859 -179.506 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 62.0 t80 -60.03 -42.6 94.76 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.328 -0.858 . . . . 0.0 110.541 -178.79 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 51.7 t60 -64.57 -39.97 94.72 Favored 'General case' 0 N--CA 1.495 1.812 0 O-C-N 121.278 -0.889 . . . . 0.0 111.024 -178.868 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 66.2 mm-40 -59.98 -40.05 87.78 Favored 'General case' 0 N--CA 1.498 1.962 0 O-C-N 120.766 -1.209 . . . . 0.0 111.36 -178.669 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 7.3 m-85 -68.53 -35.76 77.89 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 120.792 -1.192 . . . . 0.0 109.857 -179.468 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' SER . . . . . 0.522 ' HG ' ' H ' ' A' ' 25' ' ' HIS . 5.1 t -60.08 -38.77 83.87 Favored 'General case' 0 C--N 1.299 -1.626 0 O-C-N 121.034 -1.042 . . . . 0.0 110.097 -179.341 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -74.78 7.21 21.64 Favored Glycine 0 N--CA 1.493 2.484 0 C-N-CA 120.173 -1.013 . . . . 0.0 111.326 -178.87 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 8.6 mmm180 -59.96 -50.06 75.23 Favored 'General case' 0 N--CA 1.498 1.949 0 O-C-N 120.557 -1.555 . . . . 0.0 109.537 -179.889 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 74.7 mm-40 -103.28 9.41 38.07 Favored 'General case' 0 N--CA 1.496 1.831 0 O-C-N 121.264 -0.898 . . . . 0.0 109.283 -179.742 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 86.46 1.62 85.71 Favored Glycine 0 N--CA 1.491 2.303 0 N-CA-C 108.873 -1.691 . . . . 0.0 108.873 -179.601 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 89.4 m-20 -85.6 82.79 8.1 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.326 -1.102 . . . . 0.0 108.809 179.886 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 9.4 mtmp? -86.48 90.87 8.36 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.325 -0.859 . . . . 0.0 109.09 -179.89 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . 0.522 ' H ' ' HG ' ' A' ' 18' ' ' SER . 3.2 t-160 -173.22 -60.74 0.02 OUTLIER 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.46 -0.775 . . . . 0.0 109.131 -179.897 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 48.1 pttt -148.69 160.13 43.46 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.498 -0.751 . . . . 0.0 109.324 -179.71 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.421 ' N ' ' CD1' ' A' ' 27' ' ' LEU . 8.2 mp -98.62 136.18 39.07 Favored 'General case' 0 N--CA 1.497 1.916 0 O-C-N 121.207 -0.933 . . . . 0.0 109.716 -179.148 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 16.6 pttp -94.86 169.14 10.35 Favored 'General case' 0 N--CA 1.495 1.799 0 O-C-N 121.492 -0.755 . . . . 0.0 109.278 179.549 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 23.5 pttm -60.09 -35.14 74.54 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.279 -0.888 . . . . 0.0 110.759 -178.804 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 18.7 t -60.05 -42.09 93.74 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 120.739 -1.226 . . . . 0.0 108.629 -179.628 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 -69.99 -32.52 70.76 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.237 -0.914 . . . . 0.0 109.149 178.523 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 12.2 tp -59.98 -39.96 87.48 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.326 -0.859 . . . . 0.0 109.329 -179.434 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 21.0 tptm -58.56 -46.0 87.8 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 120.927 -1.108 . . . . 0.0 109.381 179.88 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 53.6 tp10 -66.56 -44.19 82.98 Favored 'General case' 0 C--N 1.302 -1.458 0 O-C-N 121.039 -1.038 . . . . 0.0 109.761 179.882 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 4.8 tt -60.11 -50.03 75.32 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.305 -0.872 . . . . 0.0 111.043 -179.164 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 93.3 mt -60.69 -45.91 96.76 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.654 0 O-C-N 121.011 -1.056 . . . . 0.0 109.943 -179.266 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 21.1 t-20 -67.3 -44.2 79.82 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 120.99 -1.069 . . . . 0.0 110.048 -179.848 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -67.82 -39.99 83.88 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.409 -0.807 . . . . 0.0 110.977 -178.842 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 46.6 tp10 -80.11 -71.34 0.46 Allowed 'General case' 0 N--CA 1.494 1.731 0 O-C-N 120.975 -1.078 . . . . 0.0 110.626 -178.871 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 18.0 mt -100.86 127.16 47.43 Favored 'General case' 0 N--CA 1.496 1.864 0 O-C-N 121.416 -0.802 . . . . 0.0 109.839 -178.938 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.3 t -139.95 -46.76 0.44 Allowed 'General case' 0 N--CA 1.493 1.687 0 N-CA-C 108.285 -1.005 . . . . 0.0 108.285 178.835 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' HIS . . . . . 0.515 ' HD1' ' H ' ' A' ' 43' ' ' PHE . 0.4 OUTLIER -60.84 -41.87 96.65 Favored 'General case' 0 N--CA 1.488 1.458 0 O-C-N 121.476 -0.765 . . . . 0.0 109.455 179.767 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . 0.515 ' H ' ' HD1' ' A' ' 42' ' ' HIS . 64.4 m-85 -70.0 -39.95 75.58 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 120.971 -1.081 . . . . 0.0 109.27 179.778 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 37.6 mt -128.95 125.77 38.19 Favored 'General case' 0 N--CA 1.5 2.066 0 O-C-N 121.551 -0.718 . . . . 0.0 109.11 179.815 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 15.6 pt-20 -146.92 15.06 1.19 Allowed 'General case' 0 N--CA 1.494 1.766 0 O-C-N 121.07 -1.019 . . . . 0.0 109.347 179.538 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 86.9 tt0 -87.42 -11.95 47.63 Favored 'General case' 0 N--CA 1.494 1.733 0 O-C-N 121.347 -0.845 . . . . 0.0 109.986 -179.59 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 88.4 mt -74.06 128.44 36.38 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.635 0 O-C-N 120.846 -1.159 . . . . 0.0 109.727 -179.772 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 86.2 tttt -150.16 -45.37 0.13 Allowed 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.318 -0.864 . . . . 0.0 109.455 179.528 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 42.2 mt-10 -85.37 147.72 26.37 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.303 -0.873 . . . . 0.0 110.084 -179.348 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . 0.613 ' H ' ' NE2' ' A' ' 50' ' ' GLN . 0.0 OUTLIER -69.64 -27.54 65.13 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.51 -0.744 . . . . 0.0 110.001 -179.797 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 36.7 tt0 -59.97 -40.08 87.85 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.25 -0.906 . . . . 0.0 109.942 -179.322 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 54.4 t -61.61 -43.2 96.65 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.67 0 O-C-N 121.161 -0.962 . . . . 0.0 109.899 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 53.2 t -60.14 -39.99 82.16 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.617 0 O-C-N 121.045 -1.034 . . . . 0.0 109.901 -179.424 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 8.2 t70 -60.0 -44.85 94.27 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.132 -0.98 . . . . 0.0 109.817 -179.501 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 36.5 ttpt -60.06 -47.94 83.77 Favored 'General case' 0 C--N 1.301 -1.54 0 O-C-N 121.179 -0.951 . . . . 0.0 109.571 179.686 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 53.4 t -69.94 -40.77 79.1 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.477 0 O-C-N 121.185 -0.947 . . . . 0.0 109.292 -179.833 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 15.9 tpt -60.2 -46.71 88.79 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.282 -0.886 . . . . 0.0 109.924 -179.632 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 43.2 tt0 -60.02 -40.11 88.18 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.251 -0.905 . . . . 0.0 109.915 -179.172 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 88.9 m -62.95 -40.32 97.33 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.293 -0.88 . . . . 0.0 109.717 -179.373 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 6.3 tp -81.43 -14.39 57.14 Favored 'General case' 0 N--CA 1.494 1.766 0 O-C-N 121.222 -0.924 . . . . 0.0 110.057 -179.635 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . 0.506 ' OD1' ' N ' ' A' ' 64' ' ' GLY . 58.0 t0 -79.01 97.45 6.09 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 120.886 -1.134 . . . . 0.0 109.726 -179.385 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 86.9 tt0 -82.3 -29.35 31.19 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.345 -0.847 . . . . 0.0 109.471 179.652 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 69.2 m-20 -87.6 -9.23 54.89 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.287 -0.883 . . . . 0.0 109.817 -179.243 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . 0.506 ' N ' ' OD1' ' A' ' 61' ' ' ASP . . . 61.69 16.2 50.31 Favored Glycine 0 N--CA 1.489 2.215 0 N-CA-C 109.337 -1.505 . . . . 0.0 109.337 -179.95 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 37.9 p-10 -90.44 -4.22 57.14 Favored 'General case' 0 N--CA 1.494 1.773 0 O-C-N 121.163 -1.198 . . . . 0.0 110.024 -179.79 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 69.94 30.78 69.92 Favored Glycine 0 N--CA 1.493 2.437 0 N-CA-C 110.358 -1.097 . . . . 0.0 110.358 179.081 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -134.94 147.75 49.87 Favored 'General case' 0 N--CA 1.5 2.048 0 O-C-N 121.28 -1.129 . . . . 0.0 109.324 -179.761 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 8.3 t -104.33 114.92 29.47 Favored 'General case' 0 N--CA 1.5 2.047 0 O-C-N 121.454 -0.779 . . . . 0.0 109.485 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 89.5 m-20 -89.13 167.28 13.25 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.469 -0.769 . . . . 0.0 109.542 179.78 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 55.9 t80 -60.01 -45.76 91.69 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.371 -0.83 . . . . 0.0 109.222 179.732 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 7.8 tt0 -60.12 -46.23 90.32 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.219 -0.926 . . . . 0.0 108.647 179.176 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -62.13 -39.68 93.39 Favored 'General case' 0 N--CA 1.489 1.523 0 CA-C-O 121.506 0.67 . . . . 0.0 109.496 -179.942 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 64.2 t80 -59.99 -40.73 90.15 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.412 -0.805 . . . . 0.0 109.745 -179.607 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 20.6 ttm -59.99 -38.3 82.17 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.158 -0.964 . . . . 0.0 109.657 179.329 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -58.87 -39.94 82.87 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.276 -0.89 . . . . 0.0 109.896 -178.909 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 67.6 t80 -59.97 -48.39 81.88 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 120.993 -1.067 . . . . 0.0 108.895 179.49 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 98.8 t -60.9 -38.64 79.69 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.539 0 O-C-N 121.686 -0.634 . . . . 0.0 109.594 179.47 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 23.3 t -58.79 -40.01 82.75 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.319 -0.863 . . . . 0.0 110.43 -178.812 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 52.1 mtt -60.01 -40.0 87.78 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 120.918 -1.114 . . . . 0.0 109.982 -179.543 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 94.6 t -68.48 -40.05 81.56 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.564 0 O-C-N 121.043 -1.036 . . . . 0.0 109.857 -179.753 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' THR . . . . . 0.509 ' O ' ' SG ' ' A' ' 84' ' ' CYS . 66.9 p -68.0 -40.01 83.12 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.083 -1.011 . . . . 0.0 110.605 -179.438 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 28.4 p -60.07 -39.92 87.73 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 120.836 -1.165 . . . . 0.0 109.504 -179.774 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -61.2 -29.14 69.63 Favored 'General case' 0 C--N 1.302 -1.484 0 O-C-N 121.303 -0.873 . . . . 0.0 109.79 -179.866 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' CYS . . . . . 0.509 ' SG ' ' O ' ' A' ' 81' ' ' THR . 1.5 p -66.41 138.25 57.44 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.187 -0.946 . . . . 0.0 110.084 -179.271 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' HIS . . . . . 0.529 ' O ' ' ND1' ' A' ' 85' ' ' HIS . 42.1 t-80 -108.15 25.3 11.78 Favored 'General case' 0 N--CA 1.501 2.088 0 O-C-N 121.514 -0.742 . . . . 0.0 109.29 179.711 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . 0.456 ' CB ' ' O ' ' A' ' 85' ' ' HIS . 7.0 tm-20 77.16 -28.17 0.17 Allowed 'General case' 0 N--CA 1.498 1.929 0 O-C-N 121.494 -0.754 . . . . 0.0 109.299 -179.871 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' PHE . . . . . 0.52 ' CD2' ' O ' ' A' ' 87' ' ' PHE . 61.7 t80 -87.1 -8.89 56.58 Favored 'General case' 0 N--CA 1.489 1.511 0 N-CA-C 108.451 -0.944 . . . . 0.0 108.451 178.954 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . 0.52 ' CZ ' ' OE2' ' A' ' 91' ' ' GLU . 38.6 t80 -72.1 88.75 1.12 Allowed 'General case' 0 N--CA 1.488 1.444 0 N-CA-C 108.78 -0.822 . . . . 0.0 108.78 -179.86 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . 0.507 ' OE2' ' NE2' ' A' ' 90' ' ' HIS . 39.0 tt0 -144.61 -91.39 0.1 Allowed 'General case' 0 N--CA 1.495 1.799 0 N-CA-C 108.719 -0.845 . . . . 0.0 108.719 179.944 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 90' ' ' HIS . . . . . 0.507 ' NE2' ' OE2' ' A' ' 89' ' ' GLU . 94.7 m-70 -63.25 138.27 58.48 Favored 'General case' 0 N--CA 1.488 1.463 0 O-C-N 121.267 -0.896 . . . . 0.0 108.889 179.674 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . 0.52 ' OE2' ' CZ ' ' A' ' 88' ' ' PHE . 98.1 mt-10 . . . . . 0 N--CA 1.496 1.865 0 CA-C-O 118.019 -0.991 . . . . 0.0 109.267 -179.838 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 0' ' ' MET . . . . . 0.484 ' C ' ' HG ' ' B' ' 1' ' ' SER . 96.8 mtp . . . . . 0 N--CA 1.489 1.493 0 CA-C-O 121.395 0.617 . . . . 0.0 109.416 . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 1' ' ' SER . . . . . 0.484 ' HG ' ' C ' ' B' ' 0' ' ' MET . 14.4 m -148.58 178.85 8.27 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.442 -0.786 . . . . 0.0 109.416 -179.555 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 95.0 mt-10 -59.97 -35.03 74.13 Favored 'General case' 0 N--CA 1.494 1.748 0 O-C-N 121.195 -0.941 . . . . 0.0 109.876 -179.914 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 7.6 tt -59.62 -44.48 93.44 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.279 -0.888 . . . . 0.0 109.641 -178.509 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 85.7 tt0 -61.02 -42.71 98.98 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.108 -0.995 . . . . 0.0 109.722 179.762 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 79.7 mttt -62.11 -40.03 94.51 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.262 -0.898 . . . . 0.0 109.813 -179.711 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -59.91 -40.05 87.5 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.3 -0.875 . . . . 0.0 109.889 -179.447 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 7' ' ' MET . . . . . . . . . . . . . 93.3 mtp -60.04 -40.77 90.54 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 120.998 -1.064 . . . . 0.0 109.096 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 54.4 t -69.6 -40.08 79.08 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.509 0 O-C-N 121.239 -0.913 . . . . 0.0 109.388 179.616 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -62.52 -40.45 96.79 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.274 -0.891 . . . . 0.0 110.79 -179.293 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 60.5 tp -60.04 -42.86 95.34 Favored 'General case' 0 N--CA 1.494 1.771 0 O-C-N 121.097 -1.002 . . . . 0.0 110.47 -179.366 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 11' ' ' ILE . . . . . 0.406 HG22 HD11 ' B' ' 11' ' ' ILE . 96.6 mt -66.1 -40.28 86.73 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.725 0 O-C-N 121.076 -1.015 . . . . 0.0 110.836 -178.931 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 96.3 m-20 -62.64 -41.99 99.34 Favored 'General case' 0 N--CA 1.496 1.826 0 O-C-N 121.006 -1.059 . . . . 0.0 110.961 -179.237 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 54.5 t -63.37 -40.01 87.42 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.749 0 O-C-N 121.095 -1.003 . . . . 0.0 110.053 -179.616 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 14' ' ' PHE . . . . . . . . . . . . . 62.3 t80 -60.02 -41.9 93.18 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.278 -0.889 . . . . 0.0 110.583 -179.058 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 48.3 t60 -65.09 -39.93 93.88 Favored 'General case' 0 N--CA 1.496 1.85 0 O-C-N 121.188 -0.945 . . . . 0.0 111.16 -178.946 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 67.9 mm-40 -60.03 -40.09 88.16 Favored 'General case' 0 N--CA 1.499 2.023 0 O-C-N 120.906 -1.121 . . . . 0.0 111.274 -178.538 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 7.9 m-85 -68.45 -35.94 78.31 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 120.844 -1.16 . . . . 0.0 109.982 -179.44 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 18' ' ' SER . . . . . 0.421 ' OG ' ' O ' ' B' ' 23' ' ' ASP . 5.1 t -60.03 -38.16 81.92 Favored 'General case' 0 C--N 1.299 -1.602 0 O-C-N 121.052 -1.03 . . . . 0.0 110.022 -179.324 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -75.02 6.78 25.64 Favored Glycine 0 N--CA 1.494 2.566 0 C-N-CA 120.249 -0.977 . . . . 0.0 111.279 -178.852 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 8.9 mmm180 -60.02 -50.06 75.21 Favored 'General case' 0 N--CA 1.498 1.959 0 O-C-N 120.542 -1.563 . . . . 0.0 109.65 -179.835 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 75.0 mm-40 -103.19 9.41 38.26 Favored 'General case' 0 N--CA 1.497 1.881 0 O-C-N 121.372 -0.83 . . . . 0.0 109.322 -179.849 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . 86.76 0.83 85.72 Favored Glycine 0 N--CA 1.491 2.306 0 N-CA-C 108.872 -1.691 . . . . 0.0 108.872 -179.449 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 23' ' ' ASP . . . . . 0.421 ' O ' ' OG ' ' B' ' 18' ' ' SER . 91.9 m-20 -84.62 82.46 8.41 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.435 -1.038 . . . . 0.0 108.894 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 9.6 mtmp? -86.65 91.0 8.45 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.224 -0.922 . . . . 0.0 109.148 -179.857 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 25' ' ' HIS . . . . . . . . . . . . . 3.2 t-160 -173.31 -60.46 0.02 OUTLIER 'General case' 0 N--CA 1.488 1.47 0 O-C-N 121.397 -0.815 . . . . 0.0 109.093 -179.939 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 45.1 pttt -148.82 160.09 43.55 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.45 -0.781 . . . . 0.0 109.248 -179.636 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 27' ' ' LEU . . . . . 0.427 ' N ' ' CD1' ' B' ' 27' ' ' LEU . 8.4 mp -98.67 135.72 39.77 Favored 'General case' 0 N--CA 1.499 2.013 0 O-C-N 121.266 -0.896 . . . . 0.0 109.637 -179.143 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 16.4 pttp -94.49 169.4 10.23 Favored 'General case' 0 N--CA 1.496 1.852 0 O-C-N 121.374 -0.829 . . . . 0.0 109.325 179.548 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 24.0 pttm -60.03 -35.4 75.01 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.327 -0.858 . . . . 0.0 110.809 -178.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 16.0 t -59.95 -41.97 93.03 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 120.772 -1.205 . . . . 0.0 108.737 -179.624 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -69.9 -32.6 71.01 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.182 -0.949 . . . . 0.0 109.184 178.421 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 14.1 tp -59.94 -40.04 87.59 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.355 -0.841 . . . . 0.0 109.312 -179.388 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 21.3 tptm -58.59 -46.39 87.07 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 120.909 -1.12 . . . . 0.0 109.278 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 53.2 tp10 -66.09 -44.42 84.47 Favored 'General case' 0 C--N 1.3 -1.561 0 O-C-N 121.04 -1.038 . . . . 0.0 109.754 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 5.3 tt -59.97 -49.97 75.6 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.302 -0.874 . . . . 0.0 111.142 -179.015 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 95.6 mt -61.17 -45.2 99.04 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.654 0 O-C-N 120.943 -1.098 . . . . 0.0 109.785 -179.222 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 21.0 t-20 -67.83 -43.66 79.06 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.066 -1.022 . . . . 0.0 109.978 -179.882 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 1.1 t30 -68.36 -40.03 81.61 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.481 -0.762 . . . . 0.0 110.968 -178.799 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 47.1 tp10 -80.0 -71.24 0.46 Allowed 'General case' 0 N--CA 1.493 1.675 0 O-C-N 120.933 -1.104 . . . . 0.0 110.597 -178.808 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 19.5 mt -100.95 126.95 47.63 Favored 'General case' 0 N--CA 1.495 1.801 0 O-C-N 121.423 -0.798 . . . . 0.0 109.96 -178.938 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 1.3 t -139.95 -46.64 0.44 Allowed 'General case' 0 N--CA 1.494 1.734 0 N-CA-C 108.445 -0.946 . . . . 0.0 108.445 178.802 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 42' ' ' HIS . . . . . 0.526 ' HD1' ' H ' ' B' ' 43' ' ' PHE . 0.4 OUTLIER -61.04 -41.83 97.32 Favored 'General case' 0 N--CA 1.487 1.422 0 O-C-N 121.553 -0.717 . . . . 0.0 109.528 179.732 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' B' B ' 43' ' ' PHE . . . . . 0.526 ' H ' ' HD1' ' B' ' 42' ' ' HIS . 65.1 m-85 -69.95 -40.03 75.69 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 120.992 -1.068 . . . . 0.0 109.261 179.652 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 50.4 mt -128.53 125.95 39.4 Favored 'General case' 0 N--CA 1.499 1.991 0 N-CA-C 109.117 -0.697 . . . . 0.0 109.117 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 15.2 pt-20 -147.49 15.35 1.12 Allowed 'General case' 0 N--CA 1.494 1.757 0 O-C-N 121.067 -1.021 . . . . 0.0 109.297 179.581 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 86.8 tt0 -87.7 -12.19 46.08 Favored 'General case' 0 N--CA 1.494 1.745 0 O-C-N 121.375 -0.828 . . . . 0.0 110.052 -179.625 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 91.9 mt -73.86 128.33 36.21 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.651 0 O-C-N 120.936 -1.103 . . . . 0.0 109.649 -179.722 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 86.3 tttt -149.55 -45.76 0.14 Allowed 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.296 -0.877 . . . . 0.0 109.457 179.419 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 41.8 mt-10 -85.28 148.12 26.21 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.188 -0.945 . . . . 0.0 110.214 -179.271 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 50' ' ' GLN . . . . . 0.623 ' NE2' ' H ' ' B' ' 50' ' ' GLN . 0.0 OUTLIER -69.69 -27.58 65.12 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.628 -0.67 . . . . 0.0 109.947 -179.781 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 37.8 tt0 -60.09 -40.01 88.12 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.347 -0.846 . . . . 0.0 109.896 -179.151 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 54.1 t -61.91 -43.06 96.94 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.552 0 O-C-N 121.126 -0.984 . . . . 0.0 109.836 -179.815 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 53.7 t -60.02 -40.0 81.92 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.624 0 O-C-N 121.142 -0.974 . . . . 0.0 109.832 -179.486 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 8.9 t70 -59.98 -45.15 93.62 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.111 -0.993 . . . . 0.0 109.98 -179.538 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 36.5 ttpt -60.1 -47.77 84.49 Favored 'General case' 0 C--N 1.302 -1.484 0 O-C-N 121.166 -0.959 . . . . 0.0 109.541 179.772 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 53.0 t -69.82 -41.03 79.66 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.492 0 O-C-N 121.252 -0.905 . . . . 0.0 109.357 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 57' ' ' MET . . . . . . . . . . . . . 15.9 tpt -60.35 -46.41 90.04 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.284 -0.885 . . . . 0.0 109.896 -179.635 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 42.2 tt0 -60.05 -40.08 88.2 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.292 -0.88 . . . . 0.0 109.982 -179.264 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 92.1 m -63.26 -40.12 96.51 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.229 -0.92 . . . . 0.0 109.828 -179.283 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 5.9 tp -81.31 -14.67 57.08 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.277 -0.89 . . . . 0.0 110.005 -179.691 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 61' ' ' ASP . . . . . 0.513 ' OD1' ' N ' ' B' ' 64' ' ' GLY . 60.6 t0 -79.14 98.01 6.4 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 120.794 -1.191 . . . . 0.0 109.66 -179.45 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 86.8 tt0 -83.07 -28.67 29.39 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.41 -0.806 . . . . 0.0 109.419 179.803 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 69.5 m-20 -88.12 -8.9 54.76 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.255 -0.903 . . . . 0.0 109.73 -179.405 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 64' ' ' GLY . . . . . 0.513 ' N ' ' OD1' ' B' ' 61' ' ' ASP . . . 61.33 16.46 49.49 Favored Glycine 0 N--CA 1.489 2.217 0 N-CA-C 109.364 -1.494 . . . . 0.0 109.364 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 37.8 p-10 -90.56 -3.99 57.19 Favored 'General case' 0 N--CA 1.494 1.753 0 O-C-N 121.261 -1.14 . . . . 0.0 109.891 -179.785 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 69.99 30.34 70.12 Favored Glycine 0 N--CA 1.493 2.481 0 C-N-CA 119.978 -1.106 . . . . 0.0 110.395 179.079 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 98.1 mt-10 -134.78 148.1 50.14 Favored 'General case' 0 N--CA 1.498 1.929 0 O-C-N 121.167 -1.196 . . . . 0.0 109.469 -179.786 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 68' ' ' CYS . . . . . . . . . . . . . 8.0 t -104.47 114.74 29.17 Favored 'General case' 0 N--CA 1.499 2.0 0 O-C-N 121.383 -0.823 . . . . 0.0 109.57 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 89.6 m-20 -89.15 167.63 12.96 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.339 -0.851 . . . . 0.0 109.516 179.873 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 58.1 t80 -59.99 -46.03 90.8 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.196 -0.94 . . . . 0.0 109.186 179.637 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 8.0 tt0 -60.12 -46.03 91.0 Favored 'General case' 0 N--CA 1.49 1.559 0 N-CA-C 108.497 -0.927 . . . . 0.0 108.497 179.375 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 99.2 mt-10 -62.55 -39.39 93.46 Favored 'General case' 0 C--N 1.303 -1.429 0 CA-C-O 121.431 0.634 . . . . 0.0 109.557 -179.898 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 73' ' ' PHE . . . . . . . . . . . . . 58.6 t80 -60.03 -40.81 90.64 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.425 -0.797 . . . . 0.0 109.736 -179.541 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 74' ' ' MET . . . . . . . . . . . . . 21.6 ttm -60.07 -38.19 82.13 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.259 -0.901 . . . . 0.0 109.702 179.474 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -58.83 -40.04 83.02 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.262 -0.899 . . . . 0.0 109.879 -179.063 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 66.2 t80 -60.02 -48.12 83.03 Favored 'General case' 0 C--N 1.302 -1.46 0 O-C-N 120.935 -1.103 . . . . 0.0 108.841 179.563 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 77' ' ' VAL . . . . . . . . . . . . . 84.2 t -61.01 -38.68 80.04 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.528 0 O-C-N 121.711 -0.618 . . . . 0.0 109.568 179.344 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 78' ' ' SER . . . . . . . . . . . . . 18.5 t -58.65 -39.94 82.04 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.203 -0.936 . . . . 0.0 110.4 -178.832 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 79' ' ' MET . . . . . . . . . . . . . 53.6 mtt -60.14 -39.91 87.97 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 120.951 -1.093 . . . . 0.0 110.017 -179.542 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 97.1 t -68.49 -40.05 81.55 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.517 0 O-C-N 120.924 -1.11 . . . . 0.0 109.881 -179.813 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 81' ' ' THR . . . . . 0.514 ' O ' ' SG ' ' B' ' 84' ' ' CYS . 61.5 p -68.22 -39.94 82.23 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 121.174 -0.954 . . . . 0.0 110.6 -179.352 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 30.0 p -60.1 -39.54 86.51 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 120.73 -1.231 . . . . 0.0 109.408 -179.769 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -61.43 -29.04 69.69 Favored 'General case' 0 C--N 1.299 -1.593 0 O-C-N 121.487 -0.758 . . . . 0.0 109.818 -179.839 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 84' ' ' CYS . . . . . 0.514 ' SG ' ' O ' ' B' ' 81' ' ' THR . 1.8 p -66.67 138.89 57.75 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.119 -0.988 . . . . 0.0 110.127 -179.308 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 85' ' ' HIS . . . . . 0.516 ' O ' ' ND1' ' B' ' 85' ' ' HIS . 39.8 t-80 -108.27 25.22 11.9 Favored 'General case' 0 N--CA 1.499 1.998 0 O-C-N 121.588 -0.695 . . . . 0.0 109.236 179.663 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 86' ' ' GLU . . . . . 0.459 ' CB ' ' O ' ' B' ' 85' ' ' HIS . 7.0 tm-20 76.98 -27.91 0.18 Allowed 'General case' 0 N--CA 1.496 1.852 0 O-C-N 121.494 -0.754 . . . . 0.0 109.276 -179.646 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 87' ' ' PHE . . . . . 0.511 ' O ' ' CD2' ' B' ' 87' ' ' PHE . 61.2 t80 -87.4 -8.97 55.96 Favored 'General case' 0 N--CA 1.49 1.569 0 N-CA-C 108.409 -0.959 . . . . 0.0 108.409 179.098 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 88' ' ' PHE . . . . . 0.511 ' CZ ' ' OE2' ' B' ' 91' ' ' GLU . 38.7 t80 -71.75 86.68 0.95 Allowed 'General case' 0 N--CA 1.487 1.42 0 N-CA-C 109.036 -0.728 . . . . 0.0 109.036 -179.869 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 89' ' ' GLU . . . . . 0.516 ' OE2' ' NE2' ' B' ' 90' ' ' HIS . 39.4 tt0 -142.72 -93.27 0.12 Allowed 'General case' 0 N--CA 1.496 1.844 0 N-CA-C 108.47 -0.937 . . . . 0.0 108.47 179.932 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 90' ' ' HIS . . . . . 0.516 ' NE2' ' OE2' ' B' ' 89' ' ' GLU . 89.9 m-70 -60.93 140.01 57.86 Favored 'General case' 0 N--CA 1.488 1.454 0 O-C-N 121.046 -1.034 . . . . 0.0 109.167 179.276 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 91' ' ' GLU . . . . . 0.511 ' OE2' ' CZ ' ' B' ' 88' ' ' PHE . 98.3 mt-10 . . . . . 0 N--CA 1.496 1.831 0 CA-C-O 118.072 -0.966 . . . . 0.0 109.248 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 92' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 93' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' B' B ' 92' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' B' B ' 93' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 29.2 t . . . . . 0 N--CA 1.49 1.539 0 CA-C-O 121.531 0.682 . . . . 0.0 109.759 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 13.6 tm-20 -60.03 -36.15 76.65 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.604 -0.685 . . . . 0.0 109.932 -179.72 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 3' ' ' LEU . . . . . 0.501 ' CD2' ' N ' ' A' ' 3' ' ' LEU . 3.2 mm? -59.11 -39.07 81.12 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.319 -0.863 . . . . 0.0 109.799 -179.02 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 70.8 mm-40 -60.0 -40.41 89.13 Favored 'General case' 0 C--N 1.301 -1.543 0 O-C-N 120.799 -1.188 . . . . 0.0 109.359 -179.739 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 38.6 ttpt -69.97 -40.03 75.62 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 120.987 -1.07 . . . . 0.0 109.984 179.37 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -69.59 -40.49 76.67 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.3 -0.875 . . . . 0.0 110.097 -179.14 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 6.7 mmt -61.47 -40.44 94.55 Favored 'General case' 0 N--CA 1.486 1.363 0 O-C-N 121.044 -1.035 . . . . 0.0 108.766 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 79.3 t -69.92 -41.98 79.64 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.442 0 O-C-N 121.423 -0.798 . . . . 0.0 109.536 179.44 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -66.42 -42.42 87.79 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.309 -0.869 . . . . 0.0 110.33 -179.333 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 63.4 tp -60.0 -50.04 75.31 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.043 -1.036 . . . . 0.0 109.256 -179.935 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 93.4 mt -70.3 -40.84 78.35 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.593 0 O-C-N 121.268 -0.895 . . . . 0.0 110.551 179.865 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 62.2 t0 -60.05 -47.57 85.32 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.347 -0.845 . . . . 0.0 110.73 -178.584 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 54.3 t -60.2 -42.52 90.57 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.523 0 O-C-N 121.091 -1.006 . . . . 0.0 110.049 -178.812 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 64.9 t80 -59.95 -44.86 94.14 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.141 -0.974 . . . . 0.0 110.665 -179.545 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 11.0 t-80 -63.85 -52.12 61.54 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.022 -1.049 . . . . 0.0 110.544 -178.956 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 80.1 mt-30 -69.96 -40.05 75.64 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.379 -0.825 . . . . 0.0 111.301 -178.859 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 24.0 t80 -69.92 -43.44 71.65 Favored 'General case' 0 N--CA 1.495 1.793 0 O-C-N 121.007 -1.058 . . . . 0.0 110.586 -178.468 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 54.3 p -75.02 -19.92 59.84 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.274 -0.891 . . . . 0.0 110.235 -179.415 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -77.29 -2.3 78.56 Favored Glycine 0 N--CA 1.493 2.468 0 C-N-CA 120.111 -1.043 . . . . 0.0 110.841 -178.752 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' ARG . . . . . 0.543 ' NH2' ' OE1' ' A' ' 34' ' ' GLU . 38.9 ttp180 -60.01 -41.75 92.83 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 120.825 -1.397 . . . . 0.0 109.636 -179.673 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.452 ' OE1' ' N ' ' A' ' 21' ' ' GLU . 3.1 mp0 -100.97 164.98 11.56 Favored 'General case' 0 N--CA 1.495 1.803 0 O-C-N 121.31 -0.869 . . . . 0.0 109.497 -179.499 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -55.76 -16.6 12.32 Favored Glycine 0 N--CA 1.491 2.312 0 N-CA-C 109.628 -1.389 . . . . 0.0 109.628 179.895 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 74.1 m-20 -85.15 104.54 15.13 Favored 'General case' 0 N--CA 1.494 1.757 0 O-C-N 121.184 -1.186 . . . . 0.0 108.716 179.822 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 8.9 ptpp? -107.81 -16.78 14.24 Favored 'General case' 0 N--CA 1.497 1.91 0 O-C-N 121.48 -0.762 . . . . 0.0 110.369 -179.574 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 2.4 t60 -99.96 -7.15 25.5 Favored 'General case' 0 N--CA 1.499 1.979 0 O-C-N 121.148 -0.97 . . . . 0.0 111.436 -178.481 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 40.8 pttt -149.35 160.0 43.79 Favored 'General case' 0 N--CA 1.5 2.034 0 O-C-N 120.654 -1.279 . . . . 0.0 110.55 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 1.5 tp -106.06 135.38 47.63 Favored 'General case' 0 N--CA 1.499 1.996 0 N-CA-C 108.996 -0.742 . . . . 0.0 108.996 -179.477 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 37.4 mmtm -94.84 166.42 11.99 Favored 'General case' 0 N--CA 1.499 2.0 0 O-C-N 121.229 -0.919 . . . . 0.0 110.8 -179.324 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 34.6 mttp -60.99 -41.16 95.95 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.805 -0.56 . . . . 0.0 110.922 -178.671 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 71.7 p -67.17 -40.44 86.6 Favored 'General case' 0 N--CA 1.495 1.799 0 O-C-N 121.052 -1.03 . . . . 0.0 110.462 -178.43 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 39.6 tt0 -61.76 -36.54 81.34 Favored 'General case' 0 C--N 1.3 -1.565 0 O-C-N 121.107 -0.996 . . . . 0.0 109.455 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 56.2 tp -59.92 -43.62 94.81 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.231 -0.918 . . . . 0.0 109.809 -179.343 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 24.4 ttpp -60.18 -41.89 93.85 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 120.926 -1.109 . . . . 0.0 109.276 179.597 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 34' ' ' GLU . . . . . 0.543 ' OE1' ' NH2' ' A' ' 20' ' ' ARG . 98.8 mt-10 -62.25 -40.09 95.02 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.38 -0.825 . . . . 0.0 110.402 -179.722 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 42.1 tp -59.92 -48.71 80.58 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.172 -0.955 . . . . 0.0 109.179 -178.521 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 88.4 mt -65.38 -39.98 86.95 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.554 0 O-C-N 121.196 -0.94 . . . . 0.0 109.386 179.714 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 48.1 t-20 -69.27 -23.21 63.81 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.439 -0.788 . . . . 0.0 110.758 -179.324 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 1.1 t30 -48.93 -75.76 0.03 OUTLIER 'General case' 0 N--CA 1.494 1.765 0 O-C-N 120.888 -1.133 . . . . 0.0 110.006 -178.937 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 25.0 tp10 -163.04 19.7 0.08 Allowed 'General case' 0 N--CA 1.493 1.686 0 O-C-N 120.877 -1.139 . . . . 0.0 109.367 179.821 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 85.0 mt -91.91 8.12 38.91 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.116 -0.99 . . . . 0.0 108.832 -179.729 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 41' ' ' SER . . . . . 0.412 ' O ' ' O ' ' A' ' 44' ' ' LEU . 83.8 p -60.31 -13.64 13.98 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.615 -0.678 . . . . 0.0 110.036 -179.642 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 38.4 t-80 -59.95 -47.7 84.73 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.031 -1.043 . . . . 0.0 109.641 -179.67 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 85.7 m-85 -70.04 -39.97 75.43 Favored 'General case' 0 N--CA 1.488 1.457 0 O-C-N 121.22 -0.925 . . . . 0.0 109.583 179.899 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.412 ' O ' ' O ' ' A' ' 41' ' ' SER . 66.6 mt -123.78 130.08 52.07 Favored 'General case' 0 N--CA 1.502 2.16 0 O-C-N 121.564 -0.71 . . . . 0.0 109.557 -179.471 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 57.0 tt0 -130.36 26.8 5.09 Favored 'General case' 0 N--CA 1.503 2.181 0 O-C-N 121.139 -0.975 . . . . 0.0 109.049 179.599 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 6.2 tp10 -101.69 12.91 36.33 Favored 'General case' 0 N--CA 1.501 2.084 0 O-C-N 121.3 -0.875 . . . . 0.0 110.649 -179.043 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 40.3 mm -73.75 127.8 35.83 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.797 0 O-C-N 120.621 -1.299 . . . . 0.0 109.66 -179.416 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -159.0 -61.07 0.07 Allowed 'General case' 0 N--CA 1.496 1.869 0 N-CA-C 108.764 -0.828 . . . . 0.0 108.764 179.504 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -100.71 153.87 19.08 Favored 'General case' 0 N--CA 1.495 1.78 0 O-C-N 121.324 -0.86 . . . . 0.0 108.741 179.303 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 59.4 mt-30 -60.07 -28.05 67.48 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.317 -0.865 . . . . 0.0 110.504 -179.559 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 1.6 pp20? -59.99 -33.08 71.47 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.017 -1.052 . . . . 0.0 110.156 -179.024 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 54.4 t -59.98 -46.76 93.71 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.651 0 O-C-N 121.023 -1.048 . . . . 0.0 109.172 -179.762 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 54.6 t -60.12 -45.53 95.65 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.497 0 O-C-N 121.274 -0.891 . . . . 0.0 109.066 179.764 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 63.0 t0 -61.38 -46.72 89.0 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.39 -0.819 . . . . 0.0 109.974 -179.714 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 34.9 tttm -60.14 -43.21 95.89 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.129 -0.982 . . . . 0.0 108.895 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 52.1 t -69.6 -39.98 78.97 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.568 0 O-C-N 121.659 -0.651 . . . . 0.0 110.115 179.765 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 57' ' ' MET . . . . . 0.461 ' O ' HD23 ' A' ' 60' ' ' LEU . 27.3 ttt -59.96 -40.08 87.84 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.249 -0.907 . . . . 0.0 109.888 -178.601 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 86.1 tt0 -63.03 -35.07 79.01 Favored 'General case' 0 C--N 1.298 -1.636 0 O-C-N 121.024 -1.047 . . . . 0.0 109.851 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 59.9 m -60.03 -45.23 93.48 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.318 -0.864 . . . . 0.0 111.376 -177.997 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.461 HD23 ' O ' ' A' ' 57' ' ' MET . 0.3 OUTLIER -81.71 -8.52 59.71 Favored 'General case' 0 N--CA 1.502 2.166 0 O-C-N 120.583 -1.323 . . . . 0.0 110.266 -179.212 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 61' ' ' ASP . . . . . 0.417 ' N ' HD23 ' A' ' 60' ' ' LEU . 79.8 m-20 -76.42 118.17 18.83 Favored 'General case' 0 N--CA 1.495 1.792 0 O-C-N 120.978 -1.076 . . . . 0.0 109.626 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 67.2 mm-40 -94.92 -42.79 8.49 Favored 'General case' 0 N--CA 1.496 1.87 0 O-C-N 121.263 -0.898 . . . . 0.0 109.945 -179.812 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 43.4 p-10 -101.88 0.97 36.39 Favored 'General case' 0 N--CA 1.497 1.908 0 O-C-N 121.339 -0.85 . . . . 0.0 110.062 -179.441 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 49.71 51.48 28.25 Favored Glycine 0 N--CA 1.492 2.393 0 N-CA-C 109.337 -1.505 . . . . 0.0 109.337 179.829 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 38.5 p-10 -84.76 -6.98 59.37 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.242 -1.152 . . . . 0.0 110.219 -179.335 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 88.9 -7.27 82.52 Favored Glycine 0 N--CA 1.494 2.564 0 N-CA-C 109.845 -1.302 . . . . 0.0 109.845 179.618 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 21.4 pt-20 -139.77 159.09 42.96 Favored 'General case' 0 N--CA 1.495 1.79 0 O-C-N 121.148 -1.207 . . . . 0.0 108.775 -179.847 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -112.69 112.99 24.89 Favored 'General case' 0 N--CA 1.499 1.995 0 O-C-N 121.421 -0.799 . . . . 0.0 109.722 -179.298 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 90.1 m-20 -90.54 -177.36 5.02 Favored 'General case' 0 N--CA 1.495 1.782 0 O-C-N 121.513 -0.742 . . . . 0.0 109.436 179.548 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 66.9 t80 -59.99 -40.28 88.66 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.41 -0.806 . . . . 0.0 110.712 -179.642 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 1.5 tm0? -59.96 -43.84 94.8 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.005 -1.059 . . . . 0.0 109.793 -179.716 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 69.6 mt-10 -64.86 -35.31 80.71 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.088 -1.007 . . . . 0.0 110.104 -179.813 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 50.2 t80 -58.48 -40.01 81.56 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.171 -0.956 . . . . 0.0 109.261 -179.685 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 91.2 mmm -59.98 -38.31 82.17 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.11 -0.994 . . . . 0.0 109.125 179.306 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -58.34 -40.1 81.24 Favored 'General case' 0 N--CA 1.488 1.453 0 O-C-N 121.293 -0.879 . . . . 0.0 109.576 -179.322 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 70.8 t80 -60.04 -40.01 87.9 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.045 -1.035 . . . . 0.0 109.971 179.514 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 61.1 t -59.99 -42.44 89.58 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.506 0 O-C-N 121.121 -0.987 . . . . 0.0 108.845 -179.892 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 81.1 p -61.14 -39.28 89.45 Favored 'General case' 0 N--CA 1.488 1.439 0 O-C-N 121.36 -0.838 . . . . 0.0 108.936 179.036 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 49.3 ttm -60.03 -40.24 88.67 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.65 -0.656 . . . . 0.0 110.498 -179.429 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 64.6 t -67.41 -41.27 86.03 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.666 0 O-C-N 120.936 -1.103 . . . . 0.0 110.278 -179.21 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 81.8 p -69.14 -41.71 76.96 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.061 -1.024 . . . . 0.0 110.772 -178.734 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 82.6 p -71.22 -40.06 71.33 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.087 -1.008 . . . . 0.0 109.74 -179.899 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -69.94 -40.04 75.71 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.327 -0.858 . . . . 0.0 110.68 -179.653 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 15.5 p -67.71 146.61 53.62 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.153 -0.967 . . . . 0.0 110.317 -178.872 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 76.6 m80 -82.22 162.58 22.31 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.469 -0.769 . . . . 0.0 109.824 179.703 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 86' ' ' GLU . . . . . 0.533 ' C ' ' H ' ' A' ' 88' ' ' PHE . 99.2 mt-10 -89.43 -0.08 57.23 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.38 -0.825 . . . . 0.0 109.229 179.746 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 34.4 t80 -67.47 17.44 0.03 OUTLIER 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.318 -0.864 . . . . 0.0 110.052 -179.492 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 88' ' ' PHE . . . . . 0.533 ' H ' ' C ' ' A' ' 86' ' ' GLU . 7.6 m-85 . . . . . 0 N--CA 1.492 1.656 0 O-C-N 121.067 -1.021 . . . . 0.0 109.006 179.49 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 31.2 t . . . . . 0 N--CA 1.489 1.484 0 CA-C-O 121.572 0.701 . . . . 0.0 109.596 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 13.6 tm-20 -60.0 -36.45 77.23 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.517 -0.739 . . . . 0.0 109.867 -179.735 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 3' ' ' LEU . . . . . 0.484 ' CD2' ' N ' ' B' ' 3' ' ' LEU . 3.3 mm? -58.71 -39.25 80.28 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.455 -0.778 . . . . 0.0 109.915 -178.994 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 70.3 mm-40 -59.99 -40.57 89.62 Favored 'General case' 0 C--N 1.3 -1.549 0 O-C-N 120.755 -1.216 . . . . 0.0 109.346 -179.867 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 38.8 ttpt -69.98 -39.97 75.62 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 120.875 -1.141 . . . . 0.0 109.903 179.501 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -69.63 -40.14 76.74 Favored 'General case' 0 N--CA 1.494 1.736 0 O-C-N 121.193 -0.942 . . . . 0.0 110.13 -179.241 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 7' ' ' MET . . . . . . . . . . . . . 6.8 mmt -61.87 -40.22 94.62 Favored 'General case' 0 C--N 1.303 -1.418 0 O-C-N 121.126 -0.983 . . . . 0.0 108.749 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 53.1 t -70.14 -42.05 79.09 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.392 0 O-C-N 121.537 -0.727 . . . . 0.0 109.489 179.419 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -66.69 -42.27 86.76 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.205 -0.934 . . . . 0.0 110.256 -179.34 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 61.9 tp -59.98 -50.07 75.21 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.047 -1.033 . . . . 0.0 109.268 -179.926 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 93.2 mt -70.01 -41.09 79.23 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.681 0 O-C-N 121.299 -0.876 . . . . 0.0 110.549 179.683 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 62.1 t0 -59.99 -47.35 86.19 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.181 -0.95 . . . . 0.0 110.835 -178.641 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 58.7 t -60.31 -42.51 90.92 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.526 0 O-C-N 121.179 -0.951 . . . . 0.0 110.055 -178.861 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 14' ' ' PHE . . . . . . . . . . . . . 63.9 t80 -60.07 -44.56 94.66 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.03 -1.044 . . . . 0.0 110.591 -179.536 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 11.0 t-80 -64.04 -52.21 60.49 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.07 -1.019 . . . . 0.0 110.475 -178.97 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 81.1 mt-30 -69.98 -39.95 75.65 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.275 -0.891 . . . . 0.0 111.292 -178.829 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 24.3 t80 -69.59 -43.68 72.31 Favored 'General case' 0 N--CA 1.495 1.78 0 O-C-N 121.04 -1.038 . . . . 0.0 110.572 -178.594 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 53.6 p -74.97 -20.0 59.85 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.213 -0.929 . . . . 0.0 110.292 -179.174 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -77.51 -2.07 78.74 Favored Glycine 0 N--CA 1.49 2.265 0 C-N-CA 120.086 -1.054 . . . . 0.0 110.937 -178.867 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 20' ' ' ARG . . . . . 0.539 ' NH2' ' OE1' ' B' ' 34' ' ' GLU . 38.9 ttp180 -60.05 -41.8 93.11 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 120.735 -1.45 . . . . 0.0 109.627 -179.826 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 21' ' ' GLU . . . . . 0.429 ' OE1' ' N ' ' B' ' 21' ' ' GLU . 3.2 mp0 -100.42 165.64 11.35 Favored 'General case' 0 N--CA 1.496 1.862 0 O-C-N 121.327 -0.858 . . . . 0.0 109.486 -179.489 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . -56.34 -16.76 16.0 Favored Glycine 0 N--CA 1.489 2.2 0 N-CA-C 109.556 -1.418 . . . . 0.0 109.556 179.755 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 74.6 m-20 -85.12 104.97 15.49 Favored 'General case' 0 N--CA 1.494 1.756 0 O-C-N 121.076 -1.249 . . . . 0.0 108.77 179.772 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 8.8 ptpp? -108.37 -16.36 14.25 Favored 'General case' 0 N--CA 1.498 1.926 0 O-C-N 121.611 -0.681 . . . . 0.0 110.237 -179.616 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 25' ' ' HIS . . . . . . . . . . . . . 2.5 t60 -99.93 -7.43 25.22 Favored 'General case' 0 N--CA 1.501 2.098 0 O-C-N 121.218 -0.926 . . . . 0.0 111.45 -178.617 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 40.8 pttt -149.33 160.02 43.77 Favored 'General case' 0 N--CA 1.499 1.983 0 O-C-N 120.533 -1.354 . . . . 0.0 110.526 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 1.3 tp -106.36 135.39 47.93 Favored 'General case' 0 N--CA 1.497 1.908 0 N-CA-C 108.818 -0.808 . . . . 0.0 108.818 -179.29 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 37.5 mmtm -94.64 167.17 11.63 Favored 'General case' 0 N--CA 1.499 2.012 0 O-C-N 121.212 -0.93 . . . . 0.0 110.798 -179.179 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 35.7 mttp -61.52 -41.22 97.0 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.86 -0.525 . . . . 0.0 110.93 -178.655 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 63.2 p -67.23 -40.49 86.36 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 121.145 -0.972 . . . . 0.0 110.49 -178.476 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 41.3 tt0 -61.91 -36.47 81.41 Favored 'General case' 0 C--N 1.302 -1.459 0 O-C-N 121.092 -1.005 . . . . 0.0 109.368 -179.868 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 57.8 tp -60.01 -43.28 95.32 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.179 -0.951 . . . . 0.0 109.871 -179.432 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 24.4 ttpp -59.96 -42.14 93.42 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 120.965 -1.084 . . . . 0.0 109.224 179.528 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 34' ' ' GLU . . . . . 0.539 ' OE1' ' NH2' ' B' ' 20' ' ' ARG . 97.6 mt-10 -62.22 -39.99 94.64 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.454 -0.779 . . . . 0.0 110.624 -179.704 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 36.1 tp -60.05 -48.84 80.06 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.152 -0.967 . . . . 0.0 109.135 -178.8 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 91.5 mt -65.03 -39.9 87.22 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.549 0 O-C-N 121.169 -0.957 . . . . 0.0 109.443 179.864 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 48.2 t-20 -69.73 -22.89 63.34 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.409 -0.807 . . . . 0.0 110.774 -179.293 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 1.1 t30 -49.07 -75.6 0.03 OUTLIER 'General case' 0 N--CA 1.493 1.714 0 O-C-N 120.81 -1.181 . . . . 0.0 109.887 -179.048 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 24.7 tp10 -163.38 19.95 0.08 Allowed 'General case' 0 N--CA 1.493 1.702 0 O-C-N 120.989 -1.069 . . . . 0.0 109.365 179.845 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 87.5 mt -91.87 7.98 39.45 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.016 -1.052 . . . . 0.0 108.808 -179.895 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 41' ' ' SER . . . . . 0.429 ' O ' ' O ' ' B' ' 44' ' ' LEU . 81.8 p -60.15 -13.6 12.95 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.644 -0.66 . . . . 0.0 109.998 -179.498 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 42' ' ' HIS . . . . . . . . . . . . . 38.0 t-80 -60.0 -47.57 85.28 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.083 -1.01 . . . . 0.0 109.652 -179.693 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 86.1 m-85 -70.07 -39.93 75.34 Favored 'General case' 0 C--N 1.302 -1.464 0 O-C-N 121.285 -0.885 . . . . 0.0 109.573 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 44' ' ' LEU . . . . . 0.429 ' O ' ' O ' ' B' ' 41' ' ' SER . 53.2 mt -124.16 130.36 52.4 Favored 'General case' 0 N--CA 1.502 2.13 0 O-C-N 121.55 -0.719 . . . . 0.0 109.488 -179.748 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 56.7 tt0 -129.98 26.34 5.22 Favored 'General case' 0 N--CA 1.502 2.141 0 O-C-N 121.233 -0.917 . . . . 0.0 108.941 179.674 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 6.4 tp10 -101.46 13.04 36.21 Favored 'General case' 0 N--CA 1.5 2.068 0 O-C-N 121.245 -0.909 . . . . 0.0 110.778 -178.916 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 40.3 mm -73.88 127.96 36.01 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.815 0 O-C-N 120.628 -1.295 . . . . 0.0 109.652 -179.288 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -159.01 -60.66 0.07 Allowed 'General case' 0 N--CA 1.496 1.832 0 O-C-N 121.346 -0.846 . . . . 0.0 108.95 179.418 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -101.3 154.36 18.85 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.162 -0.961 . . . . 0.0 108.477 179.471 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 58.7 mt-30 -60.16 -28.67 68.11 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.163 -0.96 . . . . 0.0 110.479 -179.491 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 1.6 pp20? -59.33 -33.3 70.97 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.117 -0.989 . . . . 0.0 110.263 -179.142 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 54.5 t -60.0 -46.9 93.58 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.615 0 O-C-N 120.918 -1.113 . . . . 0.0 109.106 -179.652 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 53.9 t -60.19 -45.02 96.56 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.445 0 O-C-N 121.246 -0.909 . . . . 0.0 109.311 179.827 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 62.8 t0 -61.6 -46.69 88.76 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.276 -0.89 . . . . 0.0 109.965 -179.731 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 32.0 tttm -60.19 -43.0 96.26 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.207 -0.933 . . . . 0.0 108.928 179.821 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 54.6 t -69.74 -39.89 78.51 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.59 0 O-C-N 121.656 -0.652 . . . . 0.0 109.911 179.788 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 57' ' ' MET . . . . . 0.459 ' O ' HD23 ' B' ' 60' ' ' LEU . 27.2 ttt -60.1 -39.99 88.07 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.161 -0.962 . . . . 0.0 110.102 -178.54 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 87.3 tt0 -63.36 -34.84 78.59 Favored 'General case' 0 C--N 1.296 -1.726 0 O-C-N 121.183 -0.948 . . . . 0.0 109.725 -179.931 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 62.5 m -60.0 -45.31 93.17 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.177 -0.952 . . . . 0.0 111.291 -178.138 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 60' ' ' LEU . . . . . 0.459 HD23 ' O ' ' B' ' 57' ' ' MET . 0.3 OUTLIER -81.59 -8.8 59.76 Favored 'General case' 0 N--CA 1.501 2.084 0 O-C-N 120.466 -1.396 . . . . 0.0 110.339 -179.167 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' B' B ' 61' ' ' ASP . . . . . 0.406 ' N ' HD23 ' B' ' 60' ' ' LEU . 79.1 m-20 -76.38 118.43 19.06 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 120.856 -1.153 . . . . 0.0 109.574 -179.915 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 67.4 mm-40 -95.09 -42.24 8.7 Favored 'General case' 0 N--CA 1.495 1.778 0 O-C-N 121.293 -0.879 . . . . 0.0 110.016 -179.688 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 43.6 p-10 -102.43 1.55 35.44 Favored 'General case' 0 N--CA 1.496 1.859 0 O-C-N 121.342 -0.849 . . . . 0.0 110.171 -179.658 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 48.86 52.39 21.33 Favored Glycine 0 N--CA 1.492 2.384 0 N-CA-C 109.463 -1.455 . . . . 0.0 109.463 179.867 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 38.0 p-10 -85.46 -6.77 59.17 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.273 -1.134 . . . . 0.0 110.149 -179.236 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 88.92 -7.67 81.56 Favored Glycine 0 N--CA 1.494 2.548 0 N-CA-C 109.72 -1.352 . . . . 0.0 109.72 179.696 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 21.5 pt-20 -139.61 159.58 41.84 Favored 'General case' 0 N--CA 1.495 1.819 0 O-C-N 121.227 -1.161 . . . . 0.0 109.004 -179.871 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 68' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -113.12 112.78 24.4 Favored 'General case' 0 N--CA 1.5 2.036 0 O-C-N 121.498 -0.751 . . . . 0.0 109.799 -179.273 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 90.1 m-20 -90.03 -177.48 5.19 Favored 'General case' 0 N--CA 1.494 1.725 0 O-C-N 121.529 -0.732 . . . . 0.0 109.505 179.489 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 69.7 t80 -59.98 -40.34 88.8 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.397 -0.814 . . . . 0.0 110.58 -179.653 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 1.5 tm0? -60.04 -43.4 95.36 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 120.956 -1.09 . . . . 0.0 109.787 -179.635 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 71.8 mt-10 -65.45 -35.12 79.96 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.103 -0.998 . . . . 0.0 109.991 -179.632 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 73' ' ' PHE . . . . . . . . . . . . . 49.3 t80 -58.54 -40.01 81.78 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.062 -1.024 . . . . 0.0 109.257 -179.869 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 74' ' ' MET . . . . . . . . . . . . . 92.2 mmm -60.06 -37.91 81.27 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.154 -0.966 . . . . 0.0 108.941 179.225 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -58.51 -39.99 81.64 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.27 -0.894 . . . . 0.0 109.66 -179.513 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 69.9 t80 -60.04 -40.09 88.17 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.014 -1.054 . . . . 0.0 109.962 179.421 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 77' ' ' VAL . . . . . . . . . . . . . 57.8 t -60.02 -42.1 88.54 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.461 0 O-C-N 121.229 -0.919 . . . . 0.0 108.971 -179.667 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 78' ' ' SER . . . . . . . . . . . . . 80.6 p -61.81 -39.0 90.22 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.398 -0.814 . . . . 0.0 108.945 179.048 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 79' ' ' MET . . . . . . . . . . . . . 50.5 ttm -59.96 -40.19 88.19 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.612 -0.68 . . . . 0.0 110.393 -179.647 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 58.6 t -67.37 -41.95 86.9 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.696 0 O-C-N 121.066 -1.021 . . . . 0.0 110.324 -179.006 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 82.3 p -68.68 -42.16 78.23 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.131 -0.981 . . . . 0.0 110.63 -178.724 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 82.6 p -71.07 -40.02 71.84 Favored 'General case' 0 N--CA 1.489 1.475 0 O-C-N 121.077 -1.014 . . . . 0.0 109.814 -179.614 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -69.93 -39.99 75.8 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.38 -0.825 . . . . 0.0 110.481 -179.66 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 84' ' ' CYS . . . . . . . . . . . . . 14.9 p -67.76 146.34 53.84 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.046 -1.033 . . . . 0.0 110.489 -178.92 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 85' ' ' HIS . . . . . . . . . . . . . 76.2 m80 -81.95 162.27 22.76 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.508 -0.745 . . . . 0.0 109.91 179.855 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 86' ' ' GLU . . . . . 0.531 ' C ' ' H ' ' B' ' 88' ' ' PHE . 98.7 mt-10 -89.23 -0.24 57.3 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 121.321 -0.862 . . . . 0.0 109.248 179.689 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 87' ' ' PHE . . . . . . . . . . . . . 34.5 t80 -67.19 16.94 0.03 OUTLIER 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.303 -0.873 . . . . 0.0 110.09 -179.499 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 88' ' ' PHE . . . . . 0.531 ' H ' ' C ' ' B' ' 86' ' ' GLU . 7.3 m-85 . . . . . 0 N--CA 1.492 1.63 0 O-C-N 121.026 -1.046 . . . . 0.0 108.994 179.664 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 34.0 t . . . . . 0 N--CA 1.498 1.962 0 N-CA-C 109.437 -0.579 . . . . 0.0 109.437 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -60.07 -40.04 88.11 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.276 -0.89 . . . . 0.0 110.183 -179.891 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 3' ' ' LEU . . . . . 0.494 HD11 HG11 ' B' ' 13' ' ' VAL . 27.7 mt -61.16 -42.29 98.3 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.021 -1.049 . . . . 0.0 109.318 179.826 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -60.08 -46.33 89.92 Favored 'General case' 0 C--N 1.303 -1.441 0 O-C-N 121.328 -0.857 . . . . 0.0 109.414 -179.432 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 64.2 tttm -64.03 -40.06 95.48 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.236 -0.915 . . . . 0.0 109.37 179.7 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -60.07 -40.99 91.44 Favored 'General case' 0 N--CA 1.488 1.459 0 O-C-N 121.233 -0.917 . . . . 0.0 110.064 -179.459 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 98.8 mtp -61.09 -40.54 94.09 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.021 -1.049 . . . . 0.0 109.022 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 53.2 t -62.66 -40.02 86.88 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.68 0 O-C-N 121.53 -0.731 . . . . 0.0 110.41 179.838 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 9' ' ' ALA . . . . . 0.408 ' O ' HG23 ' A' ' 13' ' ' VAL . . . -60.0 -45.84 91.43 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.058 -1.026 . . . . 0.0 110.88 -178.347 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.408 ' CD2' ' N ' ' A' ' 10' ' ' LEU . 2.8 mm? -60.03 -44.16 94.81 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 120.682 -1.261 . . . . 0.0 109.599 -179.571 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 96.6 mt -69.94 -43.67 79.25 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.55 0 O-C-N 121.077 -1.014 . . . . 0.0 110.433 -179.503 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 95.6 m-20 -69.99 -39.94 75.6 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.041 -1.037 . . . . 0.0 110.425 -179.819 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.483 HG11 HD11 ' B' ' 3' ' ' LEU . 53.2 t -65.49 -40.34 87.89 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.411 0 O-C-N 121.001 -1.062 . . . . 0.0 109.953 -179.066 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 67.5 t80 -60.06 -48.46 81.61 Favored 'General case' 0 N--CA 1.495 1.81 0 O-C-N 120.854 -1.154 . . . . 0.0 110.625 -179.564 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 5.5 m80 -69.85 -33.1 71.83 Favored 'General case' 0 N--CA 1.497 1.888 0 O-C-N 120.9 -1.125 . . . . 0.0 109.974 -179.769 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 32.0 tt0 -59.92 -49.97 75.58 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 120.976 -1.077 . . . . 0.0 110.261 -178.992 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 36.0 m-85 -72.48 -41.47 65.97 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.146 -0.971 . . . . 0.0 110.272 -179.836 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 25.8 p -62.82 -40.2 96.66 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.073 -1.017 . . . . 0.0 110.424 -178.857 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -79.02 -3.69 88.33 Favored Glycine 0 N--CA 1.489 2.19 0 N-CA-C 109.404 -1.478 . . . . 0.0 109.404 -179.366 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' ARG . . . . . 0.565 ' CG ' HH11 ' A' ' 20' ' ' ARG . 0.6 OUTLIER -60.07 -40.23 88.78 Favored 'General case' 0 C--N 1.303 -1.423 0 O-C-N 121.403 -1.057 . . . . 0.0 109.4 -179.839 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.426 ' O ' ' O ' ' A' ' 22' ' ' GLY . 49.1 tp10 -147.56 87.57 1.65 Allowed 'General case' 0 N--CA 1.495 1.804 0 O-C-N 121.133 -0.98 . . . . 0.0 109.409 179.505 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 22' ' ' GLY . . . . . 0.426 ' O ' ' O ' ' A' ' 21' ' ' GLU . . . 44.71 -168.17 0.02 OUTLIER Glycine 0 N--CA 1.493 2.48 0 N-CA-C 109.916 -1.274 . . . . 0.0 109.916 179.665 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 23' ' ' ASP . . . . . 0.485 ' O ' ' O ' ' A' ' 26' ' ' LYS . 79.6 m-20 50.0 42.22 24.3 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.099 -1.236 . . . . 0.0 108.815 179.859 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 22.5 pttp -65.23 -32.88 74.78 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.164 -0.96 . . . . 0.0 110.376 -179.183 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 11.7 t-160 -90.3 -6.33 55.25 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.013 -1.054 . . . . 0.0 110.744 -179.168 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.485 ' O ' ' O ' ' A' ' 23' ' ' ASP . 42.6 mttm -142.52 159.03 43.03 Favored 'General case' 0 N--CA 1.503 2.205 0 O-C-N 120.783 -1.198 . . . . 0.0 109.74 -179.526 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 83.5 mt -114.21 133.5 55.57 Favored 'General case' 0 N--CA 1.502 2.148 0 N-CA-C 108.013 -1.106 . . . . 0.0 108.013 178.525 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.476 ' HG2' ' H ' ' A' ' 29' ' ' LYS . 1.4 ttmp? -92.27 179.53 5.53 Favored 'General case' 0 N--CA 1.498 1.96 0 O-C-N 121.227 -0.92 . . . . 0.0 109.77 -178.94 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.476 ' H ' ' HG2' ' A' ' 28' ' ' LYS . 0.3 OUTLIER -59.95 -45.32 93.01 Favored 'General case' 0 N--CA 1.494 1.751 0 O-C-N 121.394 -0.817 . . . . 0.0 110.507 -178.696 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 56.0 m -60.05 -41.42 92.28 Favored 'General case' 0 N--CA 1.495 1.795 0 O-C-N 120.753 -1.217 . . . . 0.0 110.716 -178.943 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -69.94 -39.33 76.14 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.153 -0.967 . . . . 0.0 110.182 -179.579 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 53.3 tp -60.06 -49.93 75.7 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.078 -1.014 . . . . 0.0 109.862 -179.228 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 64.6 tttm -63.67 -41.23 98.21 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 120.933 -1.105 . . . . 0.0 110.308 -179.806 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 61.9 tt0 -60.81 -40.12 91.48 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.157 -0.965 . . . . 0.0 110.343 -179.051 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.529 HD13 ' O ' ' A' ' 35' ' ' LEU . 0.2 OUTLIER -59.94 -44.52 94.33 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.277 -0.89 . . . . 0.0 109.588 -178.887 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.461 ' O ' ' O ' ' A' ' 40' ' ' LEU . 3.1 mp -75.68 -31.33 22.74 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.916 0 O-C-N 120.731 -1.231 . . . . 0.0 109.858 179.409 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 20.5 t-20 -58.16 -72.3 0.09 Allowed 'General case' 0 N--CA 1.494 1.764 0 O-C-N 120.814 -1.179 . . . . 0.0 112.393 -177.768 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 4.0 p-10 -81.07 -19.76 43.02 Favored 'General case' 0 N--CA 1.498 1.948 0 O-C-N 121.315 -0.866 . . . . 0.0 113.054 -177.064 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 1.5 tm-20 -89.91 -77.36 0.4 Allowed 'General case' 0 N--CA 1.502 2.175 0 O-C-N 120.47 -1.393 . . . . 0.0 110.613 -178.022 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.461 ' O ' ' O ' ' A' ' 36' ' ' ILE . 0.7 OUTLIER -90.4 111.75 23.1 Favored 'General case' 0 N--CA 1.497 1.877 0 O-C-N 120.899 -1.126 . . . . 0.0 108.805 -179.517 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 80.8 p -145.24 18.02 1.55 Allowed 'General case' 0 N--CA 1.495 1.78 0 O-C-N 121.049 -1.032 . . . . 0.0 110.032 -179.668 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 41.8 t-80 -126.87 -19.48 4.45 Favored 'General case' 0 N--CA 1.501 2.11 0 O-C-N 121.435 -0.791 . . . . 0.0 110.652 -179.137 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 57.3 m-85 -78.5 -62.36 1.71 Allowed 'General case' 0 N--CA 1.495 1.779 0 O-C-N 120.834 -1.166 . . . . 0.0 110.903 -178.973 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -89.99 -75.34 0.46 Allowed 'General case' 0 N--CA 1.501 2.085 0 O-C-N 121.118 -0.989 . . . . 0.0 110.223 -178.843 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 52.4 tt0 64.94 20.83 12.21 Favored 'General case' 0 N--CA 1.494 1.747 0 O-C-N 121.56 -0.713 . . . . 0.0 109.209 -179.068 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 15.3 pt-20 -94.4 0.01 55.14 Favored 'General case' 0 N--CA 1.496 1.861 0 O-C-N 121.247 -0.908 . . . . 0.0 110.12 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 85.8 mt -79.47 114.21 19.94 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.763 0 O-C-N 120.939 -1.101 . . . . 0.0 109.486 -179.464 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 4.7 mmmm -106.33 -51.02 3.03 Favored 'General case' 0 N--CA 1.499 1.978 0 O-C-N 121.575 -0.703 . . . . 0.0 110.615 -179.679 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 80.4 mm-40 -111.03 156.86 20.66 Favored 'General case' 0 N--CA 1.501 2.098 0 O-C-N 121.354 -0.842 . . . . 0.0 110.582 -178.693 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 51.9 tt0 -59.97 -37.02 78.4 Favored 'General case' 0 N--CA 1.493 1.684 0 CA-C-O 121.438 0.637 . . . . 0.0 109.295 179.154 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 77.0 mm-40 -53.08 -33.75 53.5 Favored 'General case' 0 C--N 1.301 -1.543 0 O-C-N 121.456 -0.777 . . . . 0.0 109.491 -179.281 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 79.2 t -60.06 -40.02 82.03 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.518 0 O-C-N 121.103 -0.998 . . . . 0.0 109.527 -179.886 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 54.5 t -60.16 -42.21 89.37 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.66 0 O-C-N 121.063 -1.023 . . . . 0.0 109.445 179.417 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 50.1 t0 -60.12 -46.96 87.86 Favored 'General case' 0 N--CA 1.494 1.769 0 O-C-N 121.144 -0.972 . . . . 0.0 109.725 -179.748 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 2.5 ttmp? -59.97 -41.17 91.4 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.277 -0.889 . . . . 0.0 109.174 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 65.4 t -66.53 -40.37 86.22 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.475 0 O-C-N 121.304 -0.872 . . . . 0.0 109.125 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 8.9 ttt -60.31 -41.9 94.43 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.328 -0.858 . . . . 0.0 110.214 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -63.91 -39.91 95.27 Favored 'General case' 0 C--N 1.302 -1.46 0 O-C-N 121.339 -0.85 . . . . 0.0 109.719 -179.316 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 86.1 m -67.12 -46.66 73.5 Favored 'General case' 0 N--CA 1.488 1.428 0 N-CA-C 108.556 -0.905 . . . . 0.0 108.556 179.209 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 42.9 tp -61.03 -50.09 74.76 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.162 -0.961 . . . . 0.0 110.023 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 61' ' ' ASP . . . . . 0.446 ' OD1' ' N ' ' A' ' 64' ' ' GLY . 12.5 t70 -81.87 69.18 8.5 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.023 -1.048 . . . . 0.0 110.574 -179.181 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 7.1 tm-20 -70.16 -32.23 70.1 Favored 'General case' 0 N--CA 1.49 1.568 0 N-CA-C 108.434 -0.95 . . . . 0.0 108.434 178.57 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 5.0 p-10 -60.05 -37.5 80.01 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.826 -0.546 . . . . 0.0 110.315 -179.434 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 64' ' ' GLY . . . . . 0.446 ' N ' ' OD1' ' A' ' 61' ' ' ASP . . . 99.11 30.37 6.71 Favored Glycine 0 N--CA 1.502 3.06 0 N-CA-C 110.466 -1.053 . . . . 0.0 110.466 179.533 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 65' ' ' ASP . . . . . 0.451 ' O ' ' OD1' ' A' ' 65' ' ' ASP . 65.7 t0 -86.61 -19.41 29.38 Favored 'General case' 0 N--CA 1.496 1.834 0 O-C-N 120.897 -1.355 . . . . 0.0 108.951 179.277 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 71.36 -0.93 30.22 Favored Glycine 0 N--CA 1.492 2.377 0 N-CA-C 109.25 -1.54 . . . . 0.0 109.25 179.894 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 49.0 mt-10 -135.82 156.05 49.39 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 121.493 -1.004 . . . . 0.0 108.597 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 44.6 m -89.74 116.25 27.71 Favored 'General case' 0 N--CA 1.494 1.736 0 O-C-N 120.934 -1.104 . . . . 0.0 109.387 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 69' ' ' ASP . . . . . 0.536 ' OD1' ' N ' ' A' ' 70' ' ' PHE . 18.9 t0 -88.85 171.09 10.18 Favored 'General case' 0 N--CA 1.491 1.581 0 N-CA-C 108.722 -0.844 . . . . 0.0 108.722 179.869 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 70' ' ' PHE . . . . . 0.536 ' N ' ' OD1' ' A' ' 69' ' ' ASP . 41.6 t80 -60.1 -42.35 94.49 Favored 'General case' 0 C--N 1.3 -1.55 0 O-C-N 121.075 -1.016 . . . . 0.0 108.648 -179.86 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 88.7 mt-30 -60.99 -41.43 96.48 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.381 -0.825 . . . . 0.0 109.706 179.767 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 36.8 mt-10 -64.22 -38.84 92.48 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.31 -0.869 . . . . 0.0 109.287 -179.878 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 53.9 t80 -60.06 -43.98 95.03 Favored 'General case' 0 C--N 1.3 -1.578 0 O-C-N 121.506 -0.746 . . . . 0.0 109.279 -179.697 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 95.9 mmm -67.84 -39.98 83.76 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.256 -0.902 . . . . 0.0 109.886 179.901 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -59.88 -44.61 94.11 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.137 -0.977 . . . . 0.0 109.591 -179.073 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 58.6 t80 -59.87 -49.37 77.95 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.147 -0.971 . . . . 0.0 109.262 179.569 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 66.4 t -61.27 -44.43 98.39 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.476 0 O-C-N 121.245 -0.909 . . . . 0.0 109.195 -179.818 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 25.8 t -60.49 -43.42 97.01 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.299 -0.876 . . . . 0.0 109.684 -179.763 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 63.0 ttp -60.24 -40.04 88.85 Favored 'General case' 0 C--N 1.303 -1.436 0 O-C-N 121.151 -0.968 . . . . 0.0 109.917 -179.439 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 57.9 t -69.12 -44.26 81.07 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.562 0 O-C-N 121.138 -0.976 . . . . 0.0 109.872 -179.66 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 81' ' ' THR . . . . . 0.493 ' O ' ' SG ' ' A' ' 84' ' ' CYS . 27.9 m -61.32 -40.78 95.48 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.104 -0.997 . . . . 0.0 109.691 -179.608 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 35.5 p -68.3 -39.01 82.2 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.102 -0.999 . . . . 0.0 109.279 179.773 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -73.41 -22.96 60.1 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.461 -0.774 . . . . 0.0 110.716 -179.402 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 84' ' ' CYS . . . . . 0.539 ' SG ' ' O ' ' A' ' 84' ' ' CYS . 14.8 p -43.96 116.14 0.94 Allowed 'General case' 0 N--CA 1.496 1.868 0 O-C-N 121.127 -0.983 . . . . 0.0 110.598 -178.774 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 71.8 t60 -98.22 -42.19 7.54 Favored 'General case' 0 N--CA 1.497 1.89 0 O-C-N 120.996 -1.065 . . . . 0.0 109.374 179.73 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 86' ' ' GLU . . . . . 0.662 ' CD ' ' H ' ' A' ' 86' ' ' GLU . 0.8 OUTLIER -71.04 140.52 50.77 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 121.425 -0.797 . . . . 0.0 110.126 -179.67 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 96.5 m-85 -113.12 141.1 47.3 Favored 'General case' 0 N--CA 1.5 2.035 0 O-C-N 121.532 -0.73 . . . . 0.0 110.1 -179.445 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 63.8 m-85 . . . . . 0 N--CA 1.498 1.942 0 O-C-N 121.179 -0.951 . . . . 0.0 109.031 179.112 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 30.2 t . . . . . 0 N--CA 1.497 1.904 0 N-CA-C 109.393 -0.595 . . . . 0.0 109.393 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -59.94 -40.21 88.2 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.147 -0.971 . . . . 0.0 110.036 -179.8 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 3' ' ' LEU . . . . . 0.483 HD11 HG11 ' A' ' 13' ' ' VAL . 35.9 mt -60.65 -42.72 97.55 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 120.971 -1.081 . . . . 0.0 109.352 179.739 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 88.7 tt0 -60.02 -45.81 91.57 Favored 'General case' 0 C--N 1.303 -1.449 0 O-C-N 121.357 -0.84 . . . . 0.0 109.376 -179.43 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 63.6 tttm -64.49 -40.04 94.92 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.25 -0.906 . . . . 0.0 109.247 179.702 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -60.03 -41.4 92.15 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.432 -0.793 . . . . 0.0 109.999 -179.295 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 7' ' ' MET . . . . . . . . . . . . . 97.8 mtp -61.15 -40.47 93.96 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 120.941 -1.099 . . . . 0.0 109.006 179.829 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 47.0 t -62.76 -40.01 87.01 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.71 0 O-C-N 121.572 -0.705 . . . . 0.0 110.355 179.923 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 9' ' ' ALA . . . . . 0.43 ' O ' HG23 ' B' ' 13' ' ' VAL . . . -60.05 -45.38 93.04 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 121.009 -1.057 . . . . 0.0 110.773 -178.198 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 10' ' ' LEU . . . . . 0.4 ' N ' ' CD2' ' B' ' 10' ' ' LEU . 2.9 mm? -59.99 -44.4 94.53 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 120.883 -1.136 . . . . 0.0 109.8 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 96.6 mt -69.96 -43.58 79.28 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.581 0 O-C-N 121.103 -0.998 . . . . 0.0 110.343 -179.519 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 95.9 m-20 -70.04 -39.95 75.44 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.079 -1.013 . . . . 0.0 110.432 -179.73 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 13' ' ' VAL . . . . . 0.494 HG11 HD11 ' A' ' 3' ' ' LEU . 54.3 t -65.47 -40.58 88.69 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.523 0 O-C-N 121.106 -0.996 . . . . 0.0 109.998 -179.032 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 14' ' ' PHE . . . . . . . . . . . . . 68.1 t80 -59.94 -48.53 81.33 Favored 'General case' 0 N--CA 1.495 1.807 0 O-C-N 120.95 -1.094 . . . . 0.0 110.602 -179.361 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 5.7 m80 -69.87 -32.94 71.57 Favored 'General case' 0 N--CA 1.496 1.872 0 O-C-N 120.959 -1.088 . . . . 0.0 110.063 -179.898 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 32.4 tt0 -59.98 -49.65 76.82 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.034 -1.041 . . . . 0.0 110.215 -178.971 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 36.7 m-85 -73.05 -41.34 64.27 Favored 'General case' 0 N--CA 1.494 1.748 0 O-C-N 121.191 -0.943 . . . . 0.0 110.274 -179.782 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 26.6 p -62.22 -40.67 96.91 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.216 -0.927 . . . . 0.0 110.176 -179.119 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -78.53 -4.14 87.16 Favored Glycine 0 N--CA 1.49 2.289 0 N-CA-C 109.473 -1.451 . . . . 0.0 109.473 -179.342 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 20' ' ' ARG . . . . . 0.534 ' CG ' HH11 ' B' ' 20' ' ' ARG . 0.9 OUTLIER -60.03 -40.26 88.73 Favored 'General case' 0 C--N 1.302 -1.478 0 O-C-N 121.347 -1.09 . . . . 0.0 109.496 -179.808 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' B' B ' 21' ' ' GLU . . . . . 0.422 ' O ' ' O ' ' B' ' 22' ' ' GLY . 49.2 tp10 -147.87 87.32 1.61 Allowed 'General case' 0 N--CA 1.495 1.803 0 O-C-N 121.151 -0.968 . . . . 0.0 109.459 179.703 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 22' ' ' GLY . . . . . 0.422 ' O ' ' O ' ' B' ' 21' ' ' GLU . . . 45.31 -168.49 0.03 OUTLIER Glycine 0 N--CA 1.492 2.429 0 N-CA-C 109.863 -1.295 . . . . 0.0 109.863 179.588 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 23' ' ' ASP . . . . . 0.484 ' O ' ' O ' ' B' ' 26' ' ' LYS . 80.3 m-20 50.17 42.43 25.25 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.095 -1.238 . . . . 0.0 108.866 179.812 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 22.3 pttp -65.2 -33.17 75.36 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.081 -1.012 . . . . 0.0 110.382 -179.202 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 25' ' ' HIS . . . . . . . . . . . . . 11.8 t-160 -90.23 -5.96 55.77 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.153 -0.967 . . . . 0.0 110.81 -179.122 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 26' ' ' LYS . . . . . 0.484 ' O ' ' O ' ' B' ' 23' ' ' ASP . 41.8 mttm -142.75 159.13 42.84 Favored 'General case' 0 N--CA 1.502 2.137 0 O-C-N 120.735 -1.228 . . . . 0.0 109.804 -179.538 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 81.5 mt -114.49 133.67 55.59 Favored 'General case' 0 N--CA 1.502 2.134 0 N-CA-C 107.895 -1.15 . . . . 0.0 107.895 178.508 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 28' ' ' LYS . . . . . 0.508 ' HG2' ' H ' ' B' ' 29' ' ' LYS . 1.5 ttmp? -92.71 179.36 5.51 Favored 'General case' 0 N--CA 1.495 1.822 0 O-C-N 121.157 -0.965 . . . . 0.0 109.803 -179.044 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 29' ' ' LYS . . . . . 0.508 ' H ' ' HG2' ' B' ' 28' ' ' LYS . 0.3 OUTLIER -59.8 -45.75 91.34 Favored 'General case' 0 N--CA 1.495 1.78 0 O-C-N 121.49 -0.756 . . . . 0.0 110.642 -178.676 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 57.9 m -60.14 -41.08 91.94 Favored 'General case' 0 N--CA 1.495 1.794 0 O-C-N 120.652 -1.28 . . . . 0.0 110.564 -178.866 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -69.87 -39.45 76.32 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.123 -0.986 . . . . 0.0 109.996 -179.416 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 43.2 tp -60.02 -49.88 75.94 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.171 -0.956 . . . . 0.0 110.024 -179.157 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 65.8 tttm -63.9 -40.45 96.54 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.008 -1.057 . . . . 0.0 110.239 -179.624 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 62.0 tt0 -61.41 -39.92 92.53 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.149 -0.969 . . . . 0.0 110.323 -179.176 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 35' ' ' LEU . . . . . 0.514 ' O ' HD13 ' B' ' 35' ' ' LEU . 0.3 OUTLIER -60.05 -43.96 95.02 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.277 -0.89 . . . . 0.0 109.549 -178.94 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' B' B ' 36' ' ' ILE . . . . . 0.463 ' O ' ' O ' ' B' ' 40' ' ' LEU . 3.5 mp -76.32 -30.87 20.23 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.866 0 O-C-N 120.807 -1.183 . . . . 0.0 109.944 179.439 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 21.5 t-20 -58.62 -72.05 0.1 Allowed 'General case' 0 N--CA 1.493 1.698 0 O-C-N 120.888 -1.132 . . . . 0.0 112.172 -177.837 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 3.9 p-10 -81.31 -19.75 42.24 Favored 'General case' 0 N--CA 1.498 1.958 0 O-C-N 121.301 -0.874 . . . . 0.0 113.18 -176.978 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 1.5 tm-20 -89.69 -77.39 0.39 Allowed 'General case' 0 N--CA 1.502 2.173 0 O-C-N 120.401 -1.437 . . . . 0.0 110.487 -178.093 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 40' ' ' LEU . . . . . 0.463 ' O ' ' O ' ' B' ' 36' ' ' ILE . 0.7 OUTLIER -90.14 112.45 23.94 Favored 'General case' 0 N--CA 1.498 1.944 0 O-C-N 120.875 -1.141 . . . . 0.0 108.714 -179.758 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 87.9 p -145.78 17.82 1.45 Allowed 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.071 -1.018 . . . . 0.0 109.946 -179.823 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 42' ' ' HIS . . . . . . . . . . . . . 43.3 t-80 -126.9 -19.66 4.39 Favored 'General case' 0 N--CA 1.5 2.052 0 O-C-N 121.388 -0.82 . . . . 0.0 110.643 -179.173 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 57.3 m-85 -78.16 -62.46 1.67 Allowed 'General case' 0 N--CA 1.496 1.872 0 O-C-N 120.897 -1.127 . . . . 0.0 110.969 -178.953 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -90.31 -74.61 0.48 Allowed 'General case' 0 N--CA 1.498 1.949 0 O-C-N 120.942 -1.099 . . . . 0.0 110.245 -178.774 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 51.9 tt0 64.81 20.4 12.11 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.535 -0.728 . . . . 0.0 109.273 -179.196 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 15.4 pt-20 -93.59 -0.23 56.29 Favored 'General case' 0 N--CA 1.497 1.89 0 O-C-N 121.147 -0.971 . . . . 0.0 110.268 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 87.6 mt -78.89 114.11 19.15 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.802 0 O-C-N 120.968 -1.082 . . . . 0.0 109.561 -179.334 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 4.7 mmmm -106.08 -51.57 2.95 Favored 'General case' 0 N--CA 1.498 1.973 0 O-C-N 121.414 -0.804 . . . . 0.0 110.478 -179.739 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 79.2 mm-40 -110.71 156.77 20.55 Favored 'General case' 0 N--CA 1.5 2.071 0 O-C-N 121.39 -0.819 . . . . 0.0 110.807 -178.573 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 53.0 tt0 -60.06 -36.91 78.37 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.657 -0.652 . . . . 0.0 109.413 179.138 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 76.5 mm-40 -53.24 -33.53 53.37 Favored 'General case' 0 C--N 1.301 -1.507 0 O-C-N 121.338 -0.851 . . . . 0.0 109.244 -179.342 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 72.7 t -60.05 -40.01 81.99 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.475 0 O-C-N 121.083 -1.011 . . . . 0.0 109.376 -179.833 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 45.6 t -60.11 -42.25 89.36 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.744 0 O-C-N 121.063 -1.023 . . . . 0.0 109.46 179.435 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 50.7 t0 -60.06 -47.21 86.82 Favored 'General case' 0 N--CA 1.495 1.786 0 O-C-N 121.097 -1.002 . . . . 0.0 109.705 -179.809 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 2.5 ttmp? -59.97 -41.11 91.22 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.19 -0.944 . . . . 0.0 109.132 -179.683 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 53.8 t -66.57 -40.12 85.54 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.447 0 O-C-N 121.374 -0.829 . . . . 0.0 108.954 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 57' ' ' MET . . . . . . . . . . . . . 8.2 ttt -60.98 -41.62 96.77 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.261 -0.899 . . . . 0.0 110.261 -179.881 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -64.02 -40.18 95.75 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.206 -0.934 . . . . 0.0 109.567 -179.515 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 93.8 m -66.32 -47.3 74.0 Favored 'General case' 0 N--CA 1.488 1.43 0 O-C-N 121.217 -0.927 . . . . 0.0 108.57 178.888 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 53.6 tp -60.68 -50.04 75.09 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.196 -0.94 . . . . 0.0 110.107 -179.838 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 61' ' ' ASP . . . . . 0.433 ' OD1' ' N ' ' B' ' 64' ' ' GLY . 12.8 t70 -81.86 68.98 8.45 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.121 -0.987 . . . . 0.0 110.625 -179.022 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 7.0 tm-20 -70.17 -32.18 70.02 Favored 'General case' 0 N--CA 1.488 1.464 0 N-CA-C 108.357 -0.979 . . . . 0.0 108.357 178.49 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 5.2 p-10 -59.93 -37.61 79.99 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.908 -0.495 . . . . 0.0 110.396 -179.453 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 64' ' ' GLY . . . . . 0.433 ' N ' ' OD1' ' B' ' 61' ' ' ASP . . . 99.74 28.84 7.23 Favored Glycine 0 N--CA 1.501 2.982 0 O-C-N 121.087 -1.008 . . . . 0.0 110.714 179.466 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 65' ' ' ASP . . . . . 0.46 ' OD1' ' O ' ' B' ' 65' ' ' ASP . 65.6 t0 -85.59 -19.93 30.3 Favored 'General case' 0 N--CA 1.496 1.845 0 O-C-N 120.888 -1.36 . . . . 0.0 109.216 179.38 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 72.02 -1.01 34.93 Favored Glycine 0 N--CA 1.492 2.427 0 N-CA-C 109.25 -1.54 . . . . 0.0 109.25 179.765 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 49.5 mt-10 -135.9 155.91 49.57 Favored 'General case' 0 N--CA 1.495 1.783 0 O-C-N 121.607 -0.937 . . . . 0.0 108.619 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 68' ' ' CYS . . . . . . . . . . . . . 36.2 m -89.7 116.62 27.96 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 120.86 -1.15 . . . . 0.0 109.316 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 69' ' ' ASP . . . . . 0.547 ' OD1' ' N ' ' B' ' 70' ' ' PHE . 18.7 t0 -89.05 171.03 10.14 Favored 'General case' 0 N--CA 1.494 1.727 0 N-CA-C 108.63 -0.878 . . . . 0.0 108.63 179.893 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 70' ' ' PHE . . . . . 0.547 ' N ' ' OD1' ' B' ' 69' ' ' ASP . 41.7 t80 -60.02 -42.15 93.7 Favored 'General case' 0 C--N 1.3 -1.558 0 O-C-N 121.083 -1.01 . . . . 0.0 108.633 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 87.9 mt-30 -61.49 -41.21 96.93 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.393 -0.817 . . . . 0.0 109.661 179.886 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 35.8 mt-10 -63.96 -38.83 92.5 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.348 -0.845 . . . . 0.0 109.298 179.926 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 73' ' ' PHE . . . . . . . . . . . . . 58.0 t80 -60.02 -44.11 94.82 Favored 'General case' 0 C--N 1.301 -1.526 0 O-C-N 121.536 -0.728 . . . . 0.0 109.211 -179.652 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 74' ' ' MET . . . . . . . . . . . . . 94.2 mmm -67.77 -39.92 84.07 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.305 -0.872 . . . . 0.0 109.952 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -59.96 -44.85 94.17 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.132 -0.98 . . . . 0.0 109.699 -179.082 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 58.8 t80 -60.07 -48.52 81.36 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.157 -0.964 . . . . 0.0 109.259 179.83 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 77' ' ' VAL . . . . . . . . . . . . . 53.2 t -61.61 -44.71 99.1 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.491 0 O-C-N 121.293 -0.88 . . . . 0.0 109.104 179.928 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 78' ' ' SER . . . . . . . . . . . . . 22.8 t -60.36 -43.5 96.45 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.33 -0.856 . . . . 0.0 109.753 -179.827 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 79' ' ' MET . . . . . . . . . . . . . 63.3 ttp -60.05 -40.21 88.66 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.235 -0.916 . . . . 0.0 109.963 -179.567 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 76.7 t -69.04 -44.24 81.31 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.567 0 O-C-N 121.146 -0.971 . . . . 0.0 109.771 -179.577 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 81' ' ' THR . . . . . 0.469 ' O ' ' SG ' ' B' ' 84' ' ' CYS . 29.0 m -61.4 -41.05 96.52 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.1 -1.0 . . . . 0.0 109.486 -179.299 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 33.4 p -67.72 -39.74 84.29 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 121.043 -1.036 . . . . 0.0 109.354 179.828 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -73.16 -22.41 60.5 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.451 -0.781 . . . . 0.0 110.803 -179.338 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 84' ' ' CYS . . . . . 0.538 ' SG ' ' O ' ' B' ' 84' ' ' CYS . 14.3 p -44.17 115.91 0.92 Allowed 'General case' 0 N--CA 1.494 1.732 0 O-C-N 121.113 -0.992 . . . . 0.0 110.487 -178.904 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 85' ' ' HIS . . . . . . . . . . . . . 72.9 t60 -98.3 -41.92 7.63 Favored 'General case' 0 N--CA 1.498 1.927 0 O-C-N 120.924 -1.11 . . . . 0.0 109.433 179.819 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 86' ' ' GLU . . . . . 0.665 ' CD ' ' H ' ' B' ' 86' ' ' GLU . 0.8 OUTLIER -71.45 140.1 49.9 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 121.31 -0.869 . . . . 0.0 110.168 -179.542 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' B' B ' 87' ' ' PHE . . . . . . . . . . . . . 96.8 m-85 -112.56 142.05 45.59 Favored 'General case' 0 N--CA 1.5 2.055 0 O-C-N 121.451 -0.781 . . . . 0.0 110.18 -179.516 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 61.7 m-85 . . . . . 0 N--CA 1.496 1.872 0 O-C-N 121.241 -0.912 . . . . 0.0 108.955 179.113 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 42.8 t . . . . . 0 N--CA 1.49 1.526 0 CA-C-O 121.587 0.708 . . . . 0.0 109.427 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 99.7 mt-10 -70.01 -31.65 69.42 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.27 -0.894 . . . . 0.0 110.254 -179.818 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 3' ' ' LEU . . . . . 0.537 HD23 ' C ' ' A' ' 3' ' ' LEU . 9.1 tt -59.9 -49.32 78.17 Favored 'General case' 0 N--CA 1.494 1.725 0 O-C-N 121.114 -0.992 . . . . 0.0 110.587 -178.309 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 1.1 pp20? -61.18 -39.94 92.05 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 120.617 -1.302 . . . . 0.0 109.903 -179.466 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 86.8 tttt -66.33 -40.42 89.86 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 120.92 -1.113 . . . . 0.0 108.831 179.558 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -61.69 -40.38 94.78 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.623 -0.673 . . . . 0.0 110.104 -179.62 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 27.1 ttt -60.06 -40.0 87.94 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.182 -0.949 . . . . 0.0 109.448 -179.61 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 67.5 t -60.48 -39.77 82.21 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.572 0 O-C-N 121.462 -0.774 . . . . 0.0 109.597 179.712 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.89 -40.73 89.73 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.226 -0.921 . . . . 0.0 110.932 -178.179 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.401 HD22 ' N ' ' A' ' 10' ' ' LEU . 4.0 mm? -60.07 -49.98 75.51 Favored 'General case' 0 N--CA 1.495 1.784 0 O-C-N 120.68 -1.263 . . . . 0.0 109.758 -179.83 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 98.2 mt -60.16 -47.79 90.64 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.578 0 O-C-N 121.016 -1.053 . . . . 0.0 109.694 -179.647 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 10.3 t70 -61.83 -47.72 83.83 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.19 -0.944 . . . . 0.0 110.266 -179.481 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 54.2 t -67.42 -43.64 87.48 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.678 0 O-C-N 121.077 -1.015 . . . . 0.0 109.964 -179.27 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 64.3 t80 -60.0 -45.58 92.29 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.036 -1.04 . . . . 0.0 110.037 -179.443 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 4.1 t-80 -61.36 -40.06 92.9 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.249 -0.907 . . . . 0.0 110.627 -178.874 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 65.6 mt-30 -63.7 -58.47 6.79 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 120.942 -1.099 . . . . 0.0 110.601 -178.907 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 50.0 m-85 -64.7 -39.98 94.58 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.085 -1.009 . . . . 0.0 110.281 -179.506 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 57.6 p -66.06 -33.58 76.12 Favored 'General case' 0 C--N 1.297 -1.693 0 O-C-N 121.052 -1.03 . . . . 0.0 109.061 179.835 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -80.57 -15.33 78.29 Favored Glycine 0 N--CA 1.494 2.504 0 C-N-CA 120.121 -1.038 . . . . 0.0 110.541 -179.921 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 23.5 mmt180 -60.01 -40.03 87.86 Favored 'General case' 0 N--CA 1.496 1.874 0 O-C-N 120.883 -1.363 . . . . 0.0 110.557 -179.761 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 13.4 pt-20 -154.46 167.95 28.33 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 120.923 -1.111 . . . . 0.0 110.369 -179.1 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 100.92 175.81 29.3 Favored Glycine 0 N--CA 1.495 2.576 0 N-CA-C 108.867 -1.693 . . . . 0.0 108.867 -179.666 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 57.0 t0 -58.29 -58.06 10.17 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.023 -1.281 . . . . 0.0 109.01 -179.74 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 42.2 mtpt -153.47 -37.94 0.1 Allowed 'General case' 0 N--CA 1.493 1.718 0 O-C-N 121.315 -0.866 . . . . 0.0 110.014 178.789 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -159.8 75.4 0.62 Allowed 'General case' 0 N--CA 1.488 1.426 0 O-C-N 120.715 -1.24 . . . . 0.0 111.935 -178.677 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 57.9 pttt -144.36 158.67 43.62 Favored 'General case' 0 N--CA 1.498 1.956 0 O-C-N 121.107 -0.996 . . . . 0.0 108.406 177.712 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 89.3 mt -107.97 127.74 54.03 Favored 'General case' 0 N--CA 1.5 2.044 0 O-C-N 121.305 -0.872 . . . . 0.0 110.596 -178.796 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 54.6 tttp -105.23 165.54 11.04 Favored 'General case' 0 N--CA 1.496 1.826 0 N-CA-C 108.165 -1.05 . . . . 0.0 108.165 179.267 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 7.9 ttpm? -60.06 -43.33 95.47 Favored 'General case' 0 N--CA 1.495 1.797 0 O-C-N 120.836 -1.165 . . . . 0.0 110.571 -178.56 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' SER . . . . . 0.429 ' O ' ' OE1' ' A' ' 34' ' ' GLU . 88.6 p -60.59 -40.39 91.6 Favored 'General case' 0 N--CA 1.495 1.82 0 O-C-N 120.922 -1.111 . . . . 0.0 109.865 -179.742 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 86.4 tt0 -59.99 -37.64 80.25 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.394 -0.816 . . . . 0.0 109.996 -179.897 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 96.0 mt -60.0 -39.94 87.5 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.28 -0.888 . . . . 0.0 111.055 -178.242 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 7.3 ttpm? -60.06 -49.64 76.85 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 120.531 -1.355 . . . . 0.0 110.046 -178.978 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 34' ' ' GLU . . . . . 0.481 ' N ' ' OE1' ' A' ' 34' ' ' GLU . 21.7 mp0 -69.93 -40.27 75.62 Favored 'General case' 0 N--CA 1.495 1.803 0 O-C-N 120.945 -1.097 . . . . 0.0 110.11 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.455 ' O ' ' OD1' ' A' ' 38' ' ' ASN . 7.4 tt -61.72 -41.05 97.11 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.34 -0.85 . . . . 0.0 110.145 -179.628 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 86.4 mt -69.55 -39.98 79.08 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.57 0 O-C-N 121.033 -1.042 . . . . 0.0 110.658 -178.782 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 25.7 m-20 -60.06 -40.03 88.05 Favored 'General case' 0 N--CA 1.495 1.8 0 O-C-N 121.008 -1.057 . . . . 0.0 112.191 -178.158 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 38' ' ' ASN . . . . . 0.455 ' OD1' ' O ' ' A' ' 35' ' ' LEU . 7.6 p-10 -71.22 -40.07 71.33 Favored 'General case' 0 N--CA 1.496 1.847 0 O-C-N 120.447 -1.408 . . . . 0.0 111.878 -178.126 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -91.91 -79.69 0.37 Allowed 'General case' 0 N--CA 1.505 2.286 0 O-C-N 120.599 -1.313 . . . . 0.0 110.924 -178.899 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.5 ' N ' HD12 ' A' ' 40' ' ' LEU . 11.1 mp -72.53 138.58 47.03 Favored 'General case' 0 N--CA 1.496 1.87 0 O-C-N 120.969 -1.082 . . . . 0.0 110.466 -178.515 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 24.6 p -148.2 -54.16 0.2 Allowed 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.579 -0.701 . . . . 0.0 109.535 179.564 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 39.3 m80 -90.62 -12.88 35.6 Favored 'General case' 0 N--CA 1.497 1.909 0 O-C-N 121.109 -0.995 . . . . 0.0 110.445 -179.734 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 59.3 m-85 -59.96 -40.01 87.61 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 120.751 -1.218 . . . . 0.0 108.886 -179.556 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.852 ' N ' HD13 ' A' ' 44' ' ' LEU . 0.0 OUTLIER -108.17 163.95 12.73 Favored 'General case' 0 N--CA 1.5 2.046 0 N-CA-C 107.452 -1.314 . . . . 0.0 107.452 177.764 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 56.5 mp0 -55.22 -61.83 2.07 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 120.447 -1.408 . . . . 0.0 109.466 -178.496 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 81.4 tt0 -179.31 142.7 0.19 Allowed 'General case' 0 N--CA 1.496 1.836 0 N-CA-C 109.088 -0.708 . . . . 0.0 109.088 179.235 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 42.2 mm -84.54 120.09 34.61 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.769 0 O-C-N 121.101 -0.999 . . . . 0.0 108.84 179.562 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 31.1 tttm -161.53 -23.22 0.05 Allowed 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.12 -0.988 . . . . 0.0 109.919 179.763 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 49' ' ' GLU . . . . . 0.526 ' OE1' ' N ' ' A' ' 49' ' ' GLU . 56.6 mp0 -101.83 139.98 36.74 Favored 'General case' 0 N--CA 1.497 1.903 0 O-C-N 121.25 -0.906 . . . . 0.0 109.255 179.852 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 26.5 mm100 -68.64 -33.6 74.29 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.413 -0.805 . . . . 0.0 109.568 -179.828 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 51' ' ' GLU . . . . . 0.41 ' OE1' ' N ' ' A' ' 51' ' ' GLU . 59.4 mp0 -60.03 -39.92 87.57 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.31 -0.869 . . . . 0.0 110.335 -179.145 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 71.7 t -60.04 -40.68 83.9 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.616 0 O-C-N 121.085 -1.009 . . . . 0.0 109.634 -178.872 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 54.6 t -69.78 -41.9 79.97 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.505 0 O-C-N 121.109 -0.994 . . . . 0.0 109.546 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 55.5 t0 -59.92 -44.46 94.29 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.289 -0.882 . . . . 0.0 109.637 -179.66 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 63.0 tttp -60.01 -47.49 85.63 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.438 -0.789 . . . . 0.0 110.229 -179.468 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 56.1 t -68.31 -40.52 82.63 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.617 0 O-C-N 121.169 -0.957 . . . . 0.0 109.578 -179.354 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 57' ' ' MET . . . . . 0.458 ' SD ' ' O ' ' A' ' 57' ' ' MET . 0.0 OUTLIER -66.74 -45.06 79.83 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.368 -0.832 . . . . 0.0 110.007 -179.277 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 7.0 tm-20 -66.77 -45.18 79.35 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.317 -0.864 . . . . 0.0 110.788 -179.04 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 94.2 m -65.62 -40.01 92.13 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.043 -1.036 . . . . 0.0 110.215 -179.123 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.48 ' O ' HD23 ' A' ' 60' ' ' LEU . 4.5 tt -64.35 -47.74 78.18 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.175 -0.953 . . . . 0.0 109.46 -179.534 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 61' ' ' ASP . . . . . 0.529 ' OD2' ' N ' ' A' ' 65' ' ' ASP . 32.1 t0 -76.88 95.79 4.17 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.023 -1.048 . . . . 0.0 109.005 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 90.6 mt-10 -68.73 -39.99 80.11 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.336 -0.853 . . . . 0.0 110.366 -179.112 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 63' ' ' ASP . . . . . 0.451 ' OD2' ' OD2' ' A' ' 65' ' ' ASP . 31.6 p30 -93.48 1.17 56.89 Favored 'General case' 0 N--CA 1.494 1.768 0 O-C-N 121.106 -0.996 . . . . 0.0 110.25 -179.379 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 61.3 45.77 95.8 Favored Glycine 0 N--CA 1.492 2.387 0 N-CA-C 109.971 -1.252 . . . . 0.0 109.971 179.385 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 65' ' ' ASP . . . . . 0.529 ' N ' ' OD2' ' A' ' 61' ' ' ASP . 95.2 m-20 -69.82 -18.82 63.48 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.109 -1.23 . . . . 0.0 109.34 179.776 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 88.01 -9.92 72.71 Favored Glycine 0 N--CA 1.491 2.32 0 N-CA-C 108.421 -1.872 . . . . 0.0 108.421 -179.544 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 13.7 pt-20 -144.52 154.26 42.71 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.63 -0.923 . . . . 0.0 109.324 -179.809 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -112.57 129.35 56.4 Favored 'General case' 0 N--CA 1.502 2.148 0 N-CA-C 108.886 -0.783 . . . . 0.0 108.886 179.794 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 69' ' ' ASP . . . . . 0.517 ' OD1' ' N ' ' A' ' 70' ' ' PHE . 16.3 t70 -90.8 -177.77 5.06 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.296 -0.877 . . . . 0.0 110.056 -179.723 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 70' ' ' PHE . . . . . 0.517 ' N ' ' OD1' ' A' ' 69' ' ' ASP . 27.3 t80 -60.0 -41.37 91.96 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.369 -0.832 . . . . 0.0 109.386 -179.702 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 67.9 tp60 -59.91 -43.24 94.97 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.227 -0.92 . . . . 0.0 109.328 -179.728 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 79.3 mt-10 -69.99 -29.73 66.9 Favored 'General case' 0 C--N 1.303 -1.422 0 O-C-N 121.256 -0.903 . . . . 0.0 109.506 179.896 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 77.2 t80 -59.98 -43.69 94.96 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 120.781 -1.199 . . . . 0.0 109.142 179.225 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 97.3 mmm -60.33 -36.28 77.58 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.262 -0.898 . . . . 0.0 108.909 179.26 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -60.04 -36.39 77.19 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.251 -0.906 . . . . 0.0 109.872 -179.813 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -58.59 -50.92 72.06 Favored 'General case' 0 N--CA 1.491 1.621 0 N-CA-C 108.178 -1.045 . . . . 0.0 108.178 -179.817 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 60.9 t -66.58 -42.61 90.2 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.574 0 O-C-N 121.312 -0.868 . . . . 0.0 110.416 -179.572 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 60.6 p -60.83 -46.19 91.5 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.089 -1.007 . . . . 0.0 110.613 -178.882 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 8.9 ttm -60.21 -49.99 75.43 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 120.984 -1.072 . . . . 0.0 109.99 -179.783 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 79.6 t -67.68 -39.77 82.76 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.49 0 O-C-N 121.573 -0.704 . . . . 0.0 109.801 -179.323 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 81' ' ' THR . . . . . 0.499 ' O ' ' SG ' ' A' ' 84' ' ' CYS . 94.4 m -60.13 -40.3 89.28 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.069 -1.02 . . . . 0.0 110.111 -178.363 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 25.5 p -69.72 -38.79 77.03 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 120.869 -1.144 . . . . 0.0 109.286 179.65 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -79.29 -10.65 59.86 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.39 -0.819 . . . . 0.0 109.948 -179.829 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 84' ' ' CYS . . . . . 0.502 ' SG ' ' O ' ' A' ' 84' ' ' CYS . 12.0 p -55.21 125.97 22.88 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.04 -1.037 . . . . 0.0 109.524 -179.558 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 85' ' ' HIS . . . . . 0.454 ' O ' ' CE1' ' A' ' 87' ' ' PHE . 0.0 OUTLIER -106.87 19.86 19.86 Favored 'General case' 0 N--CA 1.498 1.97 0 O-C-N 121.519 -0.738 . . . . 0.0 109.674 -179.802 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 63.7 mm-40 -56.8 134.5 55.18 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.073 -1.017 . . . . 0.0 109.766 -179.386 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 87' ' ' PHE . . . . . 0.454 ' CE1' ' O ' ' A' ' 85' ' ' HIS . 1.9 m-85 -100.9 108.37 20.12 Favored 'General case' 0 N--CA 1.496 1.855 0 O-C-N 121.408 -0.808 . . . . 0.0 109.596 -179.853 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 23.2 m-85 . . . . . 0 N--CA 1.498 1.958 0 N-CA-C 108.152 -1.055 . . . . 0.0 108.152 179.036 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 45.2 t . . . . . 0 N--CA 1.49 1.572 0 CA-C-O 121.571 0.701 . . . . 0.0 109.261 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 99.6 mt-10 -70.0 -31.85 69.73 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.302 -0.874 . . . . 0.0 110.225 -179.846 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 3' ' ' LEU . . . . . 0.519 ' C ' HD23 ' B' ' 3' ' ' LEU . 9.3 tt -59.96 -49.36 77.98 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.208 -0.932 . . . . 0.0 110.584 -178.252 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 1.1 pp20? -61.09 -40.0 92.06 Favored 'General case' 0 N--CA 1.494 1.755 0 O-C-N 120.647 -1.283 . . . . 0.0 109.871 -179.408 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 87.2 tttt -66.3 -40.34 89.93 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 120.978 -1.077 . . . . 0.0 108.963 179.639 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -61.69 -40.7 95.92 Favored 'General case' 0 N--CA 1.488 1.438 0 O-C-N 121.515 -0.74 . . . . 0.0 110.114 -179.637 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 7' ' ' MET . . . . . . . . . . . . . 27.9 ttt -60.01 -39.99 87.71 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.239 -0.913 . . . . 0.0 109.502 -179.54 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 64.6 t -60.23 -39.89 82.05 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.583 0 O-C-N 121.361 -0.837 . . . . 0.0 109.594 179.459 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.59 -40.88 88.92 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.248 -0.908 . . . . 0.0 111.007 -178.227 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 10' ' ' LEU . . . . . 0.423 ' N ' HD22 ' B' ' 10' ' ' LEU . 4.1 mm? -60.04 -50.0 75.44 Favored 'General case' 0 N--CA 1.495 1.813 0 O-C-N 120.676 -1.265 . . . . 0.0 109.714 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 96.8 mt -60.12 -47.94 89.99 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.533 0 O-C-N 120.97 -1.081 . . . . 0.0 109.782 -179.647 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 10.6 t70 -61.5 -48.34 81.51 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.182 -0.949 . . . . 0.0 110.178 -179.643 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 54.6 t -66.87 -43.77 89.33 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.65 0 O-C-N 120.957 -1.089 . . . . 0.0 110.038 -179.356 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 14' ' ' PHE . . . . . . . . . . . . . 65.0 t80 -59.98 -45.68 91.91 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.048 -1.032 . . . . 0.0 110.033 -179.343 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 3.9 t-80 -61.19 -39.93 92.02 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.203 -0.936 . . . . 0.0 110.722 -178.958 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 65.9 mt-30 -63.87 -58.9 5.37 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 120.917 -1.114 . . . . 0.0 110.576 -178.908 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 49.6 m-85 -64.24 -40.0 95.12 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.02 -1.05 . . . . 0.0 110.263 -179.603 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 60.7 p -65.67 -34.15 77.55 Favored 'General case' 0 C--N 1.298 -1.64 0 O-C-N 121.021 -1.049 . . . . 0.0 109.138 179.845 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -80.7 -14.82 79.16 Favored Glycine 0 N--CA 1.494 2.508 0 C-N-CA 120.096 -1.049 . . . . 0.0 110.535 -179.75 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 23.5 mmt180 -60.08 -39.9 87.7 Favored 'General case' 0 N--CA 1.497 1.888 0 O-C-N 120.836 -1.39 . . . . 0.0 110.486 -179.827 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 13.9 pt-20 -154.35 168.17 27.53 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 120.991 -1.068 . . . . 0.0 110.172 -179.168 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . 101.18 176.19 28.98 Favored Glycine 0 N--CA 1.496 2.677 0 N-CA-C 108.862 -1.695 . . . . 0.0 108.862 -179.683 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 58.0 t0 -59.68 -56.36 22.78 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 120.995 -1.297 . . . . 0.0 108.989 -179.62 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 41.7 mtpt -154.24 -38.82 0.09 Allowed 'General case' 0 N--CA 1.494 1.766 0 O-C-N 121.199 -0.938 . . . . 0.0 110.019 178.734 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 25' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -159.41 75.65 0.66 Allowed 'General case' 0 N--CA 1.489 1.49 0 O-C-N 120.671 -1.268 . . . . 0.0 111.811 -178.744 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 56.6 pttt -144.62 158.81 43.61 Favored 'General case' 0 N--CA 1.497 1.921 0 O-C-N 121.096 -1.003 . . . . 0.0 108.423 177.737 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 89.0 mt -108.38 128.11 54.47 Favored 'General case' 0 N--CA 1.501 2.085 0 O-C-N 121.271 -0.893 . . . . 0.0 110.372 -178.516 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 55.7 tttp -105.45 165.45 11.13 Favored 'General case' 0 N--CA 1.494 1.73 0 N-CA-C 108.201 -1.037 . . . . 0.0 108.201 179.234 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 8.0 ttpm? -60.02 -43.16 95.46 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 120.79 -1.194 . . . . 0.0 110.551 -178.588 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 30' ' ' SER . . . . . 0.427 ' O ' ' OE1' ' B' ' 34' ' ' GLU . 94.7 p -60.61 -40.3 91.36 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 120.895 -1.128 . . . . 0.0 109.922 -179.576 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 85.5 tt0 -60.09 -37.74 80.83 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.383 -0.823 . . . . 0.0 110.072 179.893 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 96.0 mt -60.01 -40.05 87.89 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.196 -0.94 . . . . 0.0 111.017 -178.222 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 7.7 ttpm? -59.97 -49.58 77.13 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 120.415 -1.428 . . . . 0.0 110.116 -178.911 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 34' ' ' GLU . . . . . 0.488 ' OE1' ' N ' ' B' ' 34' ' ' GLU . 22.7 mp0 -69.86 -40.0 76.04 Favored 'General case' 0 N--CA 1.496 1.838 0 O-C-N 120.931 -1.106 . . . . 0.0 110.121 179.774 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 35' ' ' LEU . . . . . 0.462 ' O ' ' OD1' ' B' ' 38' ' ' ASN . 7.7 tt -62.15 -40.75 97.03 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.3 -0.875 . . . . 0.0 110.05 -179.41 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 89.1 mt -69.55 -39.96 79.04 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.597 0 O-C-N 121.156 -0.965 . . . . 0.0 110.722 -178.968 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 28.0 m-20 -60.03 -39.98 87.75 Favored 'General case' 0 N--CA 1.495 1.776 0 O-C-N 121.109 -0.994 . . . . 0.0 112.306 -178.194 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 38' ' ' ASN . . . . . 0.462 ' OD1' ' O ' ' B' ' 35' ' ' LEU . 7.5 p-10 -71.23 -40.02 71.34 Favored 'General case' 0 N--CA 1.495 1.785 0 O-C-N 120.449 -1.407 . . . . 0.0 111.942 -178.086 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -91.79 -79.75 0.37 Allowed 'General case' 0 N--CA 1.504 2.249 0 O-C-N 120.555 -1.341 . . . . 0.0 110.906 -178.92 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 40' ' ' LEU . . . . . 0.503 HD12 ' N ' ' B' ' 40' ' ' LEU . 11.1 mp -72.69 138.5 46.65 Favored 'General case' 0 N--CA 1.497 1.905 0 O-C-N 120.897 -1.127 . . . . 0.0 110.645 -178.494 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 40.5 p -147.99 -53.63 0.2 Allowed 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.61 -0.682 . . . . 0.0 109.524 179.479 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 42' ' ' HIS . . . . . . . . . . . . . 38.0 m80 -91.0 -12.82 34.68 Favored 'General case' 0 N--CA 1.498 1.933 0 O-C-N 121.125 -0.985 . . . . 0.0 110.296 -179.622 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 57.9 m-85 -60.01 -39.94 87.54 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 120.782 -1.199 . . . . 0.0 108.881 -179.613 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 44' ' ' LEU . . . . . 0.851 ' N ' HD13 ' B' ' 44' ' ' LEU . 0.0 OUTLIER -108.72 163.44 13.26 Favored 'General case' 0 N--CA 1.499 2.013 0 N-CA-C 107.397 -1.335 . . . . 0.0 107.397 177.909 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 56.6 mp0 -54.57 -62.21 1.8 Allowed 'General case' 0 N--CA 1.491 1.594 0 O-C-N 120.579 -1.326 . . . . 0.0 109.468 -178.358 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 81.1 tt0 -179.09 142.77 0.2 Allowed 'General case' 0 N--CA 1.497 1.888 0 N-CA-C 109.042 -0.725 . . . . 0.0 109.042 179.22 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 39.9 mm -84.67 120.25 34.96 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.767 0 O-C-N 120.909 -1.119 . . . . 0.0 108.806 179.519 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 32.0 tttm -161.22 -23.45 0.05 Allowed 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.09 -1.006 . . . . 0.0 109.995 179.812 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 49' ' ' GLU . . . . . 0.511 ' OE1' ' N ' ' B' ' 49' ' ' GLU . 57.7 mp0 -101.93 139.97 36.85 Favored 'General case' 0 N--CA 1.496 1.871 0 O-C-N 121.17 -0.956 . . . . 0.0 109.324 179.884 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 26.3 mm100 -68.37 -33.57 74.5 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.425 -0.797 . . . . 0.0 109.593 -179.867 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 59.7 mp0 -60.03 -39.97 87.73 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.348 -0.845 . . . . 0.0 110.249 -179.044 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 74.5 t -59.99 -40.58 83.48 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.626 0 O-C-N 121.062 -1.024 . . . . 0.0 109.725 -178.825 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 54.5 t -69.96 -41.44 79.42 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.601 0 O-C-N 121.128 -0.983 . . . . 0.0 109.589 179.823 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 56.8 t0 -60.21 -44.48 95.12 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.175 -0.953 . . . . 0.0 109.489 -179.6 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 62.7 tttp -60.12 -47.89 84.02 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.326 -0.858 . . . . 0.0 110.204 -179.534 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 54.6 t -67.66 -41.08 85.14 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.581 0 O-C-N 121.185 -0.947 . . . . 0.0 109.61 -179.211 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 57' ' ' MET . . . . . 0.464 ' SD ' ' O ' ' B' ' 57' ' ' MET . 0.0 OUTLIER -66.29 -45.07 81.69 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.411 -0.806 . . . . 0.0 110.09 -179.261 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 7.4 tm-20 -67.44 -44.4 78.78 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.344 -0.847 . . . . 0.0 110.81 -178.904 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 94.0 m -65.76 -40.06 91.68 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.037 -1.039 . . . . 0.0 110.129 -179.228 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 60' ' ' LEU . . . . . 0.475 ' O ' HD23 ' B' ' 60' ' ' LEU . 4.1 tt -64.23 -48.01 77.48 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.22 -0.925 . . . . 0.0 109.484 -179.662 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 61' ' ' ASP . . . . . 0.523 ' OD2' ' N ' ' B' ' 65' ' ' ASP . 31.4 t0 -76.51 95.62 3.92 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.07 -1.019 . . . . 0.0 109.036 -179.929 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 88.1 mt-10 -68.55 -39.98 80.87 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.361 -0.837 . . . . 0.0 110.462 -179.274 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 63' ' ' ASP . . . . . 0.455 ' OD2' ' OD2' ' B' ' 65' ' ' ASP . 29.7 p30 -93.6 1.48 56.66 Favored 'General case' 0 N--CA 1.498 1.947 0 O-C-N 121.156 -0.965 . . . . 0.0 110.146 -179.374 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 61.03 45.78 95.9 Favored Glycine 0 N--CA 1.491 2.347 0 N-CA-C 110.055 -1.218 . . . . 0.0 110.055 179.478 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 65' ' ' ASP . . . . . 0.523 ' N ' ' OD2' ' B' ' 61' ' ' ASP . 95.4 m-20 -69.64 -19.04 63.63 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.127 -1.22 . . . . 0.0 109.456 179.735 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 87.94 -9.8 73.0 Favored Glycine 0 N--CA 1.491 2.329 0 N-CA-C 108.447 -1.861 . . . . 0.0 108.447 -179.439 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 13.6 pt-20 -144.65 154.29 42.64 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.655 -0.909 . . . . 0.0 109.306 -179.752 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 68' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -112.97 129.45 56.48 Favored 'General case' 0 N--CA 1.502 2.13 0 N-CA-C 108.948 -0.76 . . . . 0.0 108.948 179.91 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 69' ' ' ASP . . . . . 0.513 ' OD1' ' N ' ' B' ' 70' ' ' PHE . 16.3 t70 -90.52 -177.71 5.12 Favored 'General case' 0 N--CA 1.494 1.743 0 O-C-N 121.436 -0.79 . . . . 0.0 110.007 -179.67 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 70' ' ' PHE . . . . . 0.513 ' N ' ' OD1' ' B' ' 69' ' ' ASP . 28.6 t80 -60.0 -41.31 91.83 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.497 -0.752 . . . . 0.0 109.419 -179.859 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 66.2 tp60 -60.02 -43.41 95.27 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.311 -0.868 . . . . 0.0 109.368 -179.793 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 79.8 mt-10 -69.45 -29.97 67.78 Favored 'General case' 0 C--N 1.303 -1.44 0 O-C-N 121.19 -0.944 . . . . 0.0 109.611 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 73' ' ' PHE . . . . . . . . . . . . . 76.2 t80 -60.11 -43.79 95.33 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.002 -1.061 . . . . 0.0 109.136 179.411 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 74' ' ' MET . . . . . . . . . . . . . 97.6 mmm -60.13 -35.54 75.5 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.333 -0.854 . . . . 0.0 108.746 179.159 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -60.08 -37.76 80.86 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.515 -0.74 . . . . 0.0 109.73 -179.83 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -57.89 -51.09 71.04 Favored 'General case' 0 N--CA 1.493 1.715 0 N-CA-C 108.356 -0.979 . . . . 0.0 108.356 -179.792 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 77' ' ' VAL . . . . . . . . . . . . . 60.0 t -66.47 -42.48 90.32 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.529 0 O-C-N 121.379 -0.826 . . . . 0.0 110.367 -179.474 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 78' ' ' SER . . . . . . . . . . . . . 59.7 p -60.59 -46.73 89.13 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.157 -0.964 . . . . 0.0 110.6 -178.974 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 79' ' ' MET . . . . . . . . . . . . . 9.7 ttm -60.0 -50.05 75.25 Favored 'General case' 0 N--CA 1.494 1.745 0 O-C-N 121.026 -1.046 . . . . 0.0 109.963 -179.596 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 64.0 t -67.83 -39.85 82.6 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.482 0 O-C-N 121.474 -0.766 . . . . 0.0 109.89 -179.093 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 81' ' ' THR . . . . . 0.49 ' O ' ' SG ' ' B' ' 84' ' ' CYS . 87.7 m -59.97 -40.18 88.17 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.226 -0.921 . . . . 0.0 110.127 -178.385 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 29.3 p -69.98 -38.27 75.98 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 120.952 -1.092 . . . . 0.0 109.369 179.607 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -79.47 -11.09 59.91 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.318 -0.864 . . . . 0.0 109.786 -179.874 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 84' ' ' CYS . . . . . 0.5 ' SG ' ' O ' ' B' ' 84' ' ' CYS . 11.4 p -54.88 126.13 23.08 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.169 -0.957 . . . . 0.0 109.758 -179.645 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 85' ' ' HIS . . . . . 0.481 ' O ' ' CE1' ' B' ' 87' ' ' PHE . 0.0 OUTLIER -107.3 19.98 19.58 Favored 'General case' 0 N--CA 1.499 1.995 0 O-C-N 121.499 -0.75 . . . . 0.0 109.588 -179.719 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 63.7 mm-40 -56.86 134.43 55.29 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.189 -0.944 . . . . 0.0 109.549 -179.437 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 87' ' ' PHE . . . . . 0.481 ' CE1' ' O ' ' B' ' 85' ' ' HIS . 2.0 m-85 -100.78 108.56 20.41 Favored 'General case' 0 N--CA 1.494 1.764 0 O-C-N 121.493 -0.755 . . . . 0.0 109.613 -179.841 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 22.8 m-85 . . . . . 0 N--CA 1.498 1.972 0 N-CA-C 108.205 -1.035 . . . . 0.0 108.205 179.099 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 28.2 t . . . . . 0 N--CA 1.489 1.516 0 CA-C-O 121.466 0.651 . . . . 0.0 109.585 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 63.4 mm-40 -59.94 -36.59 77.38 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.487 -0.758 . . . . 0.0 109.319 179.874 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 3' ' ' LEU . . . . . 0.509 HD13 ' O ' ' A' ' 3' ' ' LEU . 0.3 OUTLIER -59.24 -48.28 82.22 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.337 -0.852 . . . . 0.0 109.298 -179.334 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 4' ' ' GLU . . . . . 0.483 ' OE1' ' CE1' ' B' ' 43' ' ' PHE . 43.0 mm-40 -60.84 -42.15 97.22 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 120.894 -1.129 . . . . 0.0 109.593 -179.938 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 54.3 mttp -68.76 -38.4 80.07 Favored 'General case' 0 N--CA 1.495 1.797 0 O-C-N 121.425 -0.797 . . . . 0.0 110.622 -179.903 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -59.23 -39.93 84.31 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.086 -1.009 . . . . 0.0 109.359 -179.022 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 36.3 tpp -60.04 -44.49 94.63 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.218 -0.927 . . . . 0.0 108.886 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 76.7 t -69.94 -40.01 78.19 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.716 0 O-C-N 121.301 -0.874 . . . . 0.0 110.06 179.709 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -47.55 -50.84 22.76 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.277 -0.889 . . . . 0.0 110.632 -178.265 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.425 ' N ' HD12 ' A' ' 10' ' ' LEU . 10.0 mp -60.08 -43.12 95.72 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 120.816 -1.178 . . . . 0.0 109.94 -179.45 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 96.7 mt -69.99 -40.04 78.13 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.66 0 O-C-N 121.21 -0.932 . . . . 0.0 111.002 -179.082 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 37.2 t0 -65.23 -49.95 67.71 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.111 -0.993 . . . . 0.0 110.651 -178.698 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 53.9 t -67.2 -46.99 82.94 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.563 0 O-C-N 121.113 -0.992 . . . . 0.0 110.161 -178.933 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 62.5 t80 -60.05 -49.53 77.29 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.121 -0.987 . . . . 0.0 110.321 -179.203 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 86.3 t60 -60.0 -47.57 85.3 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.191 -0.943 . . . . 0.0 110.968 -178.902 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 62.6 mt-30 -64.99 -53.9 38.88 Favored 'General case' 0 C--N 1.3 -1.571 0 O-C-N 121.172 -0.955 . . . . 0.0 111.408 -178.496 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 63.4 t80 -69.74 -40.93 75.87 Favored 'General case' 0 N--CA 1.495 1.78 0 O-C-N 120.995 -1.066 . . . . 0.0 111.239 -178.422 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 23.3 t -64.3 -40.17 95.4 Favored 'General case' 0 N--CA 1.494 1.736 0 O-C-N 121.123 -0.986 . . . . 0.0 111.408 -178.487 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -69.6 -14.7 70.05 Favored Glycine 0 N--CA 1.495 2.611 0 C-N-CA 119.856 -1.164 . . . . 0.0 110.999 -178.287 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 19.7 mmt180 -63.1 -40.02 96.4 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 120.917 -1.343 . . . . 0.0 109.971 -179.709 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 77.6 mm-40 -113.56 129.81 56.48 Favored 'General case' 0 N--CA 1.5 2.039 0 O-C-N 121.456 -0.777 . . . . 0.0 109.763 -179.428 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 84.22 -13.54 49.76 Favored Glycine 0 N--CA 1.495 2.6 0 N-CA-C 110.007 -1.237 . . . . 0.0 110.007 179.518 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 45.3 t0 50.07 40.01 20.49 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.215 -1.168 . . . . 0.0 109.612 -179.917 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 28.5 ttmt -160.11 -125.49 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.092 -1.005 . . . . 0.0 108.893 179.681 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 97.6 m-70 -146.38 75.86 1.42 Allowed 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.029 -1.044 . . . . 0.0 109.358 179.815 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -145.78 147.5 31.94 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.41 -0.806 . . . . 0.0 109.399 179.568 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 41.3 mt -128.95 126.93 40.7 Favored 'General case' 0 N--CA 1.496 1.84 0 N-CA-C 108.503 -0.925 . . . . 0.0 108.503 179.627 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.479 ' HG3' ' H ' ' A' ' 31' ' ' GLU . 0.1 OUTLIER -100.77 -176.62 3.23 Favored 'General case' 0 N--CA 1.498 1.928 0 O-C-N 121.335 -0.853 . . . . 0.0 109.11 179.722 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 1.6 mppt? -60.06 -49.52 77.34 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.195 -0.94 . . . . 0.0 110.608 -178.828 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 62.7 m -63.03 -43.2 99.36 Favored 'General case' 0 N--CA 1.495 1.781 0 O-C-N 121.136 -0.977 . . . . 0.0 110.864 -179.047 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' GLU . . . . . 0.479 ' H ' ' HG3' ' A' ' 28' ' ' LYS . 84.7 tt0 -64.64 -39.96 94.63 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.299 -0.876 . . . . 0.0 110.532 -179.025 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 55.5 tp -59.97 -49.38 77.92 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.187 -0.946 . . . . 0.0 109.327 -178.738 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 9.6 mtpm? -60.73 -40.17 91.37 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.093 -1.004 . . . . 0.0 109.833 179.911 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 72.7 mm-40 -65.73 -39.98 91.7 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.311 -0.868 . . . . 0.0 110.074 -179.722 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.622 ' O ' HD23 ' A' ' 35' ' ' LEU . 3.1 tt -60.67 -46.13 91.51 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.173 -0.955 . . . . 0.0 109.061 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 89.1 mt -60.02 -42.47 89.78 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.653 0 O-C-N 121.195 -0.941 . . . . 0.0 109.805 -179.754 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 82.5 m-20 -72.04 -15.73 62.04 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.344 -0.847 . . . . 0.0 110.239 -179.514 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 38' ' ' ASN . . . . . 0.429 ' OD1' ' OE1' ' A' ' 39' ' ' GLU . 41.4 t-20 -59.89 -50.11 75.05 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.093 -1.004 . . . . 0.0 110.677 -178.259 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 39' ' ' GLU . . . . . 0.429 ' OE1' ' OD1' ' A' ' 38' ' ' ASN . 0.6 OUTLIER -154.58 -14.85 0.12 Allowed 'General case' 0 N--CA 1.501 2.078 0 O-C-N 120.542 -1.349 . . . . 0.0 110.21 179.099 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.431 ' N ' HD12 ' A' ' 40' ' ' LEU . 11.1 mp -85.47 7.86 21.21 Favored 'General case' 0 N--CA 1.495 1.78 0 O-C-N 120.887 -1.133 . . . . 0.0 109.049 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 38.9 p -59.99 -39.94 87.46 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.291 -0.88 . . . . 0.0 109.53 179.905 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 46.7 t-80 -63.49 -42.14 98.55 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.227 -0.921 . . . . 0.0 110.085 -179.553 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 43' ' ' PHE . . . . . 0.502 ' CE1' ' OE1' ' B' ' 4' ' ' GLU . 4.4 m-85 -69.26 -46.89 66.17 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.161 -0.962 . . . . 0.0 110.245 -179.516 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 66.2 mt -116.63 130.06 56.52 Favored 'General case' 0 N--CA 1.499 1.993 0 O-C-N 121.488 -0.758 . . . . 0.0 109.68 -179.217 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 45' ' ' GLU . . . . . 0.4 ' O ' ' CD ' ' A' ' 45' ' ' GLU . 11.4 tm-20 -150.91 10.55 0.62 Allowed 'General case' 0 N--CA 1.491 1.607 0 N-CA-C 108.777 -0.823 . . . . 0.0 108.777 -179.812 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -78.25 -10.03 59.48 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.084 -1.01 . . . . 0.0 109.526 -179.887 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 94.5 mt -73.85 127.6 35.78 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.393 0 C-N-CA 119.482 -0.887 . . . . 0.0 109.466 -179.728 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 41.2 tttp -136.35 -53.49 0.73 Allowed 'General case' 0 N--CA 1.494 1.764 0 O-C-N 121.547 -0.721 . . . . 0.0 109.194 -179.813 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 27.1 mp0 -93.29 148.52 21.97 Favored 'General case' 0 N--CA 1.497 1.924 0 O-C-N 121.066 -1.021 . . . . 0.0 109.619 179.423 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 3.1 mp0 -60.0 -32.01 70.46 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.373 -0.83 . . . . 0.0 109.641 -179.933 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -59.82 -37.46 79.26 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.336 -0.853 . . . . 0.0 109.505 -179.223 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 53.5 t -59.98 -40.32 82.72 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.515 0 O-C-N 121.156 -0.965 . . . . 0.0 109.186 -179.629 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 54.4 t -64.97 -41.22 91.54 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.606 0 O-C-N 121.024 -1.048 . . . . 0.0 109.226 179.277 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 8.4 t70 -60.41 -43.25 96.89 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.224 -0.923 . . . . 0.0 109.529 179.901 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 32.9 ttmt -59.95 -43.5 94.97 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.456 -0.778 . . . . 0.0 109.949 -179.757 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 53.8 t -66.01 -40.16 86.53 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.499 0 O-C-N 121.228 -0.92 . . . . 0.0 109.649 -179.419 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 3.7 ttt -63.6 -44.92 92.58 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.154 -0.966 . . . . 0.0 110.333 -179.675 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 38.4 mm-40 -61.81 -40.22 94.47 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 120.946 -1.096 . . . . 0.0 109.638 -179.835 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 94.4 m -70.07 -43.33 71.4 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.396 -0.815 . . . . 0.0 109.72 179.612 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 34.3 tp -62.52 -46.91 86.25 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.45 -0.781 . . . . 0.0 110.563 -179.391 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 95.8 m-20 -80.22 111.32 16.48 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.079 -1.013 . . . . 0.0 109.522 -179.297 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 26.0 mp0 -70.0 -39.79 75.68 Favored 'General case' 0 C--N 1.303 -1.445 0 O-C-N 121.565 -0.71 . . . . 0.0 109.902 -179.788 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 63' ' ' ASP . . . . . 0.402 ' OD1' ' N ' ' A' ' 63' ' ' ASP . 36.7 p-10 -86.99 -6.77 58.65 Favored 'General case' 0 N--CA 1.495 1.822 0 O-C-N 121.183 -0.948 . . . . 0.0 110.351 -179.306 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 56.89 43.15 92.66 Favored Glycine 0 N--CA 1.49 2.297 0 N-CA-C 109.797 -1.321 . . . . 0.0 109.797 179.619 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 33.3 p-10 -68.44 -20.33 64.63 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 120.962 -1.316 . . . . 0.0 109.385 -179.792 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 102.34 -11.84 56.91 Favored Glycine 0 N--CA 1.499 2.889 0 N-CA-C 110.422 -1.071 . . . . 0.0 110.422 179.391 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 20.8 pt-20 -141.44 155.44 45.86 Favored 'General case' 0 N--CA 1.497 1.891 0 O-C-N 120.979 -1.306 . . . . 0.0 109.358 179.715 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 98.1 m -102.15 123.85 46.72 Favored 'General case' 0 N--CA 1.499 2.007 0 O-C-N 121.322 -0.861 . . . . 0.0 109.942 -179.458 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 71.9 m-20 -96.68 175.82 6.24 Favored 'General case' 0 N--CA 1.496 1.837 0 O-C-N 121.476 -0.765 . . . . 0.0 109.663 -179.855 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 73.8 t80 -60.07 -41.45 92.44 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.313 -0.867 . . . . 0.0 110.365 -179.596 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 93.0 mt-30 -60.0 -42.02 93.33 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 120.753 -1.217 . . . . 0.0 109.788 179.805 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 76.9 mt-10 -68.8 -38.32 79.85 Favored 'General case' 0 C--N 1.302 -1.482 0 O-C-N 121.446 -0.784 . . . . 0.0 110.021 -179.601 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 64.4 t80 -60.0 -40.45 89.23 Favored 'General case' 0 N--CA 1.494 1.733 0 O-C-N 121.175 -0.953 . . . . 0.0 110.604 -179.474 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 74' ' ' MET . . . . . 0.523 ' SD ' ' O ' ' A' ' 74' ' ' MET . 0.0 OUTLIER -60.11 -40.6 90.24 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 120.833 -1.167 . . . . 0.0 108.524 -179.748 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -60.78 -38.6 85.84 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.429 -0.794 . . . . 0.0 109.985 179.29 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 66.0 t80 -60.01 -44.11 94.8 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.259 -0.901 . . . . 0.0 110.231 -179.168 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 61.4 t -60.01 -44.27 94.38 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.474 0 O-C-N 120.973 -1.079 . . . . 0.0 109.035 179.837 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 57.2 m -60.1 -39.96 87.98 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.366 -0.833 . . . . 0.0 110.395 -179.534 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 95.5 mtp -64.57 -40.01 94.79 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.203 -0.936 . . . . 0.0 109.92 -179.49 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 83.4 t -69.37 -41.77 80.96 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.499 0 O-C-N 121.214 -0.929 . . . . 0.0 109.408 -179.68 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 81' ' ' THR . . . . . 0.424 ' O ' ' SG ' ' A' ' 84' ' ' CYS . 94.4 m -64.6 -42.74 95.37 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.243 -0.911 . . . . 0.0 109.474 -179.705 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 28.7 p -70.54 -38.75 74.23 Favored 'General case' 0 C--N 1.302 -1.484 0 O-C-N 121.214 -0.929 . . . . 0.0 109.385 179.541 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -68.04 -40.09 82.92 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.323 -0.86 . . . . 0.0 110.145 -179.814 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 84' ' ' CYS . . . . . 0.424 ' SG ' ' O ' ' A' ' 81' ' ' THR . 14.5 p -61.98 150.39 38.02 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.099 -1.001 . . . . 0.0 109.477 -179.773 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 16.3 m-70 -72.6 149.65 43.78 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.215 -0.928 . . . . 0.0 109.674 -179.606 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 92.1 mt-10 -67.58 -39.98 84.86 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.223 -0.923 . . . . 0.0 109.702 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 8.6 m-85 -92.65 100.47 12.97 Favored 'General case' 0 N--CA 1.496 1.844 0 O-C-N 121.206 -0.933 . . . . 0.0 110.57 -178.89 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 15.9 t80 . . . . . 0 N--CA 1.496 1.863 0 N-CA-C 108.17 -1.048 . . . . 0.0 108.17 178.543 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 32.6 t . . . . . 0 N--CA 1.489 1.511 0 CA-C-O 121.435 0.636 . . . . 0.0 109.515 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 62.4 mm-40 -60.04 -36.41 77.25 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.46 -0.775 . . . . 0.0 109.425 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 3' ' ' LEU . . . . . 0.503 HD13 ' O ' ' B' ' 3' ' ' LEU . 0.3 OUTLIER -59.62 -47.92 83.68 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.276 -0.89 . . . . 0.0 109.276 -179.267 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' B' B ' 4' ' ' GLU . . . . . 0.502 ' OE1' ' CE1' ' A' ' 43' ' ' PHE . 42.9 mm-40 -60.62 -42.35 96.69 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 120.858 -1.151 . . . . 0.0 109.673 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 55.6 mttp -68.93 -37.76 79.1 Favored 'General case' 0 N--CA 1.496 1.837 0 O-C-N 121.415 -0.803 . . . . 0.0 110.658 -179.83 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -59.37 -40.05 85.27 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.167 -0.958 . . . . 0.0 109.183 -179.132 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 7' ' ' MET . . . . . . . . . . . . . 36.5 tpp -59.97 -44.61 94.35 Favored 'General case' 0 C--N 1.301 -1.535 0 O-C-N 121.273 -0.892 . . . . 0.0 108.902 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 73.8 t -69.98 -39.92 78.01 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.667 0 O-C-N 121.463 -0.773 . . . . 0.0 110.099 179.899 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -47.87 -50.87 25.12 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.302 -0.874 . . . . 0.0 110.669 -178.237 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 10' ' ' LEU . . . . . 0.426 HD12 ' N ' ' B' ' 10' ' ' LEU . 9.5 mp -60.15 -43.12 96.02 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 120.979 -1.076 . . . . 0.0 109.838 -179.483 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 96.9 mt -69.95 -39.96 78.12 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.641 0 O-C-N 121.081 -1.012 . . . . 0.0 110.974 -179.027 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 37.9 t0 -65.18 -49.98 67.71 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 120.899 -1.126 . . . . 0.0 110.604 -178.766 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 67.5 t -67.16 -46.96 83.1 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.597 0 O-C-N 121.182 -0.949 . . . . 0.0 110.129 -178.804 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 14' ' ' PHE . . . . . . . . . . . . . 62.1 t80 -59.93 -49.63 76.94 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 120.995 -1.066 . . . . 0.0 110.338 -179.23 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 86.4 t60 -60.02 -47.81 84.31 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.226 -0.921 . . . . 0.0 110.849 -178.811 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 61.7 mt-30 -64.84 -53.9 39.51 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.027 -1.046 . . . . 0.0 111.381 -178.459 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 62.9 t80 -69.74 -40.93 75.88 Favored 'General case' 0 N--CA 1.496 1.84 0 O-C-N 120.961 -1.087 . . . . 0.0 111.275 -178.395 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 23.2 t -64.5 -39.93 94.71 Favored 'General case' 0 N--CA 1.495 1.775 0 O-C-N 121.039 -1.038 . . . . 0.0 111.573 -178.463 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -70.04 -14.24 70.66 Favored Glycine 0 N--CA 1.495 2.6 0 C-N-CA 119.833 -1.175 . . . . 0.0 110.828 -178.214 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 19.9 mmt180 -63.18 -39.98 96.2 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 120.795 -1.415 . . . . 0.0 110.046 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 77.3 mm-40 -113.72 129.29 56.6 Favored 'General case' 0 N--CA 1.5 2.029 0 O-C-N 121.514 -0.741 . . . . 0.0 109.823 -179.441 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . 84.8 -13.39 53.54 Favored Glycine 0 N--CA 1.494 2.531 0 N-CA-C 109.944 -1.262 . . . . 0.0 109.944 179.464 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 43.9 t0 50.01 40.04 20.32 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.235 -1.156 . . . . 0.0 109.79 -179.884 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 29.2 ttmt -160.18 -125.19 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.216 -0.927 . . . . 0.0 108.952 179.761 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 25' ' ' HIS . . . . . . . . . . . . . 97.9 m-70 -146.77 75.38 1.39 Allowed 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.042 -1.036 . . . . 0.0 109.307 179.927 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -145.31 147.65 32.56 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 121.47 -0.768 . . . . 0.0 109.377 179.46 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 46.8 mt -128.73 127.07 41.35 Favored 'General case' 0 N--CA 1.495 1.811 0 N-CA-C 108.515 -0.92 . . . . 0.0 108.515 179.573 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 28' ' ' LYS . . . . . 0.472 ' HG3' ' H ' ' B' ' 31' ' ' GLU . 0.1 OUTLIER -100.86 -176.71 3.25 Favored 'General case' 0 N--CA 1.498 1.938 0 O-C-N 121.327 -0.858 . . . . 0.0 109.078 179.582 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 1.8 mppt? -59.95 -49.73 76.55 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.284 -0.885 . . . . 0.0 110.553 -179.003 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 68.1 m -62.86 -43.57 98.46 Favored 'General case' 0 N--CA 1.495 1.808 0 O-C-N 121.097 -1.002 . . . . 0.0 110.852 -179.029 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 31' ' ' GLU . . . . . 0.472 ' H ' ' HG3' ' B' ' 28' ' ' LYS . 85.6 tt0 -64.41 -39.96 94.85 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.303 -0.873 . . . . 0.0 110.55 -179.018 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 63.5 tp -59.95 -49.43 77.7 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.2 -0.938 . . . . 0.0 109.362 -178.768 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 9.8 mtpm? -60.55 -40.36 91.31 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.097 -1.002 . . . . 0.0 109.835 179.804 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 72.7 mm-40 -65.56 -40.04 92.35 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.344 -0.847 . . . . 0.0 110.052 -179.69 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 35' ' ' LEU . . . . . 0.618 ' O ' HD23 ' B' ' 35' ' ' LEU . 2.8 tt -60.61 -46.16 91.3 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.052 -1.03 . . . . 0.0 109.096 -179.94 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 89.3 mt -60.03 -42.54 90.06 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.643 0 O-C-N 121.179 -0.951 . . . . 0.0 109.797 -179.746 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 82.6 m-20 -72.07 -15.47 62.02 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.359 -0.838 . . . . 0.0 110.281 -179.588 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 38' ' ' ASN . . . . . 0.415 ' OD1' ' OE1' ' B' ' 39' ' ' GLU . 41.2 t-20 -60.03 -50.03 75.32 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.204 -0.935 . . . . 0.0 110.696 -178.357 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 39' ' ' GLU . . . . . 0.415 ' OE1' ' OD1' ' B' ' 38' ' ' ASN . 0.7 OUTLIER -154.71 -14.97 0.12 Allowed 'General case' 0 N--CA 1.499 2.017 0 O-C-N 120.497 -1.377 . . . . 0.0 110.263 179.095 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' B' B ' 40' ' ' LEU . . . . . 0.415 HD12 ' N ' ' B' ' 40' ' ' LEU . 11.0 mp -85.31 7.66 21.47 Favored 'General case' 0 N--CA 1.495 1.795 0 O-C-N 120.911 -1.118 . . . . 0.0 109.053 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 28.0 p -59.94 -39.96 87.32 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.355 -0.841 . . . . 0.0 109.634 179.844 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 42' ' ' HIS . . . . . . . . . . . . . 47.0 t-80 -63.38 -42.53 98.84 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.245 -0.909 . . . . 0.0 110.037 -179.525 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 43' ' ' PHE . . . . . 0.483 ' CE1' ' OE1' ' A' ' 4' ' ' GLU . 4.4 m-85 -69.09 -46.67 67.17 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.199 -0.938 . . . . 0.0 110.14 -179.473 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 69.3 mt -116.62 129.89 56.42 Favored 'General case' 0 N--CA 1.499 1.982 0 O-C-N 121.487 -0.758 . . . . 0.0 109.717 -179.086 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 45' ' ' GLU . . . . . 0.4 ' O ' ' CD ' ' B' ' 45' ' ' GLU . 11.3 tm-20 -150.95 10.78 0.63 Allowed 'General case' 0 N--CA 1.492 1.65 0 N-CA-C 108.839 -0.8 . . . . 0.0 108.839 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -78.52 -10.04 59.57 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.021 -1.049 . . . . 0.0 109.594 -179.871 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 90.3 mt -73.54 127.36 35.39 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.459 0 O-C-N 121.165 -0.96 . . . . 0.0 109.331 -179.876 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 43.0 tttp -135.89 -53.7 0.76 Allowed 'General case' 0 N--CA 1.493 1.724 0 N-CA-C 109.041 -0.725 . . . . 0.0 109.041 -179.788 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 27.2 mp0 -93.45 148.93 21.63 Favored 'General case' 0 N--CA 1.498 1.971 0 O-C-N 121.237 -0.914 . . . . 0.0 109.718 179.564 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 3.2 mp0 -60.01 -32.17 70.62 Favored 'General case' 0 N--CA 1.494 1.768 0 O-C-N 121.393 -0.817 . . . . 0.0 109.631 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -60.06 -37.09 78.83 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.296 -0.878 . . . . 0.0 109.521 -179.337 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 58.1 t -60.03 -40.86 84.4 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.493 0 O-C-N 121.219 -0.925 . . . . 0.0 109.242 -179.889 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 54.4 t -64.83 -41.39 92.05 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.587 0 O-C-N 121.004 -1.06 . . . . 0.0 109.046 179.756 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 8.4 t70 -60.18 -42.75 95.68 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.22 -0.925 . . . . 0.0 109.594 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 33.2 ttmt -60.68 -42.92 98.08 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.3 -0.875 . . . . 0.0 109.821 -179.79 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 77.5 t -66.3 -40.11 85.94 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.479 0 O-C-N 121.23 -0.918 . . . . 0.0 109.62 -179.537 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 57' ' ' MET . . . . . . . . . . . . . 3.8 ttt -63.71 -44.54 93.3 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.146 -0.971 . . . . 0.0 110.344 -179.43 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 38.2 mm-40 -62.2 -40.18 95.22 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 120.994 -1.066 . . . . 0.0 109.603 -179.882 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 94.2 m -70.01 -43.33 71.59 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.31 -0.869 . . . . 0.0 109.753 179.625 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 35.7 tp -62.46 -47.08 85.6 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.51 -0.744 . . . . 0.0 110.595 -179.454 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 95.5 m-20 -80.07 111.22 16.21 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.096 -1.002 . . . . 0.0 109.598 -179.348 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 25.9 mp0 -69.97 -39.96 75.66 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.566 -0.709 . . . . 0.0 109.86 -179.694 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 37.3 p-10 -86.71 -7.04 58.64 Favored 'General case' 0 N--CA 1.495 1.792 0 O-C-N 121.278 -0.889 . . . . 0.0 110.341 -179.483 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 57.01 42.96 93.24 Favored Glycine 0 N--CA 1.49 2.282 0 N-CA-C 109.872 -1.291 . . . . 0.0 109.872 179.623 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 33.7 p-10 -68.38 -20.33 64.68 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.0 -1.294 . . . . 0.0 109.295 -179.762 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 102.3 -11.39 56.91 Favored Glycine 0 N--CA 1.498 2.827 0 N-CA-C 110.507 -1.037 . . . . 0.0 110.507 179.281 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 20.7 pt-20 -141.59 155.05 45.78 Favored 'General case' 0 N--CA 1.497 1.891 0 O-C-N 121.081 -1.247 . . . . 0.0 109.266 179.663 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 68' ' ' CYS . . . . . . . . . . . . . 83.5 m -101.83 124.06 46.83 Favored 'General case' 0 N--CA 1.5 2.043 0 O-C-N 121.31 -0.869 . . . . 0.0 109.934 -179.509 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 73.0 m-20 -96.71 175.64 6.3 Favored 'General case' 0 N--CA 1.495 1.802 0 O-C-N 121.551 -0.718 . . . . 0.0 109.607 -179.891 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 71.3 t80 -60.03 -41.09 91.5 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.362 -0.836 . . . . 0.0 110.3 -179.571 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 90.1 mt-30 -60.02 -42.5 94.47 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 120.941 -1.099 . . . . 0.0 109.724 179.904 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 76.1 mt-10 -68.7 -38.02 79.98 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.311 -0.868 . . . . 0.0 109.99 -179.671 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 73' ' ' PHE . . . . . . . . . . . . . 64.7 t80 -60.03 -40.38 89.13 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.097 -1.002 . . . . 0.0 110.639 -179.358 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 74' ' ' MET . . . . . 0.515 ' SD ' ' O ' ' B' ' 74' ' ' MET . 0.0 OUTLIER -60.04 -40.69 90.25 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 120.923 -1.11 . . . . 0.0 108.501 -179.823 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -60.85 -38.8 86.75 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.485 -0.759 . . . . 0.0 110.015 179.415 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 64.7 t80 -59.97 -43.88 94.82 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.294 -0.878 . . . . 0.0 110.237 -179.168 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 77' ' ' VAL . . . . . . . . . . . . . 53.4 t -60.07 -44.57 95.21 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.511 0 O-C-N 121.033 -1.042 . . . . 0.0 109.043 179.746 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 78' ' ' SER . . . . . 0.431 ' OG ' ' SD ' ' A' ' 74' ' ' MET . 52.3 m -59.97 -40.07 87.82 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.481 -0.762 . . . . 0.0 110.371 -179.449 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 79' ' ' MET . . . . . . . . . . . . . 96.6 mtp -64.28 -40.05 95.17 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.094 -1.004 . . . . 0.0 109.932 -179.395 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 73.8 t -69.43 -41.68 80.78 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.413 0 O-C-N 121.229 -0.92 . . . . 0.0 109.482 -179.773 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 81' ' ' THR . . . . . 0.436 ' O ' ' SG ' ' B' ' 84' ' ' CYS . 94.7 m -64.48 -42.9 95.61 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.229 -0.92 . . . . 0.0 109.6 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 20.2 p -70.38 -39.11 74.75 Favored 'General case' 0 C--N 1.302 -1.49 0 O-C-N 121.176 -0.953 . . . . 0.0 109.363 179.432 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -67.72 -39.98 84.27 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.415 -0.803 . . . . 0.0 110.259 -179.605 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 84' ' ' CYS . . . . . 0.436 ' SG ' ' O ' ' B' ' 81' ' ' THR . 14.7 p -62.24 150.33 39.37 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 120.943 -1.098 . . . . 0.0 109.431 -179.904 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 85' ' ' HIS . . . . . . . . . . . . . 16.3 m-70 -72.36 149.98 43.87 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.209 -0.932 . . . . 0.0 109.622 -179.648 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 92.2 mt-10 -67.92 -40.05 83.42 Favored 'General case' 0 N--CA 1.488 1.454 0 O-C-N 121.305 -0.872 . . . . 0.0 109.698 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 87' ' ' PHE . . . . . . . . . . . . . 7.9 m-85 -92.6 100.53 13.03 Favored 'General case' 0 N--CA 1.496 1.853 0 O-C-N 121.199 -0.938 . . . . 0.0 110.468 -178.874 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 15.9 t80 . . . . . 0 N--CA 1.496 1.848 0 N-CA-C 108.167 -1.049 . . . . 0.0 108.167 178.535 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 1.9 t . . . . . 0 N--CA 1.489 1.482 0 N-CA-C 109.159 -0.682 . . . . 0.0 109.159 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 95.4 mt-10 -60.08 -31.2 69.79 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.206 -0.934 . . . . 0.0 109.144 179.835 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 65.1 tp -60.0 -48.61 81.0 Favored 'General case' 0 N--CA 1.488 1.455 0 O-C-N 121.205 -0.934 . . . . 0.0 109.074 -179.674 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 85.6 tt0 -60.12 -40.42 89.67 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.153 -0.967 . . . . 0.0 109.091 179.664 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 17.2 mtpp -67.07 -36.25 81.6 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.556 -0.715 . . . . 0.0 109.725 -179.935 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -59.97 -43.33 95.14 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.386 -0.821 . . . . 0.0 109.981 -178.745 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 57.1 mtt -60.06 -42.95 95.62 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 120.827 -1.171 . . . . 0.0 108.962 179.503 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 53.9 t -69.95 -40.09 78.26 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.45 0 O-C-N 121.353 -0.842 . . . . 0.0 109.131 179.335 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.01 -43.78 94.99 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.475 -0.766 . . . . 0.0 110.631 -179.301 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 1.2 mt -60.02 -49.73 76.5 Favored 'General case' 0 N--CA 1.494 1.746 0 O-C-N 121.053 -1.029 . . . . 0.0 109.46 -179.52 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 96.7 mt -60.58 -45.63 96.9 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.486 0 O-C-N 121.131 -0.981 . . . . 0.0 109.958 -179.907 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 95.9 m-20 -61.28 -41.38 96.85 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.363 -0.836 . . . . 0.0 110.709 -178.538 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 53.8 t -70.02 -46.21 73.82 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.736 0 O-C-N 120.871 -1.143 . . . . 0.0 110.128 -179.115 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 65.3 t80 -60.03 -41.24 91.79 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.144 -0.972 . . . . 0.0 110.173 -179.481 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 52.4 t-80 -60.75 -46.35 90.79 Favored 'General case' 0 C--N 1.3 -1.552 0 O-C-N 121.353 -0.842 . . . . 0.0 110.956 -179.278 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 74.1 mt-30 -60.93 -50.76 72.1 Favored 'General case' 0 N--CA 1.495 1.818 0 O-C-N 120.987 -1.071 . . . . 0.0 111.143 -178.639 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 63.8 m-85 -71.0 -37.59 72.68 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 121.006 -1.059 . . . . 0.0 110.309 -179.721 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' SER . . . . . 0.493 ' O ' ' O ' ' A' ' 23' ' ' ASP . 72.0 m -60.08 -41.19 91.93 Favored 'General case' 0 C--N 1.299 -1.6 0 O-C-N 121.122 -0.986 . . . . 0.0 110.142 -178.962 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -75.47 19.73 2.37 Favored Glycine 0 N--CA 1.493 2.474 0 C-N-CA 120.085 -1.055 . . . . 0.0 110.602 -179.386 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' ARG . . . . . 0.43 ' NH1' ' OE1' ' A' ' 34' ' ' GLU . 66.9 ttt180 -59.99 -44.96 94.17 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.11 -1.23 . . . . 0.0 110.412 -179.676 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.433 ' O ' ' C ' ' A' ' 22' ' ' GLY . 82.0 tt0 -164.97 114.4 1.09 Allowed 'General case' 0 N--CA 1.493 1.71 0 O-C-N 120.682 -1.261 . . . . 0.0 111.241 -179.551 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 22' ' ' GLY . . . . . 0.433 ' C ' ' O ' ' A' ' 21' ' ' GLU . . . 32.64 41.54 0.11 Allowed Glycine 0 N--CA 1.502 3.066 0 N-CA-C 111.872 -0.491 . . . . 0.0 111.872 178.291 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 23' ' ' ASP . . . . . 0.493 ' O ' ' O ' ' A' ' 18' ' ' SER . 34.0 m-20 -144.45 84.16 1.74 Allowed 'General case' 0 N--CA 1.5 2.05 0 O-C-N 121.004 -1.291 . . . . 0.0 109.498 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 2.9 mmmm -92.54 -41.53 10.19 Favored 'General case' 0 N--CA 1.497 1.899 0 O-C-N 120.798 -1.189 . . . . 0.0 110.708 -179.068 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 41.1 p-80 -111.94 17.07 20.03 Favored 'General case' 0 N--CA 1.503 2.206 0 O-C-N 121.229 -0.919 . . . . 0.0 111.162 -178.26 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 63.0 mttm -140.51 144.94 36.26 Favored 'General case' 0 N--CA 1.498 1.93 0 O-C-N 121.025 -1.047 . . . . 0.0 109.006 178.546 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 2.3 tp -124.89 129.37 50.26 Favored 'General case' 0 N--CA 1.498 1.936 0 N-CA-C 108.272 -1.01 . . . . 0.0 108.272 -179.936 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.409 ' H ' ' HG2' ' A' ' 28' ' ' LYS . 46.4 pttt -110.52 -177.22 3.18 Favored 'General case' 0 N--CA 1.5 2.038 0 CA-C-O 121.82 0.819 . . . . 0.0 111.131 -178.476 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 34.0 mtmt -60.01 -40.04 87.89 Favored 'General case' 0 N--CA 1.496 1.846 0 N-CA-C 112.707 0.632 . . . . 0.0 112.707 -178.115 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 73.1 m -60.06 -42.16 93.89 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 120.7 -1.25 . . . . 0.0 110.525 -177.693 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 -72.58 -39.81 67.09 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.127 -0.983 . . . . 0.0 110.745 179.738 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 53.4 tp -59.97 -41.07 91.17 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.2 -0.938 . . . . 0.0 109.164 -179.134 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 78.8 tttt -61.91 -40.73 96.46 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.678 -0.639 . . . . 0.0 110.958 -179.803 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 34' ' ' GLU . . . . . 0.43 ' OE1' ' NH1' ' A' ' 20' ' ' ARG . 81.5 tt0 -66.11 -39.98 90.36 Favored 'General case' 0 N--CA 1.495 1.787 0 O-C-N 120.884 -1.135 . . . . 0.0 111.233 -178.544 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 16.0 mt -66.72 -39.97 88.22 Favored 'General case' 0 N--CA 1.495 1.822 0 O-C-N 120.909 -1.12 . . . . 0.0 110.839 -179.154 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 89.1 mt -66.27 -39.88 85.39 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.643 0 O-C-N 120.912 -1.118 . . . . 0.0 110.755 -178.764 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 10.0 t-20 -79.05 -19.57 51.03 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.099 -1.001 . . . . 0.0 110.7 -179.351 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -65.94 -59.85 3.42 Favored 'General case' 0 N--CA 1.494 1.745 0 O-C-N 120.994 -1.066 . . . . 0.0 111.538 -178.186 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 1.5 pm0 -149.54 22.57 0.91 Allowed 'General case' 0 N--CA 1.502 2.166 0 O-C-N 120.514 -1.366 . . . . 0.0 111.327 -179.323 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 5.1 mt -127.74 16.26 6.93 Favored 'General case' 0 N--CA 1.505 2.287 0 O-C-N 121.097 -1.002 . . . . 0.0 109.732 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 84.1 p -69.97 -36.15 75.0 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.041 -1.037 . . . . 0.0 110.109 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 16.8 m170 -61.36 -40.06 92.93 Favored 'General case' 0 N--CA 1.495 1.79 0 O-C-N 121.05 -1.031 . . . . 0.0 111.189 -178.885 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 41.8 m-85 -61.62 -47.12 86.87 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 120.847 -1.158 . . . . 0.0 110.426 -178.967 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 92.8 mt -93.86 -71.85 0.64 Allowed 'General case' 0 N--CA 1.495 1.819 0 O-C-N 121.043 -1.036 . . . . 0.0 109.817 -179.743 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 1.4 tm-20 63.74 3.78 1.67 Allowed 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.243 -0.911 . . . . 0.0 109.127 -179.668 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 2.6 tm-20 -94.25 -1.45 53.98 Favored 'General case' 0 N--CA 1.495 1.823 0 O-C-N 121.303 -0.873 . . . . 0.0 109.046 179.865 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 7.7 mm -79.4 129.61 37.32 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.536 0 O-C-N 121.07 -1.019 . . . . 0.0 109.702 -179.544 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 4.7 tmtm? -153.56 -39.57 0.1 Allowed 'General case' 0 N--CA 1.49 1.566 0 N-CA-C 108.543 -0.91 . . . . 0.0 108.543 179.737 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -108.16 144.86 35.01 Favored 'General case' 0 N--CA 1.497 1.922 0 O-C-N 121.477 -0.764 . . . . 0.0 110.02 -179.645 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 96.1 mm-40 -67.96 -28.91 67.86 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 121.397 -0.814 . . . . 0.0 110.091 -179.794 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 41.0 tt0 -60.01 -39.98 87.66 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.169 -0.957 . . . . 0.0 109.72 -179.194 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 53.7 t -59.95 -41.47 86.14 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.652 0 O-C-N 121.242 -0.911 . . . . 0.0 110.118 -179.085 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 53.1 t -60.91 -40.84 86.66 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.722 0 O-C-N 120.852 -1.155 . . . . 0.0 109.542 -179.754 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 79.2 m-20 -62.28 -41.6 98.62 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.318 -0.864 . . . . 0.0 110.27 -179.176 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 76.9 tttt -63.42 -40.08 96.23 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.417 -0.802 . . . . 0.0 110.47 -179.302 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 69.5 t -61.65 -40.76 87.82 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.606 0 O-C-N 121.201 -0.937 . . . . 0.0 110.245 -179.157 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 57' ' ' MET . . . . . 0.458 ' SD ' ' SG ' ' A' ' 68' ' ' CYS . 90.2 mmm -63.2 -40.09 96.49 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.278 -0.889 . . . . 0.0 110.897 -178.987 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 4.5 tm-20 -67.37 -39.96 85.72 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.102 -0.998 . . . . 0.0 110.437 -178.877 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 96.1 m -68.35 -39.95 81.68 Favored 'General case' 0 N--CA 1.495 1.81 0 O-C-N 121.172 -0.955 . . . . 0.0 110.956 -179.504 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 15.8 tp -67.53 -20.22 65.39 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.183 -0.948 . . . . 0.0 109.542 -178.993 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 61' ' ' ASP . . . . . 0.485 ' CG ' ' H ' ' A' ' 66' ' ' GLY . 36.7 t70 -73.99 81.58 1.7 Allowed 'General case' 0 N--CA 1.494 1.732 0 O-C-N 121.165 -0.959 . . . . 0.0 111.39 -178.801 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 85.5 mt-10 -87.69 -23.03 24.31 Favored 'General case' 0 N--CA 1.496 1.861 0 O-C-N 121.167 -0.958 . . . . 0.0 109.056 178.272 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 63' ' ' ASP . . . . . 0.457 ' OD1' ' N ' ' A' ' 63' ' ' ASP . 28.6 p-10 -82.32 -2.84 54.02 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.214 -0.929 . . . . 0.0 110.122 -179.323 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 69.65 31.13 70.51 Favored Glycine 0 N--CA 1.493 2.496 0 N-CA-C 110.196 -1.162 . . . . 0.0 110.196 179.071 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 9.7 t70 -94.44 -36.72 11.77 Favored 'General case' 0 N--CA 1.495 1.803 0 O-C-N 121.125 -1.22 . . . . 0.0 110.18 -179.506 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 66' ' ' GLY . . . . . 0.485 ' H ' ' CG ' ' A' ' 61' ' ' ASP . . . 90.27 -2.74 81.57 Favored Glycine 0 N--CA 1.499 2.888 0 O-C-N 120.972 -1.08 . . . . 0.0 110.916 179.298 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 61.9 mm-40 -134.1 157.72 45.45 Favored 'General case' 0 N--CA 1.5 2.066 0 O-C-N 121.086 -1.244 . . . . 0.0 108.413 179.489 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 68' ' ' CYS . . . . . 0.458 ' SG ' ' SD ' ' A' ' 57' ' ' MET . 55.8 m -92.06 107.38 19.17 Favored 'General case' 0 N--CA 1.496 1.833 0 O-C-N 120.911 -1.118 . . . . 0.0 109.821 -179.53 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 95.2 m-20 -89.32 168.34 12.33 Favored 'General case' 0 N--CA 1.495 1.823 0 O-C-N 121.036 -1.04 . . . . 0.0 109.382 179.657 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 70.3 t80 -59.96 -40.0 87.53 Favored 'General case' 0 C--N 1.301 -1.506 0 O-C-N 121.412 -0.805 . . . . 0.0 109.505 -179.793 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 51.9 tt0 -60.02 -49.69 76.69 Favored 'General case' 0 N--CA 1.494 1.751 0 O-C-N 121.247 -0.908 . . . . 0.0 110.87 -178.906 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -69.98 -26.81 64.26 Favored 'General case' 0 N--CA 1.498 1.946 0 O-C-N 120.811 -1.181 . . . . 0.0 109.026 -179.823 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 47.1 t80 -60.04 -46.9 88.01 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.376 -0.827 . . . . 0.0 109.703 -179.006 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 97.1 mmm -59.99 -39.19 84.9 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.177 -0.952 . . . . 0.0 108.918 179.759 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -59.66 -36.31 76.16 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.416 -0.802 . . . . 0.0 109.685 -179.686 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 84.0 t80 -60.07 -41.63 92.8 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 120.941 -1.1 . . . . 0.0 109.329 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 54.2 t -60.0 -40.98 84.66 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.545 0 O-C-N 121.055 -1.028 . . . . 0.0 108.693 179.29 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 37.5 t -63.63 -46.16 86.94 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.401 -0.812 . . . . 0.0 110.009 -179.902 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 95.7 mtp -60.23 -40.28 89.67 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.118 -0.989 . . . . 0.0 109.756 -179.504 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 54.7 t -69.25 -39.99 79.8 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.472 0 O-C-N 121.258 -0.901 . . . . 0.0 109.173 179.852 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 15.8 m -65.12 -43.94 90.35 Favored 'General case' 0 C--N 1.303 -1.44 0 O-C-N 121.312 -0.867 . . . . 0.0 109.587 -179.562 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 63.4 p -70.48 -39.98 73.9 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.199 -0.938 . . . . 0.0 109.992 -179.932 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -59.98 -47.66 84.9 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.134 -0.979 . . . . 0.0 109.501 -179.709 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 84' ' ' CYS . . . . . 0.444 ' SG ' ' O ' ' A' ' 84' ' ' CYS . 26.3 p -80.79 110.88 16.72 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.272 -0.893 . . . . 0.0 109.439 179.924 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 85' ' ' HIS . . . . . 0.441 ' ND1' ' N ' ' A' ' 85' ' ' HIS . 11.7 p-80 -121.52 28.43 7.72 Favored 'General case' 0 N--CA 1.498 1.928 0 O-C-N 121.645 -0.66 . . . . 0.0 109.364 -179.942 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 86' ' ' GLU . . . . . 0.572 ' O ' ' CD1' ' A' ' 87' ' ' PHE . 86.2 tt0 -70.01 -26.12 63.91 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.36 -0.838 . . . . 0.0 109.962 -179.8 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 87' ' ' PHE . . . . . 0.602 ' O ' ' CD2' ' A' ' 87' ' ' PHE . 28.2 p90 45.26 104.73 0.0 OUTLIER 'General case' 0 N--CA 1.499 2.007 0 CA-C-O 121.979 0.895 . . . . 0.0 110.286 -178.987 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 96.0 m-85 . . . . . 0 N--CA 1.491 1.622 0 O-C-N 120.785 -1.197 . . . . 0.0 108.725 179.908 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 1.5 t . . . . . 0 N--CA 1.489 1.488 0 N-CA-C 109.278 -0.638 . . . . 0.0 109.278 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 95.3 mt-10 -59.95 -31.36 69.8 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.332 -0.855 . . . . 0.0 109.086 179.622 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 67.4 tp -59.91 -48.68 80.71 Favored 'General case' 0 N--CA 1.488 1.445 0 O-C-N 121.386 -0.821 . . . . 0.0 109.108 -179.657 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 85.4 tt0 -60.05 -40.24 88.74 Favored 'General case' 0 C--N 1.302 -1.457 0 O-C-N 121.168 -0.958 . . . . 0.0 109.2 179.514 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 16.8 mtpp -67.28 -36.16 80.98 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.483 -0.76 . . . . 0.0 109.721 -179.936 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -60.0 -43.42 95.2 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.286 -0.884 . . . . 0.0 109.982 -178.813 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 7' ' ' MET . . . . . . . . . . . . . 57.8 mtt -59.97 -43.03 95.33 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 120.822 -1.174 . . . . 0.0 108.897 179.56 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 54.2 t -69.98 -40.05 78.16 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.46 0 O-C-N 121.306 -0.871 . . . . 0.0 109.06 179.457 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.06 -43.87 95.12 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.494 -0.754 . . . . 0.0 110.693 -179.212 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 1.5 mt -60.07 -49.72 76.56 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.0 -1.063 . . . . 0.0 109.505 -179.606 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 96.9 mt -60.45 -45.8 96.25 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.509 0 O-C-N 121.098 -1.001 . . . . 0.0 109.866 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 95.9 m-20 -61.33 -41.13 96.51 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.297 -0.877 . . . . 0.0 110.751 -178.568 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 54.1 t -70.04 -46.44 72.92 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.733 0 O-C-N 120.995 -1.065 . . . . 0.0 110.16 -179.209 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 14' ' ' PHE . . . . . . . . . . . . . 64.7 t80 -59.98 -41.07 91.21 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.256 -0.902 . . . . 0.0 110.165 -179.619 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 52.5 t-80 -60.75 -46.81 89.01 Favored 'General case' 0 C--N 1.301 -1.533 0 O-C-N 121.309 -0.869 . . . . 0.0 110.838 -179.227 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 74.3 mt-30 -60.32 -51.11 70.94 Favored 'General case' 0 N--CA 1.494 1.74 0 O-C-N 120.867 -1.146 . . . . 0.0 111.257 -178.724 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 65.0 m-85 -70.81 -37.57 73.26 Favored 'General case' 0 N--CA 1.494 1.743 0 O-C-N 120.942 -1.099 . . . . 0.0 110.432 -179.797 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 18' ' ' SER . . . . . 0.497 ' O ' ' O ' ' B' ' 23' ' ' ASP . 75.0 m -60.03 -41.43 92.22 Favored 'General case' 0 C--N 1.301 -1.508 0 O-C-N 121.153 -0.967 . . . . 0.0 110.082 -178.772 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -75.23 19.55 2.27 Favored Glycine 0 N--CA 1.494 2.526 0 O-C-N 120.997 -1.064 . . . . 0.0 110.647 -179.404 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 20' ' ' ARG . . . . . 0.444 ' NH1' ' OE1' ' B' ' 34' ' ' GLU . 66.7 ttt180 -59.96 -45.2 93.45 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.074 -1.25 . . . . 0.0 110.268 -179.723 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 21' ' ' GLU . . . . . 0.427 ' O ' ' C ' ' B' ' 22' ' ' GLY . 80.6 tt0 -164.58 114.44 1.17 Allowed 'General case' 0 N--CA 1.494 1.761 0 O-C-N 120.631 -1.293 . . . . 0.0 111.379 -179.628 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 22' ' ' GLY . . . . . 0.427 ' C ' ' O ' ' B' ' 21' ' ' GLU . . . 32.85 40.98 0.1 OUTLIER Glycine 0 N--CA 1.501 3.016 0 N-CA-C 111.886 -0.485 . . . . 0.0 111.886 178.247 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 23' ' ' ASP . . . . . 0.497 ' O ' ' O ' ' B' ' 18' ' ' SER . 35.4 m-20 -144.07 85.38 1.8 Allowed 'General case' 0 N--CA 1.499 1.993 0 O-C-N 120.892 -1.357 . . . . 0.0 109.265 179.875 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 4.2 mmmm -93.15 -41.58 9.85 Favored 'General case' 0 N--CA 1.495 1.801 0 O-C-N 120.864 -1.147 . . . . 0.0 110.462 -179.02 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 25' ' ' HIS . . . . . . . . . . . . . 42.9 p-80 -111.69 16.34 20.6 Favored 'General case' 0 N--CA 1.502 2.148 0 O-C-N 121.342 -0.849 . . . . 0.0 111.399 -178.062 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 61.1 mttm -139.98 144.89 37.23 Favored 'General case' 0 N--CA 1.498 1.951 0 O-C-N 121.164 -0.96 . . . . 0.0 109.038 178.521 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 2.0 tp -124.51 129.62 50.95 Favored 'General case' 0 N--CA 1.498 1.963 0 N-CA-C 108.216 -1.031 . . . . 0.0 108.216 179.898 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 43.8 pttt -110.4 -177.37 3.22 Favored 'General case' 0 N--CA 1.501 2.124 0 CA-C-O 121.97 0.891 . . . . 0.0 111.065 -178.747 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 37.3 mtmt -59.95 -40.07 87.73 Favored 'General case' 0 N--CA 1.496 1.873 0 N-CA-C 112.695 0.628 . . . . 0.0 112.695 -178.173 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 70.3 m -60.02 -41.53 92.4 Favored 'General case' 0 N--CA 1.496 1.83 0 O-C-N 120.662 -1.274 . . . . 0.0 110.558 -177.686 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 40.9 mt-10 -72.93 -39.99 65.81 Favored 'General case' 0 C--N 1.299 -1.611 0 O-C-N 121.094 -1.003 . . . . 0.0 110.68 179.925 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 54.2 tp -60.06 -40.74 90.5 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.264 -0.897 . . . . 0.0 109.211 -179.279 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 77.7 tttt -62.14 -40.96 97.7 Favored 'General case' 0 C--N 1.298 -1.654 0 O-C-N 121.569 -0.707 . . . . 0.0 110.844 -179.61 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 34' ' ' GLU . . . . . 0.444 ' OE1' ' NH1' ' B' ' 20' ' ' ARG . 80.9 tt0 -65.85 -40.01 91.3 Favored 'General case' 0 N--CA 1.496 1.863 0 O-C-N 121.089 -1.007 . . . . 0.0 111.285 -178.474 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 16.7 mt -66.73 -40.01 88.21 Favored 'General case' 0 N--CA 1.496 1.868 0 O-C-N 120.899 -1.126 . . . . 0.0 110.749 -179.126 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 91.7 mt -66.14 -39.94 85.73 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.679 0 O-C-N 120.885 -1.134 . . . . 0.0 110.757 -178.762 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 9.9 t-20 -79.07 -19.6 50.91 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.037 -1.039 . . . . 0.0 110.695 -179.284 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -65.91 -60.01 3.28 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 120.983 -1.073 . . . . 0.0 111.56 -178.207 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 1.5 pm0 -149.26 22.65 0.94 Allowed 'General case' 0 N--CA 1.502 2.15 0 O-C-N 120.51 -1.369 . . . . 0.0 111.297 -179.416 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 5.1 mt -127.77 16.3 6.91 Favored 'General case' 0 N--CA 1.506 2.343 0 O-C-N 121.032 -1.042 . . . . 0.0 109.676 -179.929 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 80.5 p -70.03 -36.13 74.82 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 120.961 -1.087 . . . . 0.0 110.175 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 42' ' ' HIS . . . . . . . . . . . . . 16.8 m170 -61.27 -40.2 93.23 Favored 'General case' 0 N--CA 1.497 1.882 0 O-C-N 121.113 -0.992 . . . . 0.0 111.144 -178.899 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 42.1 m-85 -61.64 -47.18 86.54 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 120.832 -1.168 . . . . 0.0 110.416 -178.887 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 90.1 mt -93.66 -72.02 0.63 Allowed 'General case' 0 N--CA 1.495 1.819 0 O-C-N 121.005 -1.059 . . . . 0.0 109.803 -179.887 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 1.4 tm-20 63.93 3.83 1.78 Allowed 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.278 -0.889 . . . . 0.0 109.12 -179.653 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 2.6 tm-20 -94.38 -1.37 53.84 Favored 'General case' 0 N--CA 1.496 1.835 0 O-C-N 121.349 -0.845 . . . . 0.0 109.07 179.907 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 7.1 mm -79.49 129.6 37.32 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.572 0 O-C-N 121.14 -0.975 . . . . 0.0 109.686 -179.507 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 4.5 tmtm? -153.57 -39.41 0.1 Allowed 'General case' 0 N--CA 1.49 1.551 0 N-CA-C 108.64 -0.874 . . . . 0.0 108.64 179.686 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -108.28 144.91 35.13 Favored 'General case' 0 N--CA 1.499 1.987 0 O-C-N 121.499 -0.75 . . . . 0.0 109.961 -179.735 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 26.6 mm100 -67.99 -28.93 67.85 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.438 -0.789 . . . . 0.0 109.92 -179.73 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 41.3 tt0 -59.97 -39.98 87.53 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.19 -0.944 . . . . 0.0 109.756 -179.202 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 54.3 t -59.89 -41.61 86.46 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.613 0 O-C-N 121.234 -0.916 . . . . 0.0 110.178 -179.072 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 53.8 t -60.8 -40.88 86.52 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.728 0 O-C-N 120.901 -1.124 . . . . 0.0 109.589 -179.686 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 80.0 m-20 -62.24 -41.33 98.33 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.248 -0.908 . . . . 0.0 110.3 -179.159 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 74.4 tttt -63.66 -40.07 95.91 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.398 -0.814 . . . . 0.0 110.311 -179.24 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 76.6 t -61.64 -41.06 88.88 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.524 0 O-C-N 121.216 -0.928 . . . . 0.0 110.212 -179.042 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 57' ' ' MET . . . . . 0.481 ' SD ' ' SG ' ' B' ' 68' ' ' CYS . 88.1 mmm -62.89 -40.01 96.22 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.277 -0.889 . . . . 0.0 110.972 -179.063 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 4.5 tm-20 -67.64 -39.99 84.62 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.146 -0.971 . . . . 0.0 110.413 -178.747 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 98.9 m -68.06 -40.01 82.86 Favored 'General case' 0 N--CA 1.495 1.811 0 O-C-N 121.137 -0.977 . . . . 0.0 110.943 -179.733 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 15.3 tp -67.89 -19.78 65.04 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.184 -0.948 . . . . 0.0 109.572 -178.838 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 61' ' ' ASP . . . . . 0.476 ' CG ' ' H ' ' B' ' 66' ' ' GLY . 36.4 t70 -74.29 81.61 1.86 Allowed 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.217 -0.927 . . . . 0.0 111.341 -178.853 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 86.8 mt-10 -87.81 -23.2 24.11 Favored 'General case' 0 N--CA 1.497 1.891 0 O-C-N 121.111 -0.993 . . . . 0.0 109.002 178.323 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 63' ' ' ASP . . . . . 0.438 ' N ' ' OD1' ' B' ' 63' ' ' ASP . 29.1 p-10 -82.08 -2.24 51.22 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.278 -0.889 . . . . 0.0 110.187 -179.526 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 68.68 31.83 73.77 Favored Glycine 0 N--CA 1.494 2.559 0 C-N-CA 119.943 -1.123 . . . . 0.0 110.32 179.205 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 9.6 t70 -94.78 -36.68 11.59 Favored 'General case' 0 N--CA 1.497 1.876 0 O-C-N 121.151 -1.205 . . . . 0.0 110.04 -179.583 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 66' ' ' GLY . . . . . 0.476 ' H ' ' CG ' ' B' ' 61' ' ' ASP . . . 90.24 -2.27 80.96 Favored Glycine 0 N--CA 1.499 2.882 0 O-C-N 120.989 -1.07 . . . . 0.0 110.81 179.244 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 60.8 mm-40 -134.58 157.64 46.06 Favored 'General case' 0 N--CA 1.501 2.075 0 O-C-N 121.235 -1.156 . . . . 0.0 108.317 179.438 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 68' ' ' CYS . . . . . 0.481 ' SG ' ' SD ' ' B' ' 57' ' ' MET . 59.3 m -92.19 107.9 19.55 Favored 'General case' 0 N--CA 1.495 1.801 0 O-C-N 120.889 -1.132 . . . . 0.0 109.705 -179.487 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 94.5 m-20 -89.67 168.32 12.21 Favored 'General case' 0 N--CA 1.494 1.772 0 O-C-N 121.025 -1.047 . . . . 0.0 109.241 179.695 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 69.1 t80 -60.0 -39.92 87.44 Favored 'General case' 0 C--N 1.3 -1.547 0 O-C-N 121.363 -0.836 . . . . 0.0 109.6 -179.912 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 51.5 tt0 -60.04 -49.66 76.78 Favored 'General case' 0 N--CA 1.494 1.754 0 O-C-N 121.271 -0.893 . . . . 0.0 110.807 -178.855 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -70.05 -26.88 64.23 Favored 'General case' 0 N--CA 1.499 1.987 0 O-C-N 120.833 -1.167 . . . . 0.0 108.87 -179.787 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 73' ' ' PHE . . . . . . . . . . . . . 47.8 t80 -59.98 -46.75 88.43 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.474 -0.766 . . . . 0.0 109.84 -178.871 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 74' ' ' MET . . . . . . . . . . . . . 96.8 mmm -60.01 -39.28 85.25 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.113 -0.992 . . . . 0.0 109.03 179.619 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -59.78 -36.1 76.01 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.321 -0.862 . . . . 0.0 109.672 -179.642 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 84.8 t80 -59.97 -41.78 92.71 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 120.932 -1.105 . . . . 0.0 109.217 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 77' ' ' VAL . . . . . . . . . . . . . 54.6 t -60.04 -40.97 84.7 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.418 0 O-C-N 121.036 -1.04 . . . . 0.0 108.674 179.225 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 78' ' ' SER . . . . . . . . . . . . . 36.9 t -63.61 -46.01 87.71 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.38 -0.825 . . . . 0.0 110.043 -179.853 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 79' ' ' MET . . . . . . . . . . . . . 95.9 mtp -60.29 -40.1 89.28 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.018 -1.051 . . . . 0.0 109.814 -179.585 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 54.5 t -69.46 -40.1 79.43 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.547 0 O-C-N 121.231 -0.918 . . . . 0.0 109.265 179.764 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 15.5 m -64.86 -44.12 90.77 Favored 'General case' 0 C--N 1.302 -1.475 0 O-C-N 121.341 -0.849 . . . . 0.0 109.608 -179.662 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 62.7 p -70.36 -39.98 74.29 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.076 -1.015 . . . . 0.0 110.051 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -60.04 -47.52 85.5 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.17 -0.956 . . . . 0.0 109.534 -179.701 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 84' ' ' CYS . . . . . 0.432 ' SG ' ' O ' ' B' ' 84' ' ' CYS . 26.4 p -80.78 110.87 16.7 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.293 -0.879 . . . . 0.0 109.457 179.835 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 85' ' ' HIS . . . . . 0.441 ' ND1' ' N ' ' B' ' 85' ' ' HIS . 11.7 p-80 -121.5 28.35 7.77 Favored 'General case' 0 N--CA 1.499 1.977 0 O-C-N 121.634 -0.666 . . . . 0.0 109.354 -179.865 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 86' ' ' GLU . . . . . 0.572 ' O ' ' CD1' ' B' ' 87' ' ' PHE . 86.4 tt0 -70.05 -26.24 63.93 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.418 -0.801 . . . . 0.0 109.949 -179.777 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 87' ' ' PHE . . . . . 0.589 ' O ' ' CD2' ' B' ' 87' ' ' PHE . 28.4 p90 45.36 104.59 0.0 OUTLIER 'General case' 0 N--CA 1.499 1.98 0 CA-C-O 122.014 0.912 . . . . 0.0 110.325 -178.95 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 96.0 m-85 . . . . . 0 N--CA 1.491 1.589 0 O-C-N 120.796 -1.19 . . . . 0.0 108.711 179.854 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 33.0 p . . . . . 0 N--CA 1.489 1.484 0 CA-C-O 121.349 0.595 . . . . 0.0 109.977 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 48.1 mt-10 -60.01 -27.8 67.19 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.273 -0.892 . . . . 0.0 110.628 -179.359 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 3' ' ' LEU . . . . . 0.509 ' O ' ' SD ' ' A' ' 7' ' ' MET . 1.1 mp -54.29 -50.84 66.36 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 120.779 -1.2 . . . . 0.0 108.957 -179.589 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 4' ' ' GLU . . . . . 0.406 ' OE2' HD23 ' B' ' 40' ' ' LEU . 61.6 mm-40 -60.32 -41.08 92.75 Favored 'General case' 0 N--CA 1.494 1.767 0 O-C-N 121.041 -1.037 . . . . 0.0 110.202 179.901 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 28.5 tptt -60.21 -40.03 88.68 Favored 'General case' 0 N--CA 1.488 1.463 0 O-C-N 121.231 -0.918 . . . . 0.0 109.39 -179.109 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -62.45 -50.1 72.8 Favored 'General case' 0 N--CA 1.495 1.79 0 O-C-N 121.293 -0.879 . . . . 0.0 110.869 -179.567 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 7' ' ' MET . . . . . 0.509 ' SD ' ' O ' ' A' ' 3' ' ' LEU . 3.6 mpp? -60.42 -40.24 90.34 Favored 'General case' 0 N--CA 1.495 1.806 0 O-C-N 120.74 -1.225 . . . . 0.0 109.828 -179.427 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 54.6 t -60.64 -40.14 83.72 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.487 0 O-C-N 121.223 -0.923 . . . . 0.0 109.739 -179.406 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 9' ' ' ALA . . . . . 0.484 ' O ' HG23 ' A' ' 13' ' ' VAL . . . -66.62 -40.16 88.66 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.139 -0.976 . . . . 0.0 110.304 -179.345 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 39.2 mt -65.22 -41.35 94.52 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.065 -1.022 . . . . 0.0 110.512 -179.445 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 96.9 mt -69.63 -47.27 72.22 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.661 0 O-C-N 121.004 -1.06 . . . . 0.0 110.222 -179.539 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 9.3 t0 -61.62 -40.24 94.15 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.177 -0.952 . . . . 0.0 110.612 -179.23 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.484 HG23 ' O ' ' A' ' 9' ' ' ALA . 78.1 t -66.9 -41.11 87.15 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.683 0 O-C-N 121.039 -1.038 . . . . 0.0 110.64 -178.893 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 60.0 t80 -59.87 -46.89 87.85 Favored 'General case' 0 N--CA 1.494 1.745 0 O-C-N 120.781 -1.199 . . . . 0.0 110.172 -179.001 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 85.3 t60 -59.97 -41.27 91.59 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.297 -0.877 . . . . 0.0 111.634 -179.127 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 96.0 mt-30 -61.25 -50.58 72.48 Favored 'General case' 0 N--CA 1.494 1.766 0 O-C-N 120.85 -1.156 . . . . 0.0 111.133 -177.982 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 55.9 m-85 -70.1 -38.92 75.76 Favored 'General case' 0 N--CA 1.495 1.792 0 O-C-N 121.036 -1.04 . . . . 0.0 110.539 -179.703 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 77.2 p -60.02 -42.09 93.58 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 120.929 -1.107 . . . . 0.0 109.527 -179.152 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -74.04 -41.55 39.69 Favored Glycine 0 N--CA 1.49 2.238 0 N-CA-C 109.969 -1.252 . . . . 0.0 109.969 -179.872 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 2.8 tpm_? -60.09 -43.89 95.19 Favored 'General case' 0 N--CA 1.494 1.751 0 O-C-N 121.154 -1.203 . . . . 0.0 109.953 -179.263 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.455 ' CD ' ' N ' ' A' ' 22' ' ' GLY . 14.9 tm-20 -168.74 147.36 4.11 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.023 -1.048 . . . . 0.0 109.786 -179.501 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 22' ' ' GLY . . . . . 0.455 ' N ' ' CD ' ' A' ' 21' ' ' GLU . . . 99.93 69.91 0.91 Allowed Glycine 0 N--CA 1.496 2.641 0 N-CA-C 109.434 -1.466 . . . . 0.0 109.434 179.739 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 23' ' ' ASP . . . . . 0.42 ' O ' ' O ' ' A' ' 22' ' ' GLY . 82.0 m-20 51.38 177.36 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.455 -1.026 . . . . 0.0 110.102 179.646 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 9.2 mtmp? -95.03 -32.25 13.22 Favored 'General case' 0 N--CA 1.495 1.788 0 O-C-N 121.304 -0.873 . . . . 0.0 110.503 -179.427 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' HIS . . . . . 0.466 ' N ' ' ND1' ' A' ' 25' ' ' HIS . 13.8 p-80 -134.37 20.97 3.68 Favored 'General case' 0 N--CA 1.499 1.984 0 O-C-N 121.225 -0.922 . . . . 0.0 110.703 -178.612 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 25.5 mtpp -134.26 151.49 51.31 Favored 'General case' 0 N--CA 1.501 2.108 0 O-C-N 121.194 -0.941 . . . . 0.0 109.063 179.794 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 11.8 tp -99.55 128.63 45.67 Favored 'General case' 0 N--CA 1.498 1.966 0 O-C-N 121.292 -0.88 . . . . 0.0 109.45 -179.287 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 30.1 mmtm -106.6 173.58 6.26 Favored 'General case' 0 N--CA 1.497 1.89 0 O-C-N 121.563 -0.71 . . . . 0.0 109.737 179.906 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 65.0 mttm -60.0 -38.88 83.9 Favored 'General case' 0 N--CA 1.494 1.737 0 O-C-N 121.652 -0.655 . . . . 0.0 110.435 -179.156 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 67.9 m -60.1 -39.97 88.03 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.319 -0.863 . . . . 0.0 110.359 -177.827 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 -67.7 -40.01 84.35 Favored 'General case' 0 N--CA 1.488 1.428 0 O-C-N 120.858 -1.151 . . . . 0.0 109.466 -179.88 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 41.6 tp -61.9 -48.98 78.05 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.269 -0.894 . . . . 0.0 109.37 179.626 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 14.3 ttmm -59.96 -44.52 94.38 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.415 -0.803 . . . . 0.0 109.99 -179.095 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 34' ' ' GLU . . . . . 0.463 ' O ' ' ND2' ' A' ' 38' ' ' ASN . 67.9 mm-40 -69.67 -39.74 76.84 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.152 -0.968 . . . . 0.0 109.643 179.925 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 64.3 tp -60.02 -47.45 85.8 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.099 -1.001 . . . . 0.0 109.573 -178.809 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 91.6 mt -63.54 -39.99 87.37 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.759 0 O-C-N 120.947 -1.096 . . . . 0.0 109.637 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 37' ' ' ASN . . . . . 0.439 ' O ' ' O ' ' A' ' 38' ' ' ASN . 14.7 t-20 -65.31 -32.64 74.4 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.365 -0.834 . . . . 0.0 110.578 -179.505 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 38' ' ' ASN . . . . . 0.463 ' ND2' ' O ' ' A' ' 34' ' ' GLU . 4.1 m120 -41.34 -95.89 0.0 OUTLIER 'General case' 0 N--CA 1.498 1.957 0 O-C-N 121.39 -0.819 . . . . 0.0 111.012 -178.565 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 39' ' ' GLU . . . . . 0.407 ' OE1' ' CG ' ' B' ' 4' ' ' GLU . 44.8 tt0 -110.27 -25.91 9.88 Favored 'General case' 0 N--CA 1.501 2.107 0 O-C-N 121.242 -0.911 . . . . 0.0 110.136 -179.24 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 82.6 mt -62.33 121.54 13.43 Favored 'General case' 0 C--N 1.302 -1.466 0 O-C-N 120.842 -1.161 . . . . 0.0 109.183 -178.897 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 41' ' ' SER . . . . . 0.447 ' O ' ' O ' ' A' ' 44' ' ' LEU . 80.7 p -163.18 -44.87 0.03 OUTLIER 'General case' 0 N--CA 1.488 1.437 0 O-C-N 121.591 -0.693 . . . . 0.0 109.2 -179.85 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 55.7 t-80 -60.03 -45.48 92.68 Favored 'General case' 0 N--CA 1.488 1.436 0 O-C-N 121.002 -1.061 . . . . 0.0 109.289 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 42.9 m-85 -64.68 -43.64 92.91 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.403 -0.811 . . . . 0.0 109.966 -179.831 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.447 ' O ' ' O ' ' A' ' 41' ' ' SER . 28.2 mt -131.93 141.97 49.5 Favored 'General case' 0 N--CA 1.5 2.029 0 O-C-N 121.499 -0.751 . . . . 0.0 109.042 -179.819 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -59.95 161.08 6.99 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.181 -0.95 . . . . 0.0 109.06 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -63.28 167.47 5.2 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.178 -0.951 . . . . 0.0 109.297 -179.901 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 44.1 mm -77.78 112.04 15.29 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.499 0 O-C-N 121.179 -0.951 . . . . 0.0 110.177 -178.64 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 21.3 ttpp -91.2 -76.25 0.45 Allowed 'General case' 0 N--CA 1.492 1.67 0 N-CA-C 108.921 -0.77 . . . . 0.0 108.921 179.488 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 42.5 mt-10 -101.53 148.53 25.09 Favored 'General case' 0 N--CA 1.499 2.001 0 O-C-N 121.299 -0.876 . . . . 0.0 109.667 179.691 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 37.4 tt0 -60.18 -27.85 67.47 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.356 -0.84 . . . . 0.0 109.305 179.79 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 66.0 mm-40 -54.53 -40.07 68.26 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.393 -0.817 . . . . 0.0 109.462 -179.137 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 53.0 t -59.99 -45.56 95.21 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.408 0 O-C-N 121.156 -0.965 . . . . 0.0 108.906 -179.928 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 76.3 t -61.65 -45.13 99.31 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.548 0 O-C-N 121.446 -0.784 . . . . 0.0 109.366 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 96.2 m-20 -60.61 -40.04 90.42 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.1 -1.0 . . . . 0.0 110.002 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 35.7 ttpt -65.57 -40.04 92.33 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.161 -0.962 . . . . 0.0 109.907 -179.566 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 62.0 t -67.39 -48.37 77.78 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.634 0 O-C-N 121.233 -0.917 . . . . 0.0 109.822 -179.3 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 99.7 mtp -68.68 -39.97 80.31 Favored 'General case' 0 N--CA 1.494 1.741 0 O-C-N 121.267 -0.896 . . . . 0.0 110.361 -179.135 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 54.5 tp10 -64.58 -39.95 94.66 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.345 -0.847 . . . . 0.0 110.89 -178.814 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 92.5 m -68.51 -49.98 55.6 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 120.984 -1.073 . . . . 0.0 111.08 -178.418 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 27.4 tp -78.86 -59.17 2.89 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.121 -0.987 . . . . 0.0 110.839 -178.325 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 61' ' ' ASP . . . . . 0.437 ' OD1' ' N ' ' A' ' 64' ' ' GLY . 16.0 t0 -81.47 89.66 6.17 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 121.217 -0.927 . . . . 0.0 110.677 -177.451 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 43.0 tt0 -69.75 -40.05 76.38 Favored 'General case' 0 C--N 1.302 -1.459 0 O-C-N 121.346 -0.847 . . . . 0.0 109.02 179.091 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 28.2 p-10 -98.39 16.46 21.58 Favored 'General case' 0 N--CA 1.494 1.764 0 O-C-N 121.337 -0.852 . . . . 0.0 109.96 -179.273 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 64' ' ' GLY . . . . . 0.446 ' O ' ' OD1' ' A' ' 65' ' ' ASP . . . -48.08 -27.94 5.55 Favored Glycine 0 N--CA 1.493 2.464 0 N-CA-C 110.01 -1.236 . . . . 0.0 110.01 -179.265 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 65' ' ' ASP . . . . . 0.446 ' OD1' ' O ' ' A' ' 64' ' ' GLY . 2.3 p-10 45.5 26.92 0.34 Allowed 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.352 -1.087 . . . . 0.0 109.971 179.773 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 83.05 -1.31 88.91 Favored Glycine 0 N--CA 1.492 2.425 0 N-CA-C 110.227 -1.149 . . . . 0.0 110.227 179.429 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 67' ' ' GLU . . . . . 0.406 ' OE2' ' C ' ' A' ' 68' ' ' CYS . 4.0 tm-20 -140.06 137.37 34.5 Favored 'General case' 0 N--CA 1.497 1.909 0 O-C-N 121.15 -1.206 . . . . 0.0 109.194 179.842 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 68' ' ' CYS . . . . . 0.406 ' C ' ' OE2' ' A' ' 67' ' ' GLU . 8.6 m -109.93 133.99 52.57 Favored 'General case' 0 N--CA 1.499 2.011 0 O-C-N 121.504 -0.748 . . . . 0.0 109.984 -179.123 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 84.4 m-20 -89.37 170.55 10.46 Favored 'General case' 0 N--CA 1.495 1.776 0 O-C-N 121.412 -0.805 . . . . 0.0 110.155 -179.864 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 9.1 t80 -57.81 -45.33 86.25 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.455 -0.778 . . . . 0.0 109.048 -179.417 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 30.4 tt0 -60.53 -41.07 93.67 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 121.127 -0.983 . . . . 0.0 108.911 179.467 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 72' ' ' GLU . . . . . 0.401 ' OE1' ' OD1' ' A' ' 61' ' ' ASP . 43.8 mt-10 -64.41 -40.05 95.03 Favored 'General case' 0 N--CA 1.49 1.546 0 N-CA-C 108.768 -0.827 . . . . 0.0 108.768 179.632 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 36.1 t80 -60.32 -40.02 89.11 Favored 'General case' 0 N--CA 1.488 1.473 0 N-CA-C 109.079 -0.712 . . . . 0.0 109.079 179.033 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 10.7 tpt -60.03 -39.92 87.54 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 121.268 -0.895 . . . . 0.0 109.283 -179.399 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -60.08 -38.18 82.12 Favored 'General case' 0 N--CA 1.495 1.804 0 O-C-N 121.353 -0.842 . . . . 0.0 110.38 179.853 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 63.6 t80 -60.03 -39.1 84.7 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.168 -0.958 . . . . 0.0 109.221 -178.943 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 54.4 t -60.03 -40.04 82.05 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.527 0 O-C-N 121.304 -0.873 . . . . 0.0 109.227 -179.866 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 86.3 p -59.93 -39.93 87.19 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.083 -1.011 . . . . 0.0 110.507 -179.081 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 48.6 ttm -60.06 -42.14 93.85 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 120.897 -1.127 . . . . 0.0 109.735 -179.912 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 54.4 t -60.6 -42.37 91.41 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.494 0 O-C-N 121.221 -0.924 . . . . 0.0 109.695 -179.489 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 94.6 m -62.97 -49.14 75.88 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.149 -0.969 . . . . 0.0 109.899 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 75.3 p -72.55 -39.38 67.51 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.167 -0.958 . . . . 0.0 109.882 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 83' ' ' ALA . . . . . 0.584 ' O ' ' N ' ' A' ' 85' ' ' HIS . . . -53.21 -19.94 3.55 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.318 -0.864 . . . . 0.0 110.211 -179.151 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 51.7 t -51.09 85.76 0.0 OUTLIER 'General case' 0 N--CA 1.494 1.752 0 O-C-N 121.34 -0.85 . . . . 0.0 109.722 -179.611 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 85' ' ' HIS . . . . . 0.584 ' N ' ' O ' ' A' ' 83' ' ' ALA . 85.5 t60 -69.01 -40.37 78.72 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.446 -0.784 . . . . 0.0 110.044 -179.559 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -89.75 125.73 35.4 Favored 'General case' 0 N--CA 1.496 1.829 0 O-C-N 121.332 -0.855 . . . . 0.0 110.367 -179.159 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -94.86 154.63 17.15 Favored 'General case' 0 N--CA 1.497 1.892 0 O-C-N 121.238 -0.914 . . . . 0.0 109.166 179.306 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 83.9 m-85 . . . . . 0 N--CA 1.489 1.48 0 O-C-N 121.476 -0.765 . . . . 0.0 109.014 -179.85 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 33.3 p . . . . . 0 N--CA 1.491 1.576 0 CA-C-O 121.366 0.603 . . . . 0.0 109.917 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 48.8 mt-10 -60.02 -28.37 67.67 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.288 -0.882 . . . . 0.0 110.635 -179.558 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 3' ' ' LEU . . . . . 0.502 ' O ' ' SD ' ' B' ' 7' ' ' MET . 1.4 mp -54.21 -50.6 66.73 Favored 'General case' 0 N--CA 1.494 1.752 0 O-C-N 120.648 -1.283 . . . . 0.0 108.924 -179.659 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 4' ' ' GLU . . . . . 0.407 ' CG ' ' OE1' ' A' ' 39' ' ' GLU . 61.8 mm-40 -60.03 -41.2 91.72 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 120.989 -1.069 . . . . 0.0 110.217 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 28.2 tptt -60.34 -39.95 88.93 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.241 -0.912 . . . . 0.0 109.406 -179.115 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -62.48 -50.13 72.63 Favored 'General case' 0 N--CA 1.494 1.736 0 O-C-N 121.396 -0.815 . . . . 0.0 110.794 -179.349 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 7' ' ' MET . . . . . 0.502 ' SD ' ' O ' ' B' ' 3' ' ' LEU . 3.5 mpp? -60.27 -40.29 89.86 Favored 'General case' 0 N--CA 1.496 1.844 0 O-C-N 120.858 -1.151 . . . . 0.0 109.821 -179.515 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 58.0 t -61.0 -40.05 84.27 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.464 0 O-C-N 121.224 -0.922 . . . . 0.0 109.8 -179.398 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 9' ' ' ALA . . . . . 0.429 ' O ' HG23 ' B' ' 13' ' ' VAL . . . -66.36 -40.91 90.07 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.193 -0.942 . . . . 0.0 110.292 -179.564 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 49.0 mt -64.27 -42.05 96.62 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 121.113 -0.992 . . . . 0.0 110.498 -179.407 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 96.8 mt -69.34 -47.45 73.17 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.676 0 O-C-N 121.019 -1.05 . . . . 0.0 110.319 -179.367 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 9.3 t0 -61.53 -40.07 93.31 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.131 -0.98 . . . . 0.0 110.596 -179.214 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 13' ' ' VAL . . . . . 0.429 HG23 ' O ' ' B' ' 9' ' ' ALA . 53.9 t -67.04 -40.91 86.52 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.678 0 O-C-N 121.028 -1.045 . . . . 0.0 110.572 -178.906 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 14' ' ' PHE . . . . . . . . . . . . . 58.7 t80 -60.08 -46.76 88.5 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 120.746 -1.221 . . . . 0.0 110.14 -178.956 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 86.1 t60 -59.96 -41.54 92.17 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.348 -0.845 . . . . 0.0 111.718 -179.074 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 97.6 mt-30 -61.09 -50.5 73.03 Favored 'General case' 0 N--CA 1.495 1.79 0 O-C-N 120.775 -1.203 . . . . 0.0 111.148 -178.155 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 53.5 m-85 -70.09 -39.16 75.74 Favored 'General case' 0 N--CA 1.495 1.778 0 O-C-N 120.984 -1.072 . . . . 0.0 110.571 -179.609 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 60.2 p -60.04 -41.17 91.71 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.032 -1.043 . . . . 0.0 109.722 -179.143 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -75.4 -40.87 31.99 Favored Glycine 0 N--CA 1.488 2.133 0 N-CA-C 109.994 -1.242 . . . . 0.0 109.994 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 2.7 tpm_? -59.97 -43.64 94.95 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.109 -1.23 . . . . 0.0 109.798 -179.493 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 21' ' ' GLU . . . . . 0.457 ' CD ' ' N ' ' B' ' 22' ' ' GLY . 15.2 tm-20 -169.19 147.69 3.83 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.072 -1.017 . . . . 0.0 109.774 -179.689 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 22' ' ' GLY . . . . . 0.457 ' N ' ' CD ' ' B' ' 21' ' ' GLU . . . 99.88 69.79 0.91 Allowed Glycine 0 N--CA 1.494 2.554 0 N-CA-C 109.497 -1.441 . . . . 0.0 109.497 179.778 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 23' ' ' ASP . . . . . 0.488 ' OD2' ' NZ ' ' B' ' 28' ' ' LYS . 81.3 m-20 51.15 177.95 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.39 -1.065 . . . . 0.0 109.915 179.864 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 9.2 mtmp? -95.75 -31.62 13.12 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 121.449 -0.782 . . . . 0.0 110.484 -179.309 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 25' ' ' HIS . . . . . 0.479 ' ND1' ' N ' ' B' ' 25' ' ' HIS . 12.4 p-80 -134.59 20.75 3.6 Favored 'General case' 0 N--CA 1.499 1.983 0 O-C-N 121.282 -0.886 . . . . 0.0 110.662 -178.739 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 25.1 mtpp -134.16 151.83 51.54 Favored 'General case' 0 N--CA 1.5 2.073 0 O-C-N 121.197 -0.939 . . . . 0.0 108.919 179.871 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 11.9 tp -99.84 128.34 45.94 Favored 'General case' 0 N--CA 1.498 1.953 0 O-C-N 121.154 -0.966 . . . . 0.0 109.373 -179.186 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 28' ' ' LYS . . . . . 0.488 ' NZ ' ' OD2' ' B' ' 23' ' ' ASP . 30.3 mmtm -106.24 173.91 6.11 Favored 'General case' 0 N--CA 1.498 1.954 0 O-C-N 121.427 -0.795 . . . . 0.0 109.635 179.897 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 65.7 mttm -60.05 -39.08 84.73 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.508 -0.745 . . . . 0.0 110.45 -179.193 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 55.3 m -60.04 -39.96 87.71 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.27 -0.894 . . . . 0.0 110.394 -177.812 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -67.33 -40.69 85.94 Favored 'General case' 0 C--N 1.302 -1.475 0 O-C-N 120.817 -1.177 . . . . 0.0 109.563 179.852 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 35.8 tp -61.26 -49.34 77.48 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.265 -0.897 . . . . 0.0 109.28 179.836 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 13.8 ttmm -59.96 -43.85 94.79 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.358 -0.839 . . . . 0.0 110.087 -178.953 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 34' ' ' GLU . . . . . 0.467 ' O ' ' ND2' ' B' ' 38' ' ' ASN . 68.1 mm-40 -70.01 -39.85 75.58 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.222 -0.923 . . . . 0.0 109.674 179.767 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 61.7 tp -60.02 -46.55 89.14 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.254 -0.904 . . . . 0.0 109.925 -179.12 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 96.2 mt -64.4 -40.01 87.58 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.624 0 O-C-N 121.024 -1.047 . . . . 0.0 109.548 179.892 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 37' ' ' ASN . . . . . 0.428 ' O ' ' O ' ' B' ' 38' ' ' ASN . 14.9 t-20 -65.27 -32.32 73.92 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.311 -0.868 . . . . 0.0 110.598 -179.586 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 38' ' ' ASN . . . . . 0.467 ' ND2' ' O ' ' B' ' 34' ' ' GLU . 4.1 m120 -41.6 -95.28 0.0 OUTLIER 'General case' 0 N--CA 1.497 1.877 0 O-C-N 121.255 -0.903 . . . . 0.0 111.078 -178.589 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 45.6 tt0 -111.06 -26.43 9.24 Favored 'General case' 0 N--CA 1.502 2.146 0 O-C-N 121.193 -0.942 . . . . 0.0 109.994 -179.375 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 40' ' ' LEU . . . . . 0.406 HD23 ' OE2' ' A' ' 4' ' ' GLU . 77.4 mt -61.31 121.98 13.96 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 120.889 -1.132 . . . . 0.0 108.859 -179.201 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 41' ' ' SER . . . . . 0.464 ' O ' ' O ' ' B' ' 44' ' ' LEU . 53.1 p -164.56 -44.87 0.03 OUTLIER 'General case' 0 C--N 1.304 -1.408 0 O-C-N 121.526 -0.733 . . . . 0.0 109.226 -179.567 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 42' ' ' HIS . . . . . . . . . . . . . 55.0 t-80 -60.1 -45.45 92.9 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 120.925 -1.11 . . . . 0.0 109.193 179.778 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 44.0 m-85 -64.68 -43.41 93.63 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.326 -0.859 . . . . 0.0 109.993 -179.862 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 44' ' ' LEU . . . . . 0.464 ' O ' ' O ' ' B' ' 41' ' ' SER . 33.5 mt -131.99 141.69 49.36 Favored 'General case' 0 N--CA 1.499 1.984 0 O-C-N 121.442 -0.786 . . . . 0.0 109.215 -179.656 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -60.01 160.59 7.75 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.241 -0.912 . . . . 0.0 109.027 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -63.03 167.49 4.8 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.178 -0.952 . . . . 0.0 109.283 -179.885 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 42.3 mm -77.85 112.21 15.56 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.573 0 O-C-N 121.27 -0.894 . . . . 0.0 110.161 -178.502 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 21.2 ttpp -91.36 -76.16 0.45 Allowed 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.465 -0.772 . . . . 0.0 108.966 179.515 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -101.62 148.64 24.99 Favored 'General case' 0 N--CA 1.5 2.056 0 O-C-N 121.288 -0.883 . . . . 0.0 109.795 179.573 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 37.6 tt0 -60.02 -28.19 67.54 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.27 -0.894 . . . . 0.0 109.363 179.787 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 66.1 mm-40 -54.35 -40.0 67.66 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.265 -0.897 . . . . 0.0 109.425 -179.112 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 54.0 t -59.98 -45.78 94.91 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.469 0 O-C-N 121.142 -0.974 . . . . 0.0 108.887 -179.855 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 76.5 t -61.66 -44.78 99.24 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.422 0 O-C-N 121.413 -0.804 . . . . 0.0 109.481 -179.898 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 96.1 m-20 -61.16 -40.15 92.81 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.164 -0.96 . . . . 0.0 110.045 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 35.5 ttpt -65.37 -40.08 93.09 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.139 -0.976 . . . . 0.0 109.851 -179.62 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 70.1 t -67.36 -47.48 80.91 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.59 0 O-C-N 121.213 -0.93 . . . . 0.0 110.069 -179.338 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 57' ' ' MET . . . . . . . . . . . . . 99.3 mtp -69.66 -40.0 76.73 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.249 -0.907 . . . . 0.0 110.171 -179.208 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 54.2 tp10 -64.47 -40.12 95.09 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.3 -0.875 . . . . 0.0 110.878 -178.956 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 94.3 m -67.81 -50.06 58.86 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.037 -1.039 . . . . 0.0 111.235 -178.472 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 16.4 tp -80.03 -58.84 2.96 Favored 'General case' 0 C--N 1.299 -1.607 0 O-C-N 121.211 -0.931 . . . . 0.0 110.978 -178.176 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 61' ' ' ASP . . . . . 0.432 ' OD1' ' N ' ' B' ' 64' ' ' GLY . 17.7 t0 -81.37 89.21 6.09 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.183 -0.948 . . . . 0.0 110.669 -177.727 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 43.9 tt0 -69.68 -39.99 76.65 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.369 -0.832 . . . . 0.0 109.057 179.197 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 28.3 p-10 -97.92 16.65 20.27 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 121.44 -0.788 . . . . 0.0 109.88 -179.505 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 64' ' ' GLY . . . . . 0.445 ' O ' ' OD1' ' B' ' 65' ' ' ASP . . . -48.34 -28.16 6.16 Favored Glycine 0 N--CA 1.492 2.376 0 N-CA-C 110.173 -1.171 . . . . 0.0 110.173 -179.124 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 65' ' ' ASP . . . . . 0.445 ' OD1' ' O ' ' B' ' 64' ' ' GLY . 2.2 p-10 45.66 26.95 0.38 Allowed 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.347 -1.09 . . . . 0.0 110.005 179.808 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 82.48 -0.35 89.23 Favored Glycine 0 N--CA 1.494 2.548 0 N-CA-C 110.131 -1.188 . . . . 0.0 110.131 179.441 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 67' ' ' GLU . . . . . 0.404 ' OE2' ' C ' ' B' ' 68' ' ' CYS . 4.0 tm-20 -140.41 136.97 33.62 Favored 'General case' 0 N--CA 1.498 1.94 0 O-C-N 121.198 -1.178 . . . . 0.0 109.236 179.893 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 68' ' ' CYS . . . . . 0.404 ' C ' ' OE2' ' B' ' 67' ' ' GLU . 11.2 m -109.61 134.01 52.44 Favored 'General case' 0 N--CA 1.501 2.09 0 O-C-N 121.566 -0.709 . . . . 0.0 110.051 -179.286 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 84.5 m-20 -89.69 170.43 10.45 Favored 'General case' 0 N--CA 1.496 1.838 0 O-C-N 121.351 -0.843 . . . . 0.0 110.064 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 8.8 t80 -57.66 -45.3 85.7 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.382 -0.824 . . . . 0.0 109.089 -179.446 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 30.6 tt0 -60.93 -40.65 94.03 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.135 -0.978 . . . . 0.0 108.983 179.583 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 72' ' ' GLU . . . . . 0.416 ' OE1' ' OD2' ' B' ' 61' ' ' ASP . 43.7 mt-10 -64.72 -39.97 94.55 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.307 -0.87 . . . . 0.0 108.774 179.674 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 73' ' ' PHE . . . . . . . . . . . . . 33.1 t80 -60.26 -39.89 88.38 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.605 -0.684 . . . . 0.0 109.199 178.913 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 74' ' ' MET . . . . . . . . . . . . . 10.5 tpt -60.07 -39.96 87.86 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.44 -0.787 . . . . 0.0 109.215 -179.477 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -60.06 -38.1 81.83 Favored 'General case' 0 N--CA 1.495 1.811 0 O-C-N 121.323 -0.861 . . . . 0.0 110.426 179.75 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 64.3 t80 -60.08 -39.14 85.06 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.173 -0.955 . . . . 0.0 109.108 -179.006 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 77' ' ' VAL . . . . . . . . . . . . . 54.5 t -60.05 -39.95 81.81 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.528 0 O-C-N 121.218 -0.926 . . . . 0.0 109.343 -179.891 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 78' ' ' SER . . . . . . . . . . . . . 85.9 p -59.97 -40.04 87.74 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.178 -0.951 . . . . 0.0 110.495 -179.252 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 79' ' ' MET . . . . . . . . . . . . . 48.1 ttm -59.96 -42.56 94.34 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 120.886 -1.134 . . . . 0.0 109.708 -179.849 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 54.5 t -60.01 -42.43 89.6 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.54 0 O-C-N 121.273 -0.892 . . . . 0.0 109.787 -179.529 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 94.5 m -62.86 -49.22 75.74 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.042 -1.036 . . . . 0.0 109.997 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 79.9 p -72.73 -39.47 66.87 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.2 -0.938 . . . . 0.0 109.844 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 83' ' ' ALA . . . . . 0.575 ' O ' ' N ' ' B' ' 85' ' ' HIS . . . -53.11 -20.02 3.38 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.366 -0.833 . . . . 0.0 110.196 -179.318 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 84' ' ' CYS . . . . . . . . . . . . . 49.0 t -51.02 85.84 0.0 OUTLIER 'General case' 0 N--CA 1.495 1.823 0 O-C-N 121.247 -0.908 . . . . 0.0 109.705 -179.562 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 85' ' ' HIS . . . . . 0.575 ' N ' ' O ' ' B' ' 83' ' ' ALA . 85.3 t60 -69.07 -40.46 78.46 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.364 -0.835 . . . . 0.0 110.079 -179.529 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -89.61 126.21 35.53 Favored 'General case' 0 N--CA 1.496 1.827 0 O-C-N 121.331 -0.855 . . . . 0.0 110.256 -179.118 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 87' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -95.09 154.48 17.16 Favored 'General case' 0 N--CA 1.496 1.849 0 O-C-N 121.331 -0.855 . . . . 0.0 109.271 179.183 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 86.0 m-85 . . . . . 0 N--CA 1.489 1.503 0 O-C-N 121.421 -0.799 . . . . 0.0 109.169 -179.951 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 80.6 p . . . . . 0 N--CA 1.49 1.535 0 CA-C-O 121.525 0.679 . . . . 0.0 110.016 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 95.8 mt-10 -60.09 -39.44 86.14 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.509 -0.745 . . . . 0.0 109.55 179.538 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 3' ' ' LEU . . . . . 0.551 HD13 ' O ' ' A' ' 3' ' ' LEU . 0.3 OUTLIER -60.1 -42.73 95.28 Favored 'General case' 0 C--N 1.301 -1.521 0 O-C-N 121.205 -0.935 . . . . 0.0 108.701 -179.352 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 78.9 mm-40 -60.26 -43.46 96.12 Favored 'General case' 0 C--N 1.304 -1.411 0 O-C-N 121.193 -0.942 . . . . 0.0 109.297 179.852 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 36.4 ttmt -63.35 -40.16 96.52 Favored 'General case' 0 N--CA 1.487 1.417 0 O-C-N 121.378 -0.826 . . . . 0.0 109.428 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -60.08 -48.05 83.33 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.35 -0.844 . . . . 0.0 110.05 -179.439 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 8.7 ttp -60.2 -40.26 89.43 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 120.94 -1.1 . . . . 0.0 109.656 -179.934 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 53.6 t -65.53 -39.12 84.12 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.577 0 O-C-N 121.396 -0.815 . . . . 0.0 109.407 179.67 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.9 -40.21 87.98 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.281 -0.887 . . . . 0.0 110.414 -178.758 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 2.2 mm? -59.93 -43.52 94.88 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 120.498 -1.376 . . . . 0.0 109.186 179.884 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 94.6 mt -71.23 -47.17 61.87 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.64 0 O-C-N 120.922 -1.111 . . . . 0.0 110.532 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 45.7 t0 -68.99 -45.28 70.99 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.083 -1.011 . . . . 0.0 111.073 -178.895 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 53.6 t -60.97 -40.9 87.03 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.868 0 O-C-N 120.8 -1.188 . . . . 0.0 110.213 -179.093 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 55.2 t80 -59.87 -44.22 94.28 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.085 -1.009 . . . . 0.0 110.255 -178.802 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 56.9 t-80 -67.14 -39.61 86.59 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.335 -0.853 . . . . 0.0 111.333 -178.949 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 15.5 mm100 -59.91 -48.41 81.79 Favored 'General case' 0 N--CA 1.496 1.843 0 O-C-N 121.035 -1.041 . . . . 0.0 111.325 -178.151 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 50.4 m-85 -69.67 -40.07 76.62 Favored 'General case' 0 N--CA 1.496 1.836 0 O-C-N 120.624 -1.297 . . . . 0.0 110.601 -179.433 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 39.1 t -60.84 -43.0 98.86 Favored 'General case' 0 N--CA 1.494 1.762 0 O-C-N 120.904 -1.123 . . . . 0.0 111.174 -179.03 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -82.41 -2.85 90.68 Favored Glycine 0 N--CA 1.494 2.55 0 O-C-N 121.064 -1.022 . . . . 0.0 111.551 -178.515 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 2.3 ppt_? -60.1 -40.89 91.22 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 120.447 -1.62 . . . . 0.0 111.002 -178.036 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 88.9 tt0 -78.28 -40.28 37.45 Favored 'General case' 0 N--CA 1.496 1.852 0 O-C-N 120.464 -1.398 . . . . 0.0 109.819 179.786 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 151.28 -28.34 0.98 Allowed Glycine 0 N--CA 1.492 2.393 0 N-CA-C 109.304 -1.518 . . . . 0.0 109.304 -179.762 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 93.9 m-20 -96.45 110.96 23.23 Favored 'General case' 0 N--CA 1.497 1.895 0 O-C-N 121.354 -1.086 . . . . 0.0 108.854 179.678 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' LYS . . . . . 0.439 ' H ' ' HG2' ' A' ' 24' ' ' LYS . 16.5 pttm -100.06 98.84 9.53 Favored 'General case' 0 N--CA 1.499 1.983 0 O-C-N 121.324 -0.86 . . . . 0.0 110.056 -179.792 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 1.9 t60 -177.78 -47.19 0.01 OUTLIER 'General case' 0 N--CA 1.495 1.8 0 O-C-N 121.294 -0.879 . . . . 0.0 110.196 179.484 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 48.6 pttt -146.27 161.78 39.53 Favored 'General case' 0 N--CA 1.496 1.849 0 O-C-N 121.193 -0.942 . . . . 0.0 110.076 -178.292 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.404 ' N ' HD12 ' A' ' 27' ' ' LEU . 5.4 mp -105.84 141.99 36.31 Favored 'General case' 0 N--CA 1.497 1.888 0 O-C-N 121.35 -0.844 . . . . 0.0 109.224 -179.523 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -91.28 177.42 6.25 Favored 'General case' 0 N--CA 1.497 1.908 0 O-C-N 121.186 -0.947 . . . . 0.0 108.964 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.432 ' HZ3' ' HB2' ' A' ' 29' ' ' LYS . 5.9 mtmp? -60.06 -45.99 91.02 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.136 -0.978 . . . . 0.0 110.546 -178.994 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 34.5 t -64.03 -44.51 92.34 Favored 'General case' 0 N--CA 1.494 1.755 0 O-C-N 120.983 -1.073 . . . . 0.0 110.04 -179.088 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 84.2 tt0 -70.04 -30.84 68.21 Favored 'General case' 0 C--N 1.298 -1.631 0 O-C-N 121.352 -0.842 . . . . 0.0 110.094 -179.697 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 59.5 tp -59.82 -50.0 75.52 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.371 -0.83 . . . . 0.0 110.576 -178.212 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.412 ' H ' ' HG2' ' A' ' 33' ' ' LYS . 0.0 OUTLIER -61.63 -37.32 83.57 Favored 'General case' 0 C--N 1.297 -1.685 0 O-C-N 121.023 -1.048 . . . . 0.0 109.681 -179.921 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 34' ' ' GLU . . . . . 0.607 ' O ' ' ND2' ' A' ' 38' ' ' ASN . 87.6 tt0 -60.22 -44.86 94.82 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 120.89 -1.131 . . . . 0.0 109.957 -179.451 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 18.0 tp -60.19 -40.41 89.95 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.44 -0.787 . . . . 0.0 109.284 -179.641 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 97.1 mt -69.94 -36.89 71.09 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.642 0 O-C-N 121.536 -0.728 . . . . 0.0 110.374 -179.785 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 52.7 t30 -59.44 -46.09 89.73 Favored 'General case' 0 N--CA 1.497 1.913 0 O-C-N 121.16 -0.962 . . . . 0.0 111.159 -177.806 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 38' ' ' ASN . . . . . 0.607 ' ND2' ' O ' ' A' ' 34' ' ' GLU . 0.1 OUTLIER -79.68 -19.96 47.72 Favored 'General case' 0 N--CA 1.496 1.841 0 O-C-N 120.708 -1.245 . . . . 0.0 109.539 -179.962 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 39' ' ' GLU . . . . . 0.48 ' N ' ' OE1' ' A' ' 39' ' ' GLU . 0.2 OUTLIER -86.92 -75.39 0.4 Allowed 'General case' 0 N--CA 1.496 1.841 0 O-C-N 121.112 -0.992 . . . . 0.0 109.221 179.796 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 5.5 mp -91.79 104.23 16.7 Favored 'General case' 0 N--CA 1.497 1.884 0 O-C-N 121.032 -1.042 . . . . 0.0 109.345 -179.713 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 94.4 p -101.93 -43.21 5.86 Favored 'General case' 0 N--CA 1.495 1.793 0 O-C-N 121.541 -0.724 . . . . 0.0 110.31 -179.836 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 73.0 t60 -124.48 -12.53 7.24 Favored 'General case' 0 N--CA 1.506 2.355 0 O-C-N 121.104 -0.998 . . . . 0.0 110.55 -179.474 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 41.4 t80 -66.9 -42.96 84.59 Favored 'General case' 0 N--CA 1.492 1.675 0 O-C-N 120.708 -1.245 . . . . 0.0 109.162 -179.874 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 10.4 tp -103.18 132.89 49.09 Favored 'General case' 0 N--CA 1.496 1.866 0 O-C-N 121.516 -0.74 . . . . 0.0 109.268 -179.668 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 86.8 tt0 -100.01 -10.12 21.95 Favored 'General case' 0 N--CA 1.495 1.792 0 O-C-N 121.266 -0.896 . . . . 0.0 109.885 -179.761 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 5.1 tp10 -78.35 -164.46 0.56 Allowed 'General case' 0 N--CA 1.495 1.788 0 O-C-N 120.791 -1.193 . . . . 0.0 110.803 -178.736 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.411 HG23 ' CG2' ' A' ' 53' ' ' VAL . 90.3 mt 56.57 72.6 0.1 Allowed 'Isoleucine or valine' 0 N--CA 1.497 1.888 0 O-C-N 121.536 -0.727 . . . . 0.0 109.211 -178.751 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 9.8 pttm -108.61 -42.85 4.42 Favored 'General case' 0 N--CA 1.501 2.108 0 O-C-N 121.476 -0.765 . . . . 0.0 109.678 179.926 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 14.9 mp0 -113.02 153.51 27.99 Favored 'General case' 0 N--CA 1.507 2.397 0 O-C-N 121.283 -0.885 . . . . 0.0 109.276 178.879 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -60.25 -40.23 89.57 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.551 -0.718 . . . . 0.0 110.814 -179.624 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 4.5 pt-20 -60.19 -38.84 84.48 Favored 'General case' 0 N--CA 1.496 1.833 0 O-C-N 120.959 -1.088 . . . . 0.0 109.48 -179.629 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 54.0 t -60.05 -40.54 83.53 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.508 0 O-C-N 121.184 -0.948 . . . . 0.0 108.617 179.861 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.411 ' CG2' HG23 ' A' ' 47' ' ' ILE . 56.0 t -60.89 -40.54 85.65 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.785 0 O-C-N 121.321 -0.862 . . . . 0.0 109.684 179.348 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 54' ' ' ASP . . . . . 0.486 ' O ' ' OE1' ' A' ' 58' ' ' GLU . 93.5 m-20 -60.1 -41.25 92.14 Favored 'General case' 0 C--N 1.301 -1.534 0 O-C-N 121.256 -0.903 . . . . 0.0 109.987 -179.1 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 36.1 ttmt -60.72 -40.55 92.72 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.075 -1.015 . . . . 0.0 110.204 -179.67 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 62.6 t -60.82 -40.05 83.88 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.603 0 O-C-N 121.472 -0.767 . . . . 0.0 110.255 -179.234 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 33.3 ttm -60.19 -51.36 69.9 Favored 'General case' 0 N--CA 1.498 1.951 0 O-C-N 121.256 -0.903 . . . . 0.0 112.078 -178.679 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 58' ' ' GLU . . . . . 0.486 ' OE1' ' O ' ' A' ' 54' ' ' ASP . 10.8 mp0 -60.47 -40.1 90.05 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 120.958 -1.089 . . . . 0.0 109.457 -179.429 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 94.0 m -63.92 -49.51 72.34 Favored 'General case' 0 C--N 1.298 -1.635 0 C-N-CA 119.479 -0.888 . . . . 0.0 109.109 179.669 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 12.8 tp -69.19 -50.93 42.96 Favored 'General case' 0 C--N 1.303 -1.425 0 O-C-N 121.555 -0.716 . . . . 0.0 109.722 179.896 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 19.4 m-20 -81.87 105.99 13.44 Favored 'General case' 0 N--CA 1.495 1.805 0 O-C-N 121.061 -1.024 . . . . 0.0 110.093 -179.538 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 53.8 tp10 -69.95 -34.86 73.98 Favored 'General case' 0 N--CA 1.496 1.862 0 O-C-N 121.238 -0.914 . . . . 0.0 109.139 179.31 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 63' ' ' ASP . . . . . 0.405 ' OD1' ' N ' ' A' ' 65' ' ' ASP . 6.8 p30 -83.62 -6.37 59.43 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.521 -0.737 . . . . 0.0 110.762 -179.394 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 51.19 48.25 47.49 Favored Glycine 0 N--CA 1.491 2.312 0 N-CA-C 109.612 -1.395 . . . . 0.0 109.612 -179.513 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 65' ' ' ASP . . . . . 0.405 ' N ' ' OD1' ' A' ' 63' ' ' ASP . 96.3 m-20 -69.95 -19.63 63.36 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 120.895 -1.356 . . . . 0.0 109.893 -179.796 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 89.55 -11.41 70.16 Favored Glycine 0 N--CA 1.497 2.718 0 C-N-CA 120.166 -1.016 . . . . 0.0 110.563 178.951 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 -134.81 148.97 50.31 Favored 'General case' 0 N--CA 1.498 1.956 0 O-C-N 121.26 -1.141 . . . . 0.0 108.894 -179.849 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 7.9 p -106.2 118.46 36.69 Favored 'General case' 0 N--CA 1.5 2.06 0 O-C-N 121.331 -0.856 . . . . 0.0 110.48 -178.936 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 22.9 p30 -89.38 -177.78 5.44 Favored 'General case' 0 N--CA 1.498 1.93 0 O-C-N 121.06 -1.025 . . . . 0.0 108.838 178.576 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 70.7 t80 -60.2 -46.94 88.01 Favored 'General case' 0 N--CA 1.494 1.74 0 O-C-N 121.094 -1.004 . . . . 0.0 111.319 -178.565 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 71' ' ' GLN . . . . . 0.416 ' HG2' ' H ' ' A' ' 71' ' ' GLN . 4.3 pt20 -60.21 -50.05 75.2 Favored 'General case' 0 N--CA 1.495 1.779 0 O-C-N 120.82 -1.175 . . . . 0.0 110.009 -178.785 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 94.4 mt-10 -61.06 -37.26 82.05 Favored 'General case' 0 N--CA 1.497 1.88 0 O-C-N 120.795 -1.191 . . . . 0.0 109.192 179.131 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 89.0 t80 -59.86 -44.46 94.14 Favored 'General case' 0 N--CA 1.488 1.464 0 O-C-N 121.355 -0.841 . . . . 0.0 109.483 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 4.3 ttt -61.76 -37.73 85.4 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.212 -0.93 . . . . 0.0 109.273 179.559 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -59.33 -39.83 84.39 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.257 -0.902 . . . . 0.0 109.001 -179.831 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 62.6 t80 -60.28 -49.13 78.82 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.199 -0.938 . . . . 0.0 109.236 179.396 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 56.7 t -62.57 -45.7 98.17 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.491 0 O-C-N 121.335 -0.853 . . . . 0.0 109.338 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 53.1 m -62.73 -42.5 99.69 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.576 -0.703 . . . . 0.0 109.889 -179.819 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 5.9 ttp -61.9 -48.94 78.24 Favored 'General case' 0 N--CA 1.494 1.758 0 O-C-N 121.116 -0.99 . . . . 0.0 109.243 179.843 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 78.7 t -68.33 -41.86 83.9 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.472 0 O-C-N 121.547 -0.721 . . . . 0.0 109.226 179.919 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 92.2 m -62.77 -40.05 96.07 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.252 -0.905 . . . . 0.0 109.557 -179.685 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 93.2 m -69.57 -41.69 75.51 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.347 -0.846 . . . . 0.0 110.793 -179.425 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -62.87 -48.11 80.45 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 120.977 -1.077 . . . . 0.0 109.451 -179.457 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 84' ' ' CYS . . . . . 0.498 ' SG ' ' O ' ' A' ' 84' ' ' CYS . 28.0 p -80.03 105.44 11.31 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.181 -0.949 . . . . 0.0 108.94 179.69 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 6.8 t60 -61.56 -40.4 94.58 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.275 -0.891 . . . . 0.0 109.59 -179.589 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -152.49 -77.48 0.12 Allowed 'General case' 0 N--CA 1.496 1.867 0 N-CA-C 108.046 -1.094 . . . . 0.0 108.046 179.37 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER 59.78 18.78 7.62 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.423 -0.798 . . . . 0.0 109.42 179.212 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 88' ' ' PHE . . . . . 0.545 ' CD1' ' O ' ' A' ' 88' ' ' PHE . 0.2 OUTLIER . . . . . 0 N--CA 1.493 1.695 0 O-C-N 121.136 -0.978 . . . . 0.0 109.305 179.877 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 77.2 p . . . . . 0 N--CA 1.488 1.455 0 CA-C-O 121.635 0.731 . . . . 0.0 109.905 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -60.67 -39.79 89.72 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.561 -0.712 . . . . 0.0 109.502 179.919 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 3' ' ' LEU . . . . . 0.561 HD13 ' O ' ' B' ' 3' ' ' LEU . 0.3 OUTLIER -59.94 -41.59 92.16 Favored 'General case' 0 C--N 1.3 -1.581 0 O-C-N 121.183 -0.948 . . . . 0.0 108.922 -179.365 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 79.2 mm-40 -61.06 -44.83 96.8 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.326 -0.858 . . . . 0.0 109.187 179.819 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 36.8 ttmt -62.27 -39.91 94.5 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.371 -0.83 . . . . 0.0 109.69 179.49 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -60.17 -48.58 81.13 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.24 -0.912 . . . . 0.0 110.013 -179.462 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 7' ' ' MET . . . . . . . . . . . . . 7.5 ttp -59.92 -40.37 88.64 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 120.981 -1.075 . . . . 0.0 109.677 -179.786 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 54.2 t -65.41 -38.93 83.69 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.625 0 O-C-N 121.25 -0.906 . . . . 0.0 109.634 179.356 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.19 -40.59 86.2 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.231 -0.918 . . . . 0.0 110.35 -178.881 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -59.82 -43.6 94.46 Favored 'General case' 0 N--CA 1.496 1.861 0 O-C-N 120.634 -1.291 . . . . 0.0 109.511 179.878 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 94.4 mt -71.48 -47.27 59.57 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.621 0 O-C-N 120.971 -1.081 . . . . 0.0 110.298 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 45.4 t0 -69.39 -45.55 69.01 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.187 -0.946 . . . . 0.0 111.149 -178.936 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 70.5 t -60.31 -41.07 85.8 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.812 0 O-C-N 120.795 -1.191 . . . . 0.0 110.161 -179.15 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 14' ' ' PHE . . . . . . . . . . . . . 53.5 t80 -59.93 -45.17 93.46 Favored 'General case' 0 C--N 1.296 -1.729 0 O-C-N 121.086 -1.008 . . . . 0.0 110.382 -178.67 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 56.1 t-80 -65.89 -39.69 90.88 Favored 'General case' 0 C--N 1.297 -1.714 0 O-C-N 121.425 -0.797 . . . . 0.0 111.298 -179.034 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 15.3 mm100 -59.95 -49.21 78.59 Favored 'General case' 0 N--CA 1.498 1.929 0 O-C-N 120.866 -1.146 . . . . 0.0 111.254 -177.936 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 51.7 m-85 -68.86 -40.15 79.49 Favored 'General case' 0 N--CA 1.497 1.902 0 O-C-N 120.688 -1.258 . . . . 0.0 110.99 -179.209 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 42.4 t -60.86 -43.87 97.78 Favored 'General case' 0 N--CA 1.498 1.941 0 O-C-N 120.675 -1.265 . . . . 0.0 110.881 -178.985 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -81.43 -3.2 90.69 Favored Glycine 0 N--CA 1.491 2.353 0 O-C-N 121.117 -0.989 . . . . 0.0 111.66 -178.449 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 2.0 ppt_? -60.1 -41.23 92.08 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 120.574 -1.545 . . . . 0.0 110.86 -178.358 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 87.5 tt0 -77.66 -40.2 42.43 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 120.632 -1.293 . . . . 0.0 109.57 -179.807 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . 150.89 -28.24 1.02 Allowed Glycine 0 N--CA 1.493 2.437 0 N-CA-C 109.287 -1.525 . . . . 0.0 109.287 -179.572 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 94.7 m-20 -96.58 110.87 23.19 Favored 'General case' 0 N--CA 1.495 1.782 0 O-C-N 121.292 -1.122 . . . . 0.0 108.846 179.83 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 24' ' ' LYS . . . . . 0.415 ' H ' ' HG2' ' B' ' 24' ' ' LYS . 16.1 pttm -99.77 99.51 10.34 Favored 'General case' 0 N--CA 1.501 2.087 0 O-C-N 121.282 -0.886 . . . . 0.0 110.302 -179.932 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 25' ' ' HIS . . . . . . . . . . . . . 1.9 t60 -178.45 -47.95 0.01 OUTLIER 'General case' 0 N--CA 1.495 1.818 0 O-C-N 121.48 -0.762 . . . . 0.0 110.293 179.333 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 48.9 pttt -146.27 161.08 41.06 Favored 'General case' 0 N--CA 1.496 1.828 0 O-C-N 121.288 -0.883 . . . . 0.0 110.057 -178.096 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 27' ' ' LEU . . . . . 0.437 HD12 ' N ' ' B' ' 27' ' ' LEU . 5.4 mp -104.78 142.01 35.47 Favored 'General case' 0 N--CA 1.5 2.038 0 O-C-N 121.332 -0.855 . . . . 0.0 109.798 -179.482 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -90.42 176.82 6.57 Favored 'General case' 0 N--CA 1.498 1.947 0 O-C-N 121.141 -0.974 . . . . 0.0 109.106 179.636 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 5.9 mtmp? -59.93 -47.11 87.11 Favored 'General case' 0 N--CA 1.495 1.789 0 O-C-N 120.991 -1.068 . . . . 0.0 110.493 -178.995 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 47.3 t -62.85 -44.32 96.45 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 121.081 -1.012 . . . . 0.0 109.994 -179.21 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 86.4 tt0 -70.03 -31.95 69.85 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.398 -0.814 . . . . 0.0 110.217 -179.761 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 69.0 tp -59.87 -49.94 75.72 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.16 -0.962 . . . . 0.0 110.122 -178.178 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.59 -38.29 84.15 Favored 'General case' 0 C--N 1.302 -1.484 0 O-C-N 120.971 -1.08 . . . . 0.0 109.74 179.764 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 34' ' ' GLU . . . . . 0.616 ' O ' ' ND2' ' B' ' 38' ' ' ASN . 88.0 tt0 -60.19 -44.23 95.26 Favored 'General case' 0 N--CA 1.494 1.769 0 O-C-N 120.964 -1.085 . . . . 0.0 110.063 -179.578 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 21.1 tp -60.07 -41.27 92.06 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 121.349 -0.845 . . . . 0.0 109.167 -179.682 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 96.7 mt -69.65 -35.93 68.18 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.6 0 O-C-N 121.57 -0.706 . . . . 0.0 110.532 -179.609 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 52.6 t30 -59.77 -46.69 88.41 Favored 'General case' 0 N--CA 1.498 1.938 0 O-C-N 121.018 -1.051 . . . . 0.0 111.404 -177.737 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 38' ' ' ASN . . . . . 0.616 ' ND2' ' O ' ' B' ' 34' ' ' GLU . 0.2 OUTLIER -79.76 -17.38 53.6 Favored 'General case' 0 N--CA 1.498 1.957 0 O-C-N 120.705 -1.247 . . . . 0.0 109.86 -179.866 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' B' B ' 39' ' ' GLU . . . . . 0.488 ' OE1' ' N ' ' B' ' 39' ' ' GLU . 0.2 OUTLIER -88.53 -74.98 0.44 Allowed 'General case' 0 N--CA 1.496 1.851 0 O-C-N 120.854 -1.154 . . . . 0.0 109.04 179.641 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 5.5 mp -93.45 103.65 15.84 Favored 'General case' 0 N--CA 1.497 1.897 0 O-C-N 121.208 -0.932 . . . . 0.0 109.215 -179.594 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 54.2 p -100.97 -42.69 6.31 Favored 'General case' 0 N--CA 1.496 1.837 0 O-C-N 121.337 -0.852 . . . . 0.0 110.261 179.862 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 42' ' ' HIS . . . . . . . . . . . . . 70.7 t60 -124.35 -12.14 7.34 Favored 'General case' 0 N--CA 1.503 2.216 0 O-C-N 121.332 -0.855 . . . . 0.0 110.495 -178.918 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 43.8 t80 -67.5 -43.08 81.75 Favored 'General case' 0 N--CA 1.496 1.828 0 O-C-N 120.739 -1.226 . . . . 0.0 108.899 -179.587 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 7.9 tp -103.66 132.57 49.79 Favored 'General case' 0 N--CA 1.494 1.752 0 N-CA-C 109.104 -0.702 . . . . 0.0 109.104 -179.621 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 86.8 tt0 -99.7 -10.45 21.91 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.435 -0.79 . . . . 0.0 109.787 -179.577 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 46' ' ' GLU . . . . . 0.42 ' HG3' ' H ' ' B' ' 47' ' ' ILE . 5.4 tp10 -78.32 -164.21 0.53 Allowed 'General case' 0 N--CA 1.493 1.694 0 O-C-N 120.597 -1.314 . . . . 0.0 110.536 -178.659 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 47' ' ' ILE . . . . . 0.42 ' H ' ' HG3' ' B' ' 46' ' ' GLU . 87.4 mt 56.84 72.59 0.1 Allowed 'Isoleucine or valine' 0 N--CA 1.496 1.861 0 O-C-N 121.499 -0.751 . . . . 0.0 109.19 -178.909 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 8.9 pttm -108.8 -43.77 4.17 Favored 'General case' 0 N--CA 1.501 2.12 0 O-C-N 121.493 -0.754 . . . . 0.0 109.93 -179.89 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 13.7 mp0 -111.8 153.84 25.97 Favored 'General case' 0 N--CA 1.506 2.345 0 O-C-N 121.384 -0.822 . . . . 0.0 109.325 179.083 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -60.43 -40.53 91.42 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.605 -0.684 . . . . 0.0 110.573 -179.724 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 4.3 pt-20 -59.98 -39.1 84.52 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 121.07 -1.019 . . . . 0.0 109.527 -179.683 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 56.0 t -60.19 -40.57 83.97 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.375 0 O-C-N 121.252 -0.905 . . . . 0.0 108.698 179.685 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 55.5 t -60.66 -40.4 84.61 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.635 0 O-C-N 121.237 -0.915 . . . . 0.0 109.843 178.956 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 54' ' ' ASP . . . . . 0.499 ' O ' ' OE1' ' B' ' 58' ' ' GLU . 92.7 m-20 -60.16 -41.4 92.75 Favored 'General case' 0 N--CA 1.487 1.415 0 C-N-CA 119.215 -0.994 . . . . 0.0 109.644 -178.357 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 35.4 ttmt -59.97 -40.71 90.02 Favored 'General case' 0 N--CA 1.494 1.742 0 O-C-N 121.055 -1.028 . . . . 0.0 110.145 -179.52 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 54.2 t -60.84 -39.96 83.61 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.633 0 O-C-N 121.396 -0.815 . . . . 0.0 110.512 -179.125 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 57' ' ' MET . . . . . . . . . . . . . 31.7 ttm -60.18 -51.44 69.57 Favored 'General case' 0 N--CA 1.496 1.864 0 O-C-N 121.306 -0.871 . . . . 0.0 111.741 -178.53 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 58' ' ' GLU . . . . . 0.499 ' OE1' ' O ' ' B' ' 54' ' ' ASP . 9.8 mp0 -59.96 -40.37 88.82 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 120.98 -1.075 . . . . 0.0 109.434 -179.724 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 95.2 m -63.99 -49.98 70.35 Favored 'General case' 0 C--N 1.301 -1.503 0 C-N-CA 119.499 -0.88 . . . . 0.0 109.16 179.847 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 13.9 tp -68.87 -50.76 47.04 Favored 'General case' 0 C--N 1.302 -1.483 0 O-C-N 121.468 -0.77 . . . . 0.0 109.533 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 18.8 m-20 -81.74 105.04 12.56 Favored 'General case' 0 N--CA 1.498 1.93 0 O-C-N 121.099 -1.001 . . . . 0.0 110.531 -179.597 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 53.9 tp10 -70.0 -33.33 71.89 Favored 'General case' 0 N--CA 1.498 1.956 0 O-C-N 121.278 -0.889 . . . . 0.0 109.444 179.316 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 7.8 p30 -85.68 -5.82 59.21 Favored 'General case' 0 N--CA 1.499 1.989 0 O-C-N 121.285 -0.884 . . . . 0.0 110.136 -179.492 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 49.55 49.53 32.92 Favored Glycine 0 N--CA 1.493 2.462 0 N-CA-C 109.47 -1.452 . . . . 0.0 109.47 -179.281 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 94.3 m-20 -70.05 -19.55 63.28 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 120.95 -1.323 . . . . 0.0 109.507 -179.734 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 89.93 -10.73 72.89 Favored Glycine 0 N--CA 1.497 2.716 0 N-CA-C 110.435 -1.066 . . . . 0.0 110.435 178.774 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -134.53 148.62 50.55 Favored 'General case' 0 N--CA 1.498 1.95 0 O-C-N 121.34 -1.094 . . . . 0.0 108.721 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 68' ' ' CYS . . . . . . . . . . . . . 11.4 p -106.67 118.9 37.89 Favored 'General case' 0 N--CA 1.5 2.035 0 O-C-N 121.286 -0.884 . . . . 0.0 110.362 -179.098 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 24.9 p30 -89.94 -178.32 5.43 Favored 'General case' 0 N--CA 1.495 1.802 0 O-C-N 121.133 -0.98 . . . . 0.0 108.804 178.853 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 76.7 t80 -59.62 -47.43 85.62 Favored 'General case' 0 N--CA 1.496 1.827 0 O-C-N 121.249 -0.907 . . . . 0.0 111.349 -178.514 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 71' ' ' GLN . . . . . 0.408 ' HG2' ' H ' ' B' ' 71' ' ' GLN . 4.6 pt20 -59.84 -48.7 80.61 Favored 'General case' 0 N--CA 1.494 1.74 0 O-C-N 120.667 -1.271 . . . . 0.0 109.973 -178.665 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 94.7 mt-10 -62.76 -36.67 83.82 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 120.802 -1.186 . . . . 0.0 109.085 179.613 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 73' ' ' PHE . . . . . . . . . . . . . 89.2 t80 -60.02 -44.61 94.5 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.606 -0.684 . . . . 0.0 109.179 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 74' ' ' MET . . . . . . . . . . . . . 3.9 ttt -60.37 -38.83 85.11 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.299 -0.876 . . . . 0.0 109.205 179.294 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -59.36 -40.07 85.26 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.144 -0.973 . . . . 0.0 109.239 -179.118 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 54.6 t80 -59.95 -49.29 78.28 Favored 'General case' 0 C--N 1.302 -1.496 0 O-C-N 121.352 -0.842 . . . . 0.0 109.455 179.535 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 77' ' ' VAL . . . . . . . . . . . . . 54.6 t -61.99 -46.6 96.12 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.517 0 O-C-N 121.258 -0.901 . . . . 0.0 108.759 179.55 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 78' ' ' SER . . . . . . . . . . . . . 57.0 m -61.48 -43.86 98.12 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.408 -0.808 . . . . 0.0 109.845 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 79' ' ' MET . . . . . . . . . . . . . 7.1 ttp -60.4 -49.58 77.0 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.168 -0.957 . . . . 0.0 109.493 179.66 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 73.8 t -68.66 -41.17 82.55 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.51 0 O-C-N 121.467 -0.77 . . . . 0.0 109.338 -179.687 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 92.0 m -62.67 -40.33 96.74 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.305 -0.872 . . . . 0.0 109.463 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 89.9 m -69.39 -43.57 73.23 Favored 'General case' 0 N--CA 1.494 1.761 0 O-C-N 121.408 -0.807 . . . . 0.0 110.636 -179.228 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -60.96 -48.37 82.13 Favored 'General case' 0 N--CA 1.495 1.776 0 O-C-N 120.99 -1.069 . . . . 0.0 109.696 -179.373 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 84' ' ' CYS . . . . . 0.507 ' SG ' ' O ' ' B' ' 84' ' ' CYS . 29.6 p -80.57 105.57 11.92 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 121.185 -0.947 . . . . 0.0 108.945 179.74 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 85' ' ' HIS . . . . . . . . . . . . . 6.5 t60 -61.21 -39.99 92.31 Favored 'General case' 0 C--N 1.302 -1.483 0 O-C-N 121.136 -0.977 . . . . 0.0 109.778 -179.511 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -153.29 -76.7 0.12 Allowed 'General case' 0 N--CA 1.496 1.869 0 N-CA-C 108.0 -1.111 . . . . 0.0 108.0 179.608 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 87' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER 58.72 19.67 7.07 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.506 -0.746 . . . . 0.0 109.607 179.284 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 88' ' ' PHE . . . . . 0.541 ' O ' ' CD1' ' B' ' 88' ' ' PHE . 0.2 OUTLIER . . . . . 0 N--CA 1.492 1.645 0 O-C-N 121.066 -1.021 . . . . 0.0 109.428 179.849 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 25.9 t . . . . . 0 N--CA 1.498 1.948 0 N-CA-C 109.152 -0.684 . . . . 0.0 109.152 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 81.3 mm-40 -68.28 -38.06 81.31 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.282 -0.886 . . . . 0.0 109.231 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 6.4 tp -60.04 -43.45 95.32 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.249 -0.907 . . . . 0.0 109.103 -179.813 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 40.5 tt0 -63.81 -39.94 95.44 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.237 -0.914 . . . . 0.0 110.294 -179.792 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 3.2 ttmp? -60.11 -41.41 92.54 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.018 -1.051 . . . . 0.0 108.742 -179.691 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 6' ' ' ALA . . . . . 0.481 ' HB1' ' HB1' ' B' ' 6' ' ' ALA . . . -61.98 -40.01 94.12 Favored 'General case' 0 C--N 1.303 -1.439 0 O-C-N 121.376 -0.827 . . . . 0.0 109.3 179.712 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 91.1 mmm -60.11 -39.94 87.94 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.203 -0.936 . . . . 0.0 109.833 -179.636 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 54.4 t -67.6 -40.1 83.53 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.661 0 O-C-N 121.095 -1.003 . . . . 0.0 109.873 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -63.07 -41.47 99.45 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.267 -0.896 . . . . 0.0 110.57 -179.184 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 8.3 mp -60.06 -46.32 89.94 Favored 'General case' 0 N--CA 1.494 1.766 0 O-C-N 120.957 -1.089 . . . . 0.0 109.284 -179.677 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 90.5 mt -65.75 -41.11 89.63 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.539 0 O-C-N 121.299 -0.875 . . . . 0.0 109.539 -179.901 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 12' ' ' ASP . . . . . 0.401 ' OD1' ' C ' ' A' ' 12' ' ' ASP . 22.3 t0 -62.66 -49.5 74.9 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.448 -0.782 . . . . 0.0 111.142 -178.881 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 55.9 t -61.24 -41.16 88.53 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.701 0 O-C-N 121.041 -1.037 . . . . 0.0 110.36 -178.551 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' PHE . . . . . 0.455 ' CZ ' HD23 ' A' ' 27' ' ' LEU . 30.6 t80 -60.1 -52.05 67.02 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.251 -0.906 . . . . 0.0 111.729 -178.674 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 12.3 t-80 -81.84 -36.15 28.61 Favored 'General case' 0 N--CA 1.497 1.919 0 O-C-N 121.061 -1.024 . . . . 0.0 112.613 -178.081 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 66.6 tt0 -60.01 -54.44 45.96 Favored 'General case' 0 N--CA 1.494 1.739 0 O-C-N 120.87 -1.144 . . . . 0.0 113.013 -176.096 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' TYR . . . . . 0.49 ' O ' ' CD1' ' A' ' 17' ' ' TYR . 8.5 t80 -82.12 -20.79 37.34 Favored 'General case' 0 N--CA 1.501 2.081 0 O-C-N 120.707 -1.245 . . . . 0.0 112.422 -176.889 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 35.4 t -66.14 -44.77 83.25 Favored 'General case' 0 N--CA 1.497 1.914 0 O-C-N 120.753 -1.217 . . . . 0.0 113.145 -177.554 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -81.06 -11.46 83.67 Favored Glycine 0 N--CA 1.5 2.905 0 O-C-N 120.504 -1.373 . . . . 0.0 112.365 -177.283 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 28.7 mmt180 -60.58 -50.35 73.87 Favored 'General case' 0 N--CA 1.497 1.884 0 O-C-N 120.393 -1.651 . . . . 0.0 110.458 -178.858 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 85.2 tt0 -172.27 -18.47 0.01 OUTLIER 'General case' 0 N--CA 1.494 1.766 0 O-C-N 121.212 -0.93 . . . . 0.0 109.838 -179.411 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -57.07 -49.96 67.85 Favored Glycine 0 N--CA 1.491 2.335 0 N-CA-C 109.955 -1.258 . . . . 0.0 109.955 -179.39 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' ASP . . . . . 0.501 ' OD1' ' N ' ' A' ' 24' ' ' LYS . 9.4 t70 -162.78 168.52 21.32 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.133 -1.216 . . . . 0.0 109.686 -179.877 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 24' ' ' LYS . . . . . 0.501 ' N ' ' OD1' ' A' ' 23' ' ' ASP . 17.2 ttmm -85.18 100.07 11.5 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.08 -1.013 . . . . 0.0 110.905 -179.063 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 9.6 t60 39.4 26.82 0.02 OUTLIER 'General case' 0 N--CA 1.495 1.805 0 O-C-N 121.715 -0.616 . . . . 0.0 111.801 178.01 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.438 ' N ' ' O ' ' A' ' 24' ' ' LYS . 86.2 mttt -146.0 160.93 41.18 Favored 'General case' 0 N--CA 1.502 2.126 0 O-C-N 120.728 -1.233 . . . . 0.0 108.944 178.815 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.455 HD23 ' CZ ' ' A' ' 14' ' ' PHE . 3.3 mm? -104.4 129.98 52.31 Favored 'General case' 0 N--CA 1.501 2.095 0 O-C-N 121.245 -0.909 . . . . 0.0 109.584 -179.738 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 40.4 mmtt -124.43 161.15 26.62 Favored 'General case' 0 N--CA 1.498 1.937 0 N-CA-C 108.11 -1.07 . . . . 0.0 108.11 179.16 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.0 -24.57 2.68 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.088 -1.008 . . . . 0.0 110.278 -179.428 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 51.7 p -64.69 -42.2 95.48 Favored 'General case' 0 N--CA 1.495 1.808 0 O-C-N 120.937 -1.102 . . . . 0.0 110.953 -179.379 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 37.0 mt-10 -68.1 -35.65 78.49 Favored 'General case' 0 N--CA 1.497 1.907 0 O-C-N 120.792 -1.192 . . . . 0.0 110.66 -179.449 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.536 HD12 ' N ' ' A' ' 32' ' ' LEU . 10.8 mp -59.88 -41.46 91.63 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 120.93 -1.106 . . . . 0.0 109.199 -179.144 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 86.5 tttt -59.86 -41.85 92.41 Favored 'General case' 0 C--N 1.301 -1.504 0 O-C-N 120.946 -1.096 . . . . 0.0 109.265 179.251 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 34' ' ' GLU . . . . . 0.445 ' OE1' ' ND2' ' A' ' 38' ' ' ASN . 1.9 mm-40 -66.23 -51.64 55.6 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.232 -0.918 . . . . 0.0 109.66 -179.927 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 70.5 mt -60.11 -46.83 88.29 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.139 -0.976 . . . . 0.0 109.306 -179.74 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.503 ' O ' ' O ' ' A' ' 40' ' ' LEU . 96.6 mt -62.69 -39.43 84.71 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.445 0 O-C-N 121.447 -0.783 . . . . 0.0 109.856 -179.852 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 59.0 t-20 -75.89 -57.34 3.94 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.105 -0.997 . . . . 0.0 111.708 -178.696 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 38' ' ' ASN . . . . . 0.445 ' ND2' ' OE1' ' A' ' 34' ' ' GLU . 98.6 m-20 -80.18 -69.36 0.6 Allowed 'General case' 0 N--CA 1.498 1.958 0 O-C-N 120.965 -1.084 . . . . 0.0 112.659 -177.399 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 30.5 tt0 -57.16 -84.59 0.01 OUTLIER 'General case' 0 N--CA 1.497 1.902 0 O-C-N 120.956 -1.09 . . . . 0.0 111.163 -177.129 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.503 ' O ' ' O ' ' A' ' 36' ' ' ILE . 3.8 mm? -71.55 147.85 47.26 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 120.711 -1.243 . . . . 0.0 108.838 -179.925 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 5.1 t -166.81 -18.52 0.02 OUTLIER 'General case' 0 C--N 1.299 -1.597 0 O-C-N 121.259 -0.901 . . . . 0.0 109.894 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 60.2 t-80 -75.35 -57.57 3.81 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.111 -0.993 . . . . 0.0 111.026 -179.115 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 70.8 m-85 -69.93 -42.06 73.78 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.21 -0.931 . . . . 0.0 111.275 -178.13 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 23.2 mt -121.78 132.8 54.8 Favored 'General case' 0 N--CA 1.503 2.202 0 O-C-N 121.347 -0.846 . . . . 0.0 109.485 -179.429 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 61.8 tt0 -162.2 23.12 0.11 Allowed 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.124 -0.985 . . . . 0.0 109.437 179.923 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 69.4 mm-40 -102.15 13.86 33.54 Favored 'General case' 0 N--CA 1.501 2.075 0 O-C-N 121.156 -0.965 . . . . 0.0 110.722 -179.231 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 30.3 mm -68.28 96.49 0.35 Allowed 'Isoleucine or valine' 0 N--CA 1.488 1.458 0 O-C-N 120.648 -1.282 . . . . 0.0 108.911 -179.627 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 68.6 mttm -116.67 -28.38 6.4 Favored 'General case' 0 N--CA 1.496 1.847 0 N-CA-C 109.076 -0.712 . . . . 0.0 109.076 179.821 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -129.94 150.08 51.39 Favored 'General case' 0 N--CA 1.498 1.956 0 O-C-N 121.651 -0.656 . . . . 0.0 109.957 -179.22 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 50' ' ' GLN . . . . . 0.473 ' CD ' ' N ' ' A' ' 50' ' ' GLN . 14.8 mp0 -69.98 -25.28 63.54 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.484 -0.76 . . . . 0.0 109.349 179.616 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 71.3 mm-40 -59.98 -40.01 87.66 Favored 'General case' 0 N--CA 1.488 1.426 0 O-C-N 121.318 -0.864 . . . . 0.0 109.408 -179.358 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 54.6 t -65.86 -40.99 89.14 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.511 0 O-C-N 121.197 -0.939 . . . . 0.0 109.023 179.643 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 60.7 t -60.85 -44.59 98.0 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.584 0 O-C-N 121.331 -0.856 . . . . 0.0 109.478 -179.629 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 12.8 t0 -60.05 -43.43 95.37 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.176 -0.953 . . . . 0.0 109.652 -179.892 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 61.0 mttp -64.29 -40.06 95.19 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.165 -0.96 . . . . 0.0 109.662 -179.702 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 54.8 t -60.65 -40.95 86.33 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.507 0 O-C-N 121.26 -0.9 . . . . 0.0 109.373 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 86.3 mtp -65.35 -40.03 93.1 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.35 -0.844 . . . . 0.0 110.058 -179.351 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 88.8 tt0 -62.81 -42.91 99.92 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.167 -0.958 . . . . 0.0 109.703 -179.562 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 94.7 m -64.35 -50.16 68.85 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.155 -0.966 . . . . 0.0 109.744 -179.645 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 61.5 tp -63.09 -49.8 73.04 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.304 -0.872 . . . . 0.0 110.124 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 96.3 m-20 -80.49 108.95 14.55 Favored 'General case' 0 C--N 1.302 -1.475 0 O-C-N 121.397 -0.814 . . . . 0.0 109.97 -178.562 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 81.1 tt0 -67.93 -40.01 83.39 Favored 'General case' 0 N--CA 1.486 1.366 0 O-C-N 121.281 -0.887 . . . . 0.0 108.646 179.034 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 63' ' ' ASP . . . . . 0.432 ' OD1' ' N ' ' A' ' 63' ' ' ASP . 18.3 p-10 -74.14 -50.47 19.26 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.376 -0.828 . . . . 0.0 109.383 179.51 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 82.41 53.51 3.6 Favored Glycine 0 N--CA 1.493 2.439 0 N-CA-C 110.463 -1.055 . . . . 0.0 110.463 179.5 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 39.9 p-10 -80.6 -5.65 57.15 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 120.891 -1.358 . . . . 0.0 109.2 179.626 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 73.45 18.21 79.28 Favored Glycine 0 N--CA 1.493 2.487 0 N-CA-C 110.311 -1.116 . . . . 0.0 110.311 179.197 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 93.3 mt-10 -134.97 149.15 50.17 Favored 'General case' 0 N--CA 1.499 1.999 0 O-C-N 121.256 -1.143 . . . . 0.0 108.864 -179.897 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 3.8 m -109.47 108.05 18.4 Favored 'General case' 0 N--CA 1.5 2.036 0 O-C-N 121.457 -0.777 . . . . 0.0 109.641 -179.912 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 94.3 m-20 -98.57 171.68 7.98 Favored 'General case' 0 N--CA 1.496 1.827 0 O-C-N 121.481 -0.762 . . . . 0.0 109.535 179.645 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 47.8 t80 -59.91 -40.2 88.0 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.328 -0.857 . . . . 0.0 109.195 179.266 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 63.0 tt0 -60.06 -40.75 90.54 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.246 -0.909 . . . . 0.0 109.481 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 72.3 mt-10 -70.04 -35.69 74.48 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.307 -0.871 . . . . 0.0 110.39 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 70.6 t80 -59.96 -42.08 93.3 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.108 -0.995 . . . . 0.0 109.507 -179.527 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 74' ' ' MET . . . . . 0.461 ' SD ' ' O ' ' A' ' 74' ' ' MET . 0.0 OUTLIER -59.97 -39.97 87.48 Favored 'General case' 0 C--N 1.301 -1.543 0 O-C-N 121.218 -0.926 . . . . 0.0 108.549 179.267 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -59.99 -37.25 79.09 Favored 'General case' 0 N--CA 1.494 1.769 0 O-C-N 121.523 -0.736 . . . . 0.0 110.722 -179.754 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 45.2 t80 -60.0 -42.34 94.05 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 120.862 -1.149 . . . . 0.0 110.013 -178.899 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 84.6 t -63.77 -41.83 93.9 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.523 0 O-C-N 121.036 -1.04 . . . . 0.0 109.859 -179.639 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 95.0 p -61.13 -40.04 92.3 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.442 -0.786 . . . . 0.0 110.137 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 32.5 ttp -59.91 -40.03 87.44 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.281 -0.887 . . . . 0.0 110.408 -178.938 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 55.2 t -60.08 -40.63 83.85 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.538 0 O-C-N 121.044 -1.035 . . . . 0.0 109.879 -178.981 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 31.4 p -67.07 -39.93 86.93 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.086 -1.009 . . . . 0.0 110.136 -179.541 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 36.8 p -64.33 -40.06 95.14 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.164 -0.96 . . . . 0.0 110.309 -179.559 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -79.55 -14.17 59.03 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.117 -0.99 . . . . 0.0 109.595 -179.665 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 12.7 t -57.42 156.55 7.74 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.31 -0.869 . . . . 0.0 110.047 -179.662 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 16.9 p-80 -87.96 -145.02 0.14 Allowed 'General case' 0 N--CA 1.494 1.733 0 O-C-N 121.272 -0.892 . . . . 0.0 108.969 179.58 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 53.2 tp10 -130.24 -23.87 2.64 Favored 'General case' 0 N--CA 1.502 2.171 0 O-C-N 120.866 -1.146 . . . . 0.0 110.784 -178.757 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 13.1 m-85 -80.6 68.52 6.84 Favored 'General case' 0 N--CA 1.497 1.916 0 O-C-N 120.755 -1.215 . . . . 0.0 110.471 -179.287 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 2.7 t80 . . . . . 0 N--CA 1.494 1.766 0 O-C-N 121.114 -0.991 . . . . 0.0 109.094 178.847 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 21.7 t . . . . . 0 N--CA 1.498 1.926 0 N-CA-C 108.993 -0.743 . . . . 0.0 108.993 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 81.3 mm-40 -67.96 -38.12 82.4 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.291 -0.881 . . . . 0.0 109.18 179.906 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 5.8 tp -59.95 -43.62 94.91 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.296 -0.877 . . . . 0.0 109.185 -179.698 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 40.5 tt0 -63.65 -40.0 95.76 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 121.303 -0.873 . . . . 0.0 110.185 -179.819 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 3.3 ttmp? -59.99 -41.41 91.98 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.049 -1.032 . . . . 0.0 108.805 -179.632 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 6' ' ' ALA . . . . . 0.481 ' HB1' ' HB1' ' A' ' 6' ' ' ALA . . . -62.1 -40.02 94.45 Favored 'General case' 0 C--N 1.302 -1.463 0 O-C-N 121.365 -0.834 . . . . 0.0 109.441 179.645 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 7' ' ' MET . . . . . . . . . . . . . 92.0 mmm -60.0 -39.98 87.64 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.222 -0.924 . . . . 0.0 109.669 -179.806 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 54.5 t -67.97 -40.1 82.74 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.529 0 O-C-N 121.184 -0.947 . . . . 0.0 109.776 -179.766 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -63.02 -41.15 99.47 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.136 -0.978 . . . . 0.0 110.654 -179.391 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 8.4 mp -60.08 -46.56 89.17 Favored 'General case' 0 N--CA 1.495 1.8 0 O-C-N 120.921 -1.112 . . . . 0.0 109.175 -179.801 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 95.8 mt -65.45 -41.36 90.86 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.541 0 O-C-N 121.178 -0.951 . . . . 0.0 109.598 -179.825 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 12' ' ' ASP . . . . . 0.405 ' C ' ' OD1' ' B' ' 12' ' ' ASP . 23.0 t0 -62.48 -49.38 75.61 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.385 -0.822 . . . . 0.0 111.116 -178.747 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 53.7 t -61.42 -41.11 88.66 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.675 0 O-C-N 121.155 -0.965 . . . . 0.0 110.356 -178.45 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 14' ' ' PHE . . . . . 0.405 ' CD1' ' C ' ' B' ' 14' ' ' PHE . 29.4 t80 -59.93 -51.57 69.14 Favored 'General case' 0 N--CA 1.494 1.743 0 O-C-N 121.32 -0.863 . . . . 0.0 111.761 -178.684 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 12.8 t-80 -82.6 -36.1 26.45 Favored 'General case' 0 N--CA 1.497 1.892 0 O-C-N 121.007 -1.058 . . . . 0.0 112.58 -177.885 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 66.5 tt0 -60.01 -54.44 46.05 Favored 'General case' 0 N--CA 1.494 1.763 0 O-C-N 120.871 -1.143 . . . . 0.0 112.994 -176.252 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 17' ' ' TYR . . . . . 0.495 ' CD1' ' O ' ' B' ' 17' ' ' TYR . 8.7 t80 -82.12 -20.67 37.57 Favored 'General case' 0 N--CA 1.501 2.107 0 O-C-N 120.747 -1.221 . . . . 0.0 112.604 -176.861 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 18' ' ' SER . . . . . 0.402 ' O ' ' O ' ' B' ' 23' ' ' ASP . 38.3 t -66.37 -44.45 83.13 Favored 'General case' 0 N--CA 1.498 1.942 0 O-C-N 120.81 -1.182 . . . . 0.0 113.037 -177.61 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -80.92 -12.16 82.99 Favored Glycine 0 N--CA 1.499 2.863 0 O-C-N 120.494 -1.378 . . . . 0.0 112.472 -177.257 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 28.8 mmt180 -60.37 -50.02 75.26 Favored 'General case' 0 N--CA 1.496 1.866 0 O-C-N 120.532 -1.569 . . . . 0.0 110.469 -178.584 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 84.9 tt0 -172.6 -18.3 0.01 OUTLIER 'General case' 0 N--CA 1.494 1.764 0 O-C-N 121.138 -0.976 . . . . 0.0 109.686 -179.421 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . -57.12 -49.76 69.55 Favored Glycine 0 N--CA 1.491 2.366 0 N-CA-C 110.057 -1.217 . . . . 0.0 110.057 -179.458 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 23' ' ' ASP . . . . . 0.477 ' OD1' ' N ' ' B' ' 24' ' ' LYS . 9.5 t70 -163.24 168.12 21.05 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.123 -1.222 . . . . 0.0 109.608 -179.922 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 24' ' ' LYS . . . . . 0.477 ' N ' ' OD1' ' B' ' 23' ' ' ASP . 17.1 ttmm -84.85 99.99 11.27 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.285 -0.885 . . . . 0.0 111.046 -178.889 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 25' ' ' HIS . . . . . . . . . . . . . 9.3 t60 39.55 26.99 0.02 OUTLIER 'General case' 0 N--CA 1.495 1.796 0 O-C-N 121.744 -0.598 . . . . 0.0 111.78 177.967 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 26' ' ' LYS . . . . . 0.43 ' N ' ' O ' ' B' ' 24' ' ' LYS . 86.1 mttt -146.28 160.84 41.46 Favored 'General case' 0 N--CA 1.5 2.058 0 O-C-N 120.665 -1.272 . . . . 0.0 108.93 178.88 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 2.0 mm? -104.75 130.43 52.82 Favored 'General case' 0 N--CA 1.498 1.97 0 O-C-N 121.149 -0.969 . . . . 0.0 109.596 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 33.9 mmtt -124.04 161.11 26.2 Favored 'General case' 0 N--CA 1.497 1.884 0 N-CA-C 108.208 -1.034 . . . . 0.0 108.208 179.155 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -49.96 -24.64 2.69 Favored 'General case' 0 N--CA 1.493 1.675 0 O-C-N 121.096 -1.003 . . . . 0.0 110.323 -179.585 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 52.4 p -64.78 -41.8 95.56 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 120.897 -1.127 . . . . 0.0 110.987 -179.204 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 34.4 mt-10 -68.28 -35.47 77.92 Favored 'General case' 0 N--CA 1.496 1.847 0 O-C-N 121.024 -1.048 . . . . 0.0 110.636 -179.332 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 32' ' ' LEU . . . . . 0.524 ' N ' HD12 ' B' ' 32' ' ' LEU . 10.8 mp -59.91 -41.49 91.79 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 120.823 -1.173 . . . . 0.0 109.263 -179.202 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 86.4 tttt -59.99 -42.57 94.5 Favored 'General case' 0 C--N 1.302 -1.489 0 O-C-N 120.987 -1.07 . . . . 0.0 109.07 179.503 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 34' ' ' GLU . . . . . 0.455 ' OE1' ' ND2' ' B' ' 38' ' ' ASN . 1.9 mm-40 -65.46 -51.48 59.84 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.214 -0.928 . . . . 0.0 109.655 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 61.3 mt -60.58 -46.66 89.42 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.014 -1.054 . . . . 0.0 109.393 -179.707 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 36' ' ' ILE . . . . . 0.51 ' O ' ' O ' ' B' ' 40' ' ' LEU . 97.0 mt -62.61 -39.37 84.35 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.499 0 O-C-N 121.437 -0.79 . . . . 0.0 109.782 -179.83 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 57.4 t-20 -76.16 -57.14 4.04 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 120.941 -1.099 . . . . 0.0 111.753 -178.52 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 38' ' ' ASN . . . . . 0.455 ' ND2' ' OE1' ' B' ' 34' ' ' GLU . 98.6 m-20 -79.94 -69.41 0.59 Allowed 'General case' 0 N--CA 1.496 1.848 0 O-C-N 120.947 -1.096 . . . . 0.0 112.731 -177.699 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 31.5 tt0 -57.34 -84.5 0.01 OUTLIER 'General case' 0 N--CA 1.497 1.902 0 O-C-N 121.029 -1.045 . . . . 0.0 111.165 -176.946 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 40' ' ' LEU . . . . . 0.51 ' O ' ' O ' ' B' ' 36' ' ' ILE . 4.0 mm? -71.26 147.56 48.05 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 120.792 -1.193 . . . . 0.0 108.651 -179.835 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 5.5 t -166.75 -18.6 0.02 OUTLIER 'General case' 0 C--N 1.3 -1.562 0 O-C-N 121.148 -0.97 . . . . 0.0 109.923 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 42' ' ' HIS . . . . . . . . . . . . . 60.1 t-80 -75.45 -57.65 3.76 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.155 -0.966 . . . . 0.0 111.0 -178.991 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 72.1 m-85 -69.91 -42.16 73.72 Favored 'General case' 0 N--CA 1.494 1.749 0 O-C-N 121.226 -0.921 . . . . 0.0 111.234 -178.199 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 33.2 mt -121.53 132.5 54.74 Favored 'General case' 0 N--CA 1.504 2.227 0 O-C-N 121.424 -0.798 . . . . 0.0 109.555 -179.219 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 60.3 tt0 -162.19 23.27 0.11 Allowed 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.136 -0.977 . . . . 0.0 109.474 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 69.4 mm-40 -102.28 14.04 33.02 Favored 'General case' 0 N--CA 1.498 1.935 0 O-C-N 121.184 -0.947 . . . . 0.0 110.595 -179.339 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 29.5 mm -68.54 96.97 0.39 Allowed 'Isoleucine or valine' 0 N--CA 1.488 1.462 0 O-C-N 120.554 -1.341 . . . . 0.0 108.95 -179.662 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 68.7 mttm -117.05 -28.22 6.3 Favored 'General case' 0 N--CA 1.497 1.907 0 N-CA-C 109.007 -0.738 . . . . 0.0 109.007 179.666 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -129.97 150.05 51.42 Favored 'General case' 0 N--CA 1.498 1.934 0 O-C-N 121.588 -0.695 . . . . 0.0 109.82 -179.219 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 50' ' ' GLN . . . . . 0.491 ' N ' ' CD ' ' B' ' 50' ' ' GLN . 15.0 mp0 -69.99 -25.36 63.57 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.506 -0.747 . . . . 0.0 109.319 179.53 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 71.2 mm-40 -60.03 -40.01 87.86 Favored 'General case' 0 C--N 1.303 -1.42 0 O-C-N 121.32 -0.863 . . . . 0.0 109.272 -179.298 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 54.2 t -65.91 -40.9 88.79 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.503 0 O-C-N 121.091 -1.005 . . . . 0.0 109.114 179.566 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 67.2 t -60.96 -44.44 98.09 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.48 0 O-C-N 121.215 -0.928 . . . . 0.0 109.472 -179.656 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 54' ' ' ASP . . . . . 0.404 ' C ' ' OD1' ' B' ' 54' ' ' ASP . 12.5 t0 -60.05 -43.7 95.18 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.182 -0.949 . . . . 0.0 109.421 -179.813 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 60.6 mttp -63.96 -40.02 95.46 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.051 -1.031 . . . . 0.0 109.78 -179.694 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 54.2 t -60.66 -40.5 84.92 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.525 0 O-C-N 121.239 -0.913 . . . . 0.0 109.376 -179.898 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 57' ' ' MET . . . . . . . . . . . . . 81.5 mtp -65.64 -40.21 92.25 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.376 -0.827 . . . . 0.0 110.004 -179.328 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -62.29 -43.52 98.63 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.152 -0.967 . . . . 0.0 109.755 -179.699 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 96.7 m -63.82 -50.1 70.23 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.281 -0.887 . . . . 0.0 109.92 -179.747 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 64.1 tp -63.16 -49.72 73.23 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.357 -0.839 . . . . 0.0 110.159 179.881 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 96.1 m-20 -80.56 108.53 14.28 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.38 -0.825 . . . . 0.0 110.112 -178.454 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 82.6 tt0 -67.67 -39.94 84.5 Favored 'General case' 0 C--N 1.301 -1.508 0 N-CA-C 108.629 -0.878 . . . . 0.0 108.629 179.081 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 63' ' ' ASP . . . . . 0.458 ' N ' ' OD1' ' B' ' 63' ' ' ASP . 18.3 p-10 -74.17 -50.19 20.35 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.46 -0.775 . . . . 0.0 109.416 179.544 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 82.34 53.0 3.78 Favored Glycine 0 N--CA 1.492 2.411 0 C-N-CA 120.154 -1.022 . . . . 0.0 110.633 179.514 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 39.1 p-10 -80.34 -5.72 56.83 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 120.952 -1.322 . . . . 0.0 109.282 179.603 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 73.06 18.91 79.41 Favored Glycine 0 N--CA 1.494 2.537 0 N-CA-C 110.28 -1.128 . . . . 0.0 110.28 179.215 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 93.1 mt-10 -135.32 148.82 49.59 Favored 'General case' 0 N--CA 1.498 1.933 0 O-C-N 121.242 -1.152 . . . . 0.0 108.855 -179.852 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 68' ' ' CYS . . . . . . . . . . . . . 3.7 m -109.12 108.27 18.87 Favored 'General case' 0 N--CA 1.501 2.108 0 O-C-N 121.366 -0.834 . . . . 0.0 109.765 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 95.0 m-20 -98.69 171.76 7.9 Favored 'General case' 0 N--CA 1.496 1.827 0 O-C-N 121.453 -0.78 . . . . 0.0 109.512 179.598 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 50.6 t80 -59.92 -40.38 88.64 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.221 -0.924 . . . . 0.0 109.077 179.389 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 63.0 tt0 -59.97 -40.73 90.12 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.234 -0.916 . . . . 0.0 109.25 -179.853 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 70.7 mt-10 -70.06 -35.93 74.59 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.214 -0.929 . . . . 0.0 110.231 -179.837 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 73' ' ' PHE . . . . . . . . . . . . . 69.3 t80 -60.0 -41.77 92.82 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.026 -1.046 . . . . 0.0 109.616 -179.459 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 74' ' ' MET . . . . . 0.477 ' SD ' ' O ' ' B' ' 74' ' ' MET . 0.0 OUTLIER -60.08 -39.98 87.94 Favored 'General case' 0 C--N 1.302 -1.487 0 O-C-N 121.26 -0.9 . . . . 0.0 108.593 179.382 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -60.09 -37.2 79.24 Favored 'General case' 0 N--CA 1.494 1.751 0 O-C-N 121.613 -0.679 . . . . 0.0 110.657 -179.684 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 44.1 t80 -60.07 -42.23 94.1 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 120.878 -1.139 . . . . 0.0 109.994 -178.968 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 77' ' ' VAL . . . . . . . . . . . . . 90.0 t -63.83 -41.73 93.51 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.55 0 O-C-N 121.021 -1.049 . . . . 0.0 109.808 -179.537 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 78' ' ' SER . . . . . . . . . . . . . 97.3 p -61.55 -39.61 91.71 Favored 'General case' 0 N--CA 1.494 1.754 0 O-C-N 121.305 -0.872 . . . . 0.0 110.184 -179.872 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 79' ' ' MET . . . . . . . . . . . . . 32.1 ttp -60.0 -39.97 87.61 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.386 -0.822 . . . . 0.0 110.159 -178.761 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 68.9 t -60.05 -41.06 85.06 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.655 0 O-C-N 121.069 -1.019 . . . . 0.0 109.803 -179.128 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 27.9 p -66.5 -39.96 88.97 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.144 -0.973 . . . . 0.0 110.239 -179.699 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 36.4 p -64.68 -39.97 94.59 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.18 -0.95 . . . . 0.0 110.27 -179.517 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -79.27 -14.33 59.1 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.097 -1.002 . . . . 0.0 109.657 -179.696 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 84' ' ' CYS . . . . . . . . . . . . . 11.9 t -57.35 156.63 7.45 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.28 -0.888 . . . . 0.0 110.085 -179.561 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 85' ' ' HIS . . . . . . . . . . . . . 16.1 p-80 -88.04 -145.09 0.14 Allowed 'General case' 0 N--CA 1.492 1.653 0 N-CA-C 108.865 -0.791 . . . . 0.0 108.865 179.535 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 53.2 tp10 -130.06 -24.17 2.66 Favored 'General case' 0 N--CA 1.503 2.195 0 O-C-N 120.907 -1.121 . . . . 0.0 110.712 -178.865 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 87' ' ' PHE . . . . . . . . . . . . . 12.9 m-85 -80.37 68.43 6.54 Favored 'General case' 0 N--CA 1.496 1.874 0 O-C-N 120.726 -1.234 . . . . 0.0 110.453 -179.127 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 2.8 t80 . . . . . 0 N--CA 1.495 1.78 0 O-C-N 121.119 -0.988 . . . . 0.0 109.13 178.701 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 5.2 t . . . . . 0 N--CA 1.492 1.637 0 CA-C-O 121.423 0.63 . . . . 0.0 109.427 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 87.0 tt0 -60.54 -39.93 89.68 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.4 -0.812 . . . . 0.0 110.04 -179.88 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 3' ' ' LEU . . . . . 0.535 ' O ' HD23 ' A' ' 3' ' ' LEU . 4.5 tt -55.73 -51.33 67.72 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.148 -0.97 . . . . 0.0 109.19 -178.972 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 85.0 tt0 -59.94 -43.93 94.68 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 120.914 -1.116 . . . . 0.0 109.031 179.212 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 58.2 tttp -61.37 -39.94 92.5 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.453 -0.78 . . . . 0.0 109.761 179.63 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -59.96 -42.62 94.47 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.236 -0.915 . . . . 0.0 110.251 -178.446 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 50.8 mtm -62.37 -40.05 95.16 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 120.732 -1.23 . . . . 0.0 109.162 179.477 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 61.6 t -68.55 -40.04 81.41 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.505 0 O-C-N 121.253 -0.904 . . . . 0.0 108.671 179.642 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -62.15 -39.95 94.36 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.516 -0.74 . . . . 0.0 110.09 -179.903 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.415 HD13 ' O ' ' A' ' 10' ' ' LEU . 0.1 OUTLIER -60.03 -43.54 95.23 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.081 -1.012 . . . . 0.0 108.925 -179.195 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 96.6 mt -69.48 -40.91 80.34 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.61 0 O-C-N 121.021 -1.049 . . . . 0.0 109.548 179.783 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 12' ' ' ASP . . . . . 0.403 ' OD1' ' C ' ' A' ' 12' ' ' ASP . 51.6 t0 -64.86 -50.03 68.23 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.195 -0.941 . . . . 0.0 110.427 -179.56 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 54.0 t -62.28 -40.66 88.61 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.488 0 O-C-N 121.108 -0.995 . . . . 0.0 109.776 -178.908 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' PHE . . . . . 0.414 ' O ' ' OG ' ' A' ' 18' ' ' SER . 64.6 t80 -60.05 -42.92 95.49 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.202 -0.936 . . . . 0.0 110.124 -179.655 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 2.3 t60 -60.04 -50.01 75.39 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.122 -0.986 . . . . 0.0 110.484 -178.931 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 81.7 mt-30 -67.16 -40.09 86.58 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 120.963 -1.086 . . . . 0.0 108.975 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 27.1 t80 -69.04 -32.54 72.11 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.448 -0.782 . . . . 0.0 109.664 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' SER . . . . . 0.414 ' OG ' ' O ' ' A' ' 14' ' ' PHE . 52.8 m -60.0 -46.24 90.13 Favored 'General case' 0 C--N 1.3 -1.573 0 O-C-N 120.5 -1.375 . . . . 0.0 109.891 -179.582 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -83.59 20.28 12.08 Favored Glycine 0 N--CA 1.497 2.743 0 O-C-N 121.288 -0.883 . . . . 0.0 111.775 -179.106 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.01 -39.94 87.53 Favored 'General case' 0 N--CA 1.499 2.01 0 O-C-N 120.388 -1.654 . . . . 0.0 110.189 -178.898 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 6.6 tt0 -120.11 -158.6 0.75 Allowed 'General case' 0 N--CA 1.504 2.258 0 O-C-N 121.205 -0.934 . . . . 0.0 109.892 -179.245 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -60.03 -39.55 95.85 Favored Glycine 0 N--CA 1.493 2.439 0 N-CA-C 110.85 -0.9 . . . . 0.0 110.85 -179.032 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' ASP . . . . . 0.516 ' N ' ' OD1' ' A' ' 23' ' ' ASP . 18.2 p-10 -54.12 138.49 37.78 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 120.951 -1.323 . . . . 0.0 110.013 -179.174 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 87.1 tttt -89.96 -80.0 0.33 Allowed 'General case' 0 N--CA 1.495 1.818 0 O-C-N 121.647 -0.658 . . . . 0.0 111.446 -178.93 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 17.7 p80 -105.6 26.22 9.79 Favored 'General case' 0 N--CA 1.502 2.138 0 O-C-N 121.453 -0.779 . . . . 0.0 110.812 -178.183 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 15.7 ptmt -136.87 153.72 50.68 Favored 'General case' 0 N--CA 1.498 1.941 0 N-CA-C 108.16 -1.052 . . . . 0.0 108.16 179.094 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 83.6 mt -104.18 136.73 43.24 Favored 'General case' 0 N--CA 1.498 1.97 0 O-C-N 121.175 -0.953 . . . . 0.0 110.19 -178.469 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 31.6 ttmt -92.84 163.45 13.71 Favored 'General case' 0 N--CA 1.492 1.634 0 N-CA-C 108.661 -0.866 . . . . 0.0 108.661 179.747 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 66.9 mttm -59.96 -41.49 92.04 Favored 'General case' 0 C--N 1.302 -1.483 0 O-C-N 120.966 -1.084 . . . . 0.0 109.838 -179.422 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 69.1 m -60.88 -40.59 93.58 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.237 -0.914 . . . . 0.0 110.739 -179.28 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 31' ' ' GLU . . . . . 0.432 ' OE1' ' OD2' ' A' ' 23' ' ' ASP . 97.8 mt-10 -60.06 -40.08 88.26 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.084 -1.01 . . . . 0.0 110.274 -179.589 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 41.0 tp -59.92 -48.61 81.01 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 120.981 -1.074 . . . . 0.0 108.476 -179.447 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -59.96 -43.37 95.09 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.256 -0.902 . . . . 0.0 109.393 179.623 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 80.6 tt0 -63.27 -40.03 96.25 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.326 -0.859 . . . . 0.0 109.757 -179.613 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 28.3 tp -60.02 -43.2 95.43 Favored 'General case' 0 N--CA 1.489 1.501 0 N-CA-C 108.461 -0.94 . . . . 0.0 108.461 -179.601 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 94.7 mt -62.04 -44.69 99.3 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.554 0 O-C-N 121.319 -0.863 . . . . 0.0 109.64 179.603 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 37' ' ' ASN . . . . . 0.408 ' O ' ' C ' ' A' ' 38' ' ' ASN . 26.1 m120 -60.04 -40.07 88.11 Favored 'General case' 0 N--CA 1.495 1.776 0 O-C-N 121.403 -0.811 . . . . 0.0 111.257 -179.098 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 38' ' ' ASN . . . . . 0.408 ' C ' ' O ' ' A' ' 37' ' ' ASN . 18.9 m120 -41.86 -81.66 0.01 OUTLIER 'General case' 0 N--CA 1.498 1.96 0 O-C-N 121.21 -0.931 . . . . 0.0 110.766 -178.403 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 89.8 mt-10 -143.97 -1.28 0.98 Allowed 'General case' 0 N--CA 1.499 1.988 0 O-C-N 120.97 -1.081 . . . . 0.0 110.039 -179.666 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 10.5 mp -85.65 -6.63 59.12 Favored 'General case' 0 N--CA 1.494 1.755 0 O-C-N 120.976 -1.078 . . . . 0.0 108.992 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 41' ' ' SER . . . . . 0.447 ' O ' ' O ' ' A' ' 44' ' ' LEU . 77.8 p -66.85 -40.0 87.76 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.201 -0.937 . . . . 0.0 109.415 179.478 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 68.3 m80 -62.22 -40.35 95.84 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.035 -1.041 . . . . 0.0 109.804 -179.777 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 29.9 t80 -70.0 -39.9 75.6 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.214 -0.929 . . . . 0.0 109.977 -179.628 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.447 ' O ' ' O ' ' A' ' 41' ' ' SER . 31.4 mt -99.5 132.73 44.64 Favored 'General case' 0 N--CA 1.499 1.982 0 O-C-N 121.258 -0.901 . . . . 0.0 110.17 -179.084 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 45' ' ' GLU . . . . . 0.408 ' HG2' ' H ' ' A' ' 46' ' ' GLU . 45.0 tt0 -89.53 -137.18 0.12 Allowed 'General case' 0 N--CA 1.491 1.593 0 N-CA-C 108.401 -0.963 . . . . 0.0 108.401 179.363 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 46' ' ' GLU . . . . . 0.408 ' H ' ' HG2' ' A' ' 45' ' ' GLU . 97.9 mt-10 46.05 -137.33 0.64 Allowed 'General case' 0 N--CA 1.493 1.706 0 O-C-N 120.957 -1.09 . . . . 0.0 109.967 179.279 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.407 ' C ' ' O ' ' A' ' 46' ' ' GLU . 23.8 mm 41.01 60.02 0.2 Allowed 'Isoleucine or valine' 0 N--CA 1.498 1.93 0 O-C-N 121.451 -0.78 . . . . 0.0 110.187 -179.672 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 9.8 mtpm? -102.47 -18.73 15.2 Favored 'General case' 0 N--CA 1.496 1.867 0 O-C-N 121.171 -0.956 . . . . 0.0 110.533 -179.808 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 74.1 mt-10 -137.76 159.13 42.83 Favored 'General case' 0 N--CA 1.503 2.186 0 O-C-N 121.048 -1.032 . . . . 0.0 110.819 -178.979 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 35.8 mt-30 -66.58 -40.02 88.72 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.751 -0.593 . . . . 0.0 110.284 -179.88 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 63.4 mm-40 -60.0 -39.42 85.71 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.43 -0.794 . . . . 0.0 110.036 -179.575 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.513 ' O ' HG23 ' A' ' 56' ' ' VAL . 53.1 t -59.95 -40.04 81.86 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.594 0 O-C-N 121.273 -0.892 . . . . 0.0 110.248 -178.322 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 58.2 t -60.68 -42.98 93.94 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.526 0 O-C-N 120.734 -1.229 . . . . 0.0 109.998 -179.71 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 98.4 m-20 -65.47 -41.7 93.04 Favored 'General case' 0 N--CA 1.495 1.811 0 O-C-N 120.944 -1.097 . . . . 0.0 110.849 -179.081 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 1.4 mptm? -69.35 -40.0 77.78 Favored 'General case' 0 N--CA 1.494 1.767 0 O-C-N 121.039 -1.038 . . . . 0.0 110.302 -179.44 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.513 HG23 ' O ' ' A' ' 52' ' ' VAL . 53.8 t -59.95 -42.61 90.04 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.617 0 O-C-N 121.127 -0.983 . . . . 0.0 110.864 -178.002 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 96.6 mtp -60.07 -42.44 94.56 Favored 'General case' 0 C--N 1.3 -1.562 0 O-C-N 120.861 -1.149 . . . . 0.0 110.357 -178.663 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 47.3 tt0 -63.96 -45.32 89.65 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 120.756 -1.215 . . . . 0.0 110.371 -179.524 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 94.2 m -69.38 -45.81 68.41 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 120.92 -1.113 . . . . 0.0 110.164 -179.34 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 3.8 tp -70.27 -35.93 74.09 Favored 'General case' 0 C--N 1.3 -1.564 0 O-C-N 121.304 -0.873 . . . . 0.0 110.33 -178.904 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 61' ' ' ASP . . . . . 0.497 ' CG ' ' H ' ' A' ' 64' ' ' GLY . 56.6 t0 -69.57 120.59 15.59 Favored 'General case' 0 N--CA 1.495 1.793 0 O-C-N 121.106 -0.996 . . . . 0.0 109.572 -179.268 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 76.6 mm-40 -67.75 -40.02 84.13 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.454 -0.779 . . . . 0.0 110.389 -179.357 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 63' ' ' ASP . . . . . 0.435 ' OD1' ' OD1' ' A' ' 61' ' ' ASP . 9.9 p-10 -95.6 -16.63 21.97 Favored 'General case' 0 N--CA 1.499 2.011 0 O-C-N 120.914 -1.116 . . . . 0.0 110.615 -179.298 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 64' ' ' GLY . . . . . 0.497 ' H ' ' CG ' ' A' ' 61' ' ' ASP . . . 46.91 57.3 6.96 Favored Glycine 0 N--CA 1.493 2.479 0 N-CA-C 109.791 -1.324 . . . . 0.0 109.791 179.63 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 65' ' ' ASP . . . . . 0.448 ' OD1' ' O ' ' A' ' 67' ' ' GLU . 34.6 p-10 -89.96 -0.84 57.8 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.167 -1.196 . . . . 0.0 109.734 -179.697 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 89.01 -8.7 79.22 Favored Glycine 0 N--CA 1.494 2.566 0 N-CA-C 109.517 -1.433 . . . . 0.0 109.517 179.796 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 67' ' ' GLU . . . . . 0.448 ' O ' ' OD1' ' A' ' 65' ' ' ASP . 31.3 mp0 -132.79 139.48 47.55 Favored 'General case' 0 N--CA 1.496 1.845 0 O-C-N 121.434 -1.039 . . . . 0.0 108.509 179.758 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 10.8 t -92.77 112.57 24.57 Favored 'General case' 0 N--CA 1.494 1.761 0 O-C-N 120.906 -1.122 . . . . 0.0 109.093 179.645 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 92.3 m-20 -88.24 169.66 11.67 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.467 -0.771 . . . . 0.0 109.283 -179.769 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 52.6 t80 -59.96 -42.42 94.06 Favored 'General case' 0 N--CA 1.487 1.418 0 O-C-N 121.186 -0.946 . . . . 0.0 108.696 -179.738 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 60.0 tt0 -59.95 -43.93 94.71 Favored 'General case' 0 N--CA 1.489 1.488 0 N-CA-C 108.284 -1.006 . . . . 0.0 108.284 179.047 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 72' ' ' GLU . . . . . 0.43 ' OE2' ' OD2' ' A' ' 63' ' ' ASP . 67.7 mt-10 -66.76 -39.76 88.0 Favored 'General case' 0 N--CA 1.489 1.49 0 N-CA-C 108.584 -0.895 . . . . 0.0 108.584 179.267 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 64.2 t80 -60.11 -38.98 84.62 Favored 'General case' 0 N--CA 1.487 1.378 0 N-CA-C 108.426 -0.953 . . . . 0.0 108.426 179.816 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -59.94 -39.95 87.3 Favored 'General case' 0 N--CA 1.488 1.43 0 N-CA-C 108.05 -1.093 . . . . 0.0 108.05 179.765 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -61.51 -36.9 81.82 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.325 -0.859 . . . . 0.0 108.935 178.725 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 27.4 t80 -60.04 -49.15 78.78 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.688 -0.633 . . . . 0.0 109.965 -179.038 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 58.4 t -69.8 -41.63 79.86 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.616 0 O-C-N 120.906 -1.122 . . . . 0.0 110.386 -179.206 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 47.5 t -63.14 -50.64 69.63 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 120.986 -1.071 . . . . 0.0 110.89 -178.841 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 22.5 ttt -61.18 -42.21 98.17 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 120.957 -1.089 . . . . 0.0 109.947 -179.306 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 42.7 t -65.96 -49.11 79.12 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.587 0 O-C-N 121.312 -0.867 . . . . 0.0 110.17 -179.846 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 93.8 m -67.14 -46.69 73.32 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.144 -0.972 . . . . 0.0 110.263 -179.136 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 94.4 m -64.51 -39.92 94.68 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.287 -0.883 . . . . 0.0 109.807 -179.741 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 83' ' ' ALA . . . . . 0.542 ' O ' ' ND1' ' A' ' 85' ' ' HIS . . . -57.69 -22.23 44.92 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.374 -0.829 . . . . 0.0 110.992 -178.872 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 84' ' ' CYS . . . . . 0.567 ' O ' ' CG ' ' A' ' 85' ' ' HIS . 12.8 p -71.51 -41.83 68.76 Favored 'General case' 0 N--CA 1.494 1.746 0 O-C-N 120.816 -1.177 . . . . 0.0 109.878 -179.696 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 85' ' ' HIS . . . . . 0.567 ' CG ' ' O ' ' A' ' 84' ' ' CYS . 41.4 p-80 44.73 -176.26 0.01 OUTLIER 'General case' 0 N--CA 1.499 2.019 0 CA-C-O 121.498 0.666 . . . . 0.0 110.621 -179.561 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 86' ' ' GLU . . . . . 0.451 ' O ' ' O ' ' A' ' 85' ' ' HIS . 49.8 mm-40 43.27 -168.29 0.01 OUTLIER 'General case' 0 N--CA 1.496 1.837 0 O-C-N 121.447 -0.783 . . . . 0.0 110.171 -179.627 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 7.4 m-85 -99.97 129.82 46.07 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.433 -0.792 . . . . 0.0 109.157 -179.825 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 46.5 t80 . . . . . 0 N--CA 1.493 1.705 0 O-C-N 121.073 -1.017 . . . . 0.0 109.122 179.814 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 6.6 t . . . . . 0 N--CA 1.493 1.676 0 N-CA-C 109.347 -0.612 . . . . 0.0 109.347 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 87.5 tt0 -60.52 -39.94 89.68 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.425 -0.797 . . . . 0.0 110.046 -179.912 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 3' ' ' LEU . . . . . 0.503 ' O ' HD23 ' B' ' 3' ' ' LEU . 4.4 tt -55.49 -51.94 65.33 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.113 -0.992 . . . . 0.0 109.164 -179.1 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 85.8 tt0 -59.96 -43.65 94.92 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.016 -1.053 . . . . 0.0 108.953 179.512 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 59.4 tttp -61.37 -39.96 92.56 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.378 -0.827 . . . . 0.0 109.755 179.438 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -60.0 -42.12 93.56 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.221 -0.925 . . . . 0.0 110.307 -178.413 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 7' ' ' MET . . . . . . . . . . . . . 47.4 mtm -62.81 -40.11 96.37 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 120.777 -1.202 . . . . 0.0 109.097 179.678 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 56.2 t -68.32 -40.01 81.84 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.507 0 O-C-N 121.21 -0.931 . . . . 0.0 108.727 179.571 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.92 -39.98 93.91 Favored 'General case' 0 C--N 1.303 -1.434 0 O-C-N 121.576 -0.702 . . . . 0.0 110.21 179.888 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 10' ' ' LEU . . . . . 0.422 HD13 ' O ' ' B' ' 10' ' ' LEU . 0.2 OUTLIER -60.05 -44.23 94.84 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.164 -0.96 . . . . 0.0 108.784 -179.018 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 96.5 mt -68.79 -41.21 82.21 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.553 0 O-C-N 121.16 -0.962 . . . . 0.0 109.705 179.894 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 12' ' ' ASP . . . . . 0.418 ' C ' ' OD1' ' B' ' 12' ' ' ASP . 51.4 t0 -64.94 -50.02 68.08 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.23 -0.919 . . . . 0.0 110.379 -179.458 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 53.5 t -62.07 -40.77 88.63 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.505 0 O-C-N 121.14 -0.975 . . . . 0.0 109.72 -179.002 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 14' ' ' PHE . . . . . . . . . . . . . 64.7 t80 -60.01 -43.18 95.4 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.219 -0.926 . . . . 0.0 110.166 -179.642 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 2.4 t60 -59.95 -50.03 75.36 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.046 -1.034 . . . . 0.0 110.459 -178.912 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 81.8 mt-30 -67.11 -39.96 86.79 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 120.843 -1.16 . . . . 0.0 108.869 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 27.1 t80 -69.06 -32.51 72.03 Favored 'General case' 0 N--CA 1.488 1.445 0 O-C-N 121.526 -0.734 . . . . 0.0 109.72 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 48.3 m -60.18 -46.2 90.5 Favored 'General case' 0 C--N 1.3 -1.566 0 O-C-N 120.459 -1.4 . . . . 0.0 109.746 -179.555 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -83.43 20.31 11.47 Favored Glycine 0 N--CA 1.497 2.766 0 O-C-N 121.312 -0.867 . . . . 0.0 111.824 -179.068 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.03 -40.04 87.99 Favored 'General case' 0 N--CA 1.5 2.037 0 O-C-N 120.411 -1.641 . . . . 0.0 110.18 -178.965 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 6.4 tt0 -120.02 -158.67 0.75 Allowed 'General case' 0 N--CA 1.505 2.297 0 O-C-N 121.34 -0.85 . . . . 0.0 109.844 -179.267 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . -59.96 -39.72 95.98 Favored Glycine 0 N--CA 1.492 2.374 0 N-CA-C 110.848 -0.901 . . . . 0.0 110.848 -179.048 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 23' ' ' ASP . . . . . 0.533 ' N ' ' OD1' ' B' ' 23' ' ' ASP . 18.1 p-10 -53.91 138.84 35.59 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 120.923 -1.34 . . . . 0.0 109.962 -179.113 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 87.3 tttt -90.21 -80.04 0.33 Allowed 'General case' 0 N--CA 1.495 1.818 0 O-C-N 121.682 -0.636 . . . . 0.0 111.386 -178.91 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 25' ' ' HIS . . . . . . . . . . . . . 18.1 p80 -105.58 25.91 10.17 Favored 'General case' 0 N--CA 1.502 2.156 0 O-C-N 121.371 -0.83 . . . . 0.0 110.833 -178.092 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 16.1 ptmt -136.64 153.38 50.94 Favored 'General case' 0 N--CA 1.497 1.882 0 N-CA-C 108.195 -1.039 . . . . 0.0 108.195 179.183 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 82.8 mt -103.91 136.92 42.66 Favored 'General case' 0 N--CA 1.499 1.985 0 O-C-N 121.225 -0.922 . . . . 0.0 110.176 -178.462 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 31.7 ttmt -92.92 163.35 13.71 Favored 'General case' 0 N--CA 1.491 1.592 0 N-CA-C 108.666 -0.865 . . . . 0.0 108.666 179.775 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 66.7 mttm -60.04 -41.32 92.0 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.024 -1.047 . . . . 0.0 109.832 -179.598 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 72.0 m -60.88 -40.52 93.34 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.25 -0.906 . . . . 0.0 110.726 -179.299 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 31' ' ' GLU . . . . . 0.428 ' OE1' ' OD2' ' B' ' 23' ' ' ASP . 97.6 mt-10 -60.16 -39.96 88.25 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.097 -1.002 . . . . 0.0 110.337 -179.604 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 42.7 tp -59.97 -48.51 81.4 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.029 -1.045 . . . . 0.0 108.606 -179.576 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 87.9 tttt -60.08 -43.43 95.51 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.256 -0.903 . . . . 0.0 109.403 179.673 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 85.1 tt0 -63.24 -39.93 96.01 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.323 -0.861 . . . . 0.0 109.833 -179.701 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 27.6 tp -60.08 -43.26 95.63 Favored 'General case' 0 N--CA 1.489 1.523 0 N-CA-C 108.462 -0.94 . . . . 0.0 108.462 -179.769 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 89.8 mt -61.98 -44.62 99.17 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.572 0 O-C-N 121.354 -0.841 . . . . 0.0 109.559 179.713 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 37' ' ' ASN . . . . . 0.414 ' O ' ' C ' ' B' ' 38' ' ' ASN . 25.7 m120 -60.06 -39.93 87.71 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 121.519 -0.738 . . . . 0.0 111.325 -179.053 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 38' ' ' ASN . . . . . 0.414 ' C ' ' O ' ' B' ' 37' ' ' ASN . 18.1 m120 -41.96 -81.62 0.01 OUTLIER 'General case' 0 N--CA 1.496 1.842 0 O-C-N 121.212 -0.93 . . . . 0.0 110.828 -178.535 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 89.0 mt-10 -144.13 -1.19 0.96 Allowed 'General case' 0 N--CA 1.499 1.986 0 O-C-N 120.949 -1.094 . . . . 0.0 110.103 -179.737 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 10.3 mp -85.7 -6.76 59.09 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.028 -1.045 . . . . 0.0 108.986 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 41' ' ' SER . . . . . 0.447 ' O ' ' O ' ' B' ' 44' ' ' LEU . 77.3 p -66.78 -40.07 88.04 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.143 -0.973 . . . . 0.0 109.37 179.504 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 42' ' ' HIS . . . . . . . . . . . . . 68.1 m80 -62.06 -40.5 96.01 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.064 -1.023 . . . . 0.0 109.808 -179.709 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 30.5 t80 -70.03 -39.94 75.47 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.158 -0.964 . . . . 0.0 109.978 -179.608 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 44' ' ' LEU . . . . . 0.447 ' O ' ' O ' ' B' ' 41' ' ' SER . 33.3 mt -99.56 132.66 44.75 Favored 'General case' 0 N--CA 1.499 2.013 0 O-C-N 121.205 -0.935 . . . . 0.0 110.189 -179.148 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 44.4 tt0 -89.3 -137.02 0.12 Allowed 'General case' 0 N--CA 1.491 1.596 0 N-CA-C 108.553 -0.906 . . . . 0.0 108.553 179.479 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 46' ' ' GLU . . . . . 0.408 ' O ' ' C ' ' B' ' 47' ' ' ILE . 97.6 mt-10 45.71 -136.97 0.62 Allowed 'General case' 0 N--CA 1.494 1.731 0 O-C-N 121.102 -0.999 . . . . 0.0 110.063 179.29 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 47' ' ' ILE . . . . . 0.408 ' C ' ' O ' ' B' ' 46' ' ' GLU . 23.5 mm 40.96 59.94 0.2 Allowed 'Isoleucine or valine' 0 N--CA 1.499 1.995 0 O-C-N 121.487 -0.758 . . . . 0.0 110.124 -179.732 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 10.0 mtpm? -102.44 -18.67 15.25 Favored 'General case' 0 N--CA 1.496 1.864 0 O-C-N 121.204 -0.935 . . . . 0.0 110.505 -179.684 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 75.4 mt-10 -137.82 159.45 41.95 Favored 'General case' 0 N--CA 1.503 2.221 0 O-C-N 120.997 -1.065 . . . . 0.0 110.779 -179.102 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 35.8 mt-30 -66.71 -40.01 88.27 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.687 -0.633 . . . . 0.0 110.324 -179.78 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 63.6 mm-40 -59.98 -39.51 85.93 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.271 -0.893 . . . . 0.0 110.047 -179.628 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 52' ' ' VAL . . . . . 0.501 ' O ' HG23 ' B' ' 56' ' ' VAL . 54.2 t -59.98 -40.11 82.11 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.627 0 O-C-N 121.28 -0.887 . . . . 0.0 110.239 -178.217 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 53.4 t -60.8 -42.89 94.06 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.532 0 O-C-N 120.729 -1.232 . . . . 0.0 110.038 -179.745 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 98.4 m-20 -65.33 -41.74 93.63 Favored 'General case' 0 N--CA 1.496 1.845 0 O-C-N 120.972 -1.08 . . . . 0.0 110.864 -179.145 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 1.4 mptm? -69.34 -39.94 77.86 Favored 'General case' 0 N--CA 1.495 1.779 0 O-C-N 121.024 -1.047 . . . . 0.0 110.31 -179.437 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 56' ' ' VAL . . . . . 0.501 HG23 ' O ' ' B' ' 52' ' ' VAL . 53.7 t -60.07 -42.64 90.59 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.646 0 O-C-N 121.154 -0.966 . . . . 0.0 110.767 -177.947 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 57' ' ' MET . . . . . . . . . . . . . 96.8 mtp -60.08 -42.25 94.21 Favored 'General case' 0 C--N 1.301 -1.511 0 O-C-N 120.902 -1.124 . . . . 0.0 110.316 -178.598 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 46.6 tt0 -64.14 -45.4 88.67 Favored 'General case' 0 N--CA 1.493 1.675 0 O-C-N 120.758 -1.214 . . . . 0.0 110.311 -179.562 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 94.2 m -69.14 -46.09 68.47 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.053 -1.03 . . . . 0.0 110.142 -179.364 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 3.7 tp -69.92 -36.35 75.29 Favored 'General case' 0 C--N 1.3 -1.546 0 O-C-N 121.322 -0.861 . . . . 0.0 110.297 -178.894 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 61' ' ' ASP . . . . . 0.492 ' CG ' ' H ' ' B' ' 64' ' ' GLY . 57.0 t0 -69.36 120.49 15.25 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 120.979 -1.075 . . . . 0.0 109.67 -179.132 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 76.7 mm-40 -67.69 -39.98 84.38 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.474 -0.766 . . . . 0.0 110.407 -179.326 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 63' ' ' ASP . . . . . 0.431 ' OD1' ' OD1' ' B' ' 61' ' ' ASP . 10.0 p-10 -95.67 -16.56 21.94 Favored 'General case' 0 N--CA 1.5 2.025 0 O-C-N 120.996 -1.065 . . . . 0.0 110.547 -179.168 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 64' ' ' GLY . . . . . 0.492 ' H ' ' CG ' ' B' ' 61' ' ' ASP . . . 46.86 57.28 6.94 Favored Glycine 0 N--CA 1.494 2.528 0 N-CA-C 109.835 -1.306 . . . . 0.0 109.835 179.649 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 65' ' ' ASP . . . . . 0.446 ' OD1' ' O ' ' B' ' 67' ' ' GLU . 34.6 p-10 -89.99 -0.72 57.73 Favored 'General case' 0 N--CA 1.496 1.827 0 O-C-N 121.23 -1.159 . . . . 0.0 109.723 -179.71 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 88.96 -9.07 78.16 Favored Glycine 0 N--CA 1.495 2.61 0 N-CA-C 109.532 -1.427 . . . . 0.0 109.532 179.774 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 67' ' ' GLU . . . . . 0.446 ' O ' ' OD1' ' B' ' 65' ' ' ASP . 31.3 mp0 -132.46 139.64 48.07 Favored 'General case' 0 N--CA 1.496 1.861 0 O-C-N 121.531 -0.981 . . . . 0.0 108.504 179.889 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 68' ' ' CYS . . . . . . . . . . . . . 11.2 t -92.85 112.63 24.66 Favored 'General case' 0 N--CA 1.495 1.797 0 O-C-N 120.893 -1.129 . . . . 0.0 109.05 179.632 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 92.8 m-20 -88.24 169.27 12.02 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.472 -0.767 . . . . 0.0 109.274 -179.747 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 51.3 t80 -60.03 -42.29 94.08 Favored 'General case' 0 N--CA 1.487 1.383 0 O-C-N 121.203 -0.935 . . . . 0.0 108.57 -179.691 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 59.8 tt0 -59.99 -43.77 94.94 Favored 'General case' 0 N--CA 1.49 1.534 0 N-CA-C 108.29 -1.004 . . . . 0.0 108.29 178.965 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 72' ' ' GLU . . . . . 0.426 ' OE2' ' OD2' ' B' ' 63' ' ' ASP . 69.0 mt-10 -66.77 -39.89 88.02 Favored 'General case' 0 N--CA 1.488 1.463 0 N-CA-C 108.608 -0.886 . . . . 0.0 108.608 179.175 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 73' ' ' PHE . . . . . . . . . . . . . 64.1 t80 -59.91 -38.99 83.9 Favored 'General case' 0 N--CA 1.487 1.395 0 N-CA-C 108.396 -0.964 . . . . 0.0 108.396 179.836 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 74' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -60.0 -40.03 87.8 Favored 'General case' 0 C--N 1.303 -1.438 0 N-CA-C 108.033 -1.099 . . . . 0.0 108.033 179.749 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -61.45 -37.03 82.06 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.383 -0.823 . . . . 0.0 109.022 178.748 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 28.2 t80 -60.03 -49.04 79.22 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.511 -0.743 . . . . 0.0 110.044 -179.047 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 77' ' ' VAL . . . . . . . . . . . . . 62.6 t -69.65 -41.63 80.22 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.613 0 O-C-N 120.974 -1.079 . . . . 0.0 110.421 -179.319 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 78' ' ' SER . . . . . . . . . . . . . 48.3 t -63.42 -50.58 69.23 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 120.963 -1.086 . . . . 0.0 110.936 -178.858 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 79' ' ' MET . . . . . . . . . . . . . 22.4 ttt -61.01 -42.33 98.25 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 120.997 -1.064 . . . . 0.0 109.886 -179.399 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 42.6 t -65.94 -48.91 80.23 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.642 0 O-C-N 121.41 -0.806 . . . . 0.0 110.123 -179.768 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 81' ' ' THR . . . . . 0.436 ' O ' ' SG ' ' B' ' 84' ' ' CYS . 93.8 m -67.44 -46.71 72.29 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.109 -0.994 . . . . 0.0 110.115 -178.971 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 94.4 m -64.44 -39.97 94.84 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.147 -0.97 . . . . 0.0 109.865 -179.701 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 83' ' ' ALA . . . . . 0.547 ' O ' ' ND1' ' B' ' 85' ' ' HIS . . . -57.76 -22.04 44.72 Favored 'General case' 0 N--CA 1.494 1.725 0 O-C-N 121.42 -0.8 . . . . 0.0 110.938 -178.804 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 84' ' ' CYS . . . . . 0.575 ' O ' ' CG ' ' B' ' 85' ' ' HIS . 12.6 p -71.67 -41.77 68.31 Favored 'General case' 0 N--CA 1.494 1.767 0 O-C-N 120.809 -1.182 . . . . 0.0 109.794 -179.632 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 85' ' ' HIS . . . . . 0.575 ' CG ' ' O ' ' B' ' 84' ' ' CYS . 41.6 p-80 44.6 -176.23 0.01 OUTLIER 'General case' 0 N--CA 1.498 1.956 0 CA-C-O 121.469 0.652 . . . . 0.0 110.635 -179.576 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 86' ' ' GLU . . . . . 0.442 ' O ' ' O ' ' B' ' 85' ' ' HIS . 49.9 mm-40 43.35 -168.4 0.01 OUTLIER 'General case' 0 N--CA 1.494 1.771 0 O-C-N 121.387 -0.821 . . . . 0.0 110.141 -179.631 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 87' ' ' PHE . . . . . . . . . . . . . 7.1 m-85 -99.93 129.72 46.03 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.422 -0.799 . . . . 0.0 109.218 -179.858 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 45.4 t80 . . . . . 0 N--CA 1.493 1.703 0 O-C-N 121.119 -0.988 . . . . 0.0 109.155 179.877 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 28.5 t . . . . . 0 N--CA 1.487 1.396 0 CA-C-O 121.45 0.643 . . . . 0.0 109.368 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 47.3 mt-10 -61.99 -34.98 77.17 Favored 'General case' 0 N--CA 1.49 1.555 0 N-CA-C 108.915 -0.772 . . . . 0.0 108.915 -179.93 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 3' ' ' LEU . . . . . 0.555 HD13 ' O ' ' A' ' 3' ' ' LEU . 0.3 OUTLIER -60.27 -44.64 95.14 Favored 'General case' 0 N--CA 1.49 1.542 0 N-CA-C 108.11 -1.07 . . . . 0.0 108.11 179.649 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 87.5 tt0 -61.42 -40.03 92.92 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.071 -1.018 . . . . 0.0 109.25 179.289 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 57.6 mmtt -60.17 -39.15 85.42 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.346 -0.846 . . . . 0.0 109.891 179.68 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -59.86 -48.65 80.84 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.245 -0.909 . . . . 0.0 110.02 -178.599 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 95.4 mtp -65.31 -40.35 93.67 Favored 'General case' 0 C--N 1.302 -1.494 0 O-C-N 121.043 -1.036 . . . . 0.0 109.745 -179.585 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 79.2 t -68.24 -49.08 70.33 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.523 0 O-C-N 121.278 -0.889 . . . . 0.0 109.921 -179.7 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -62.39 -41.33 98.58 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.322 -0.861 . . . . 0.0 110.647 -179.267 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 8.7 tt -60.24 -40.62 90.87 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.043 -1.036 . . . . 0.0 109.346 -179.362 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 96.8 mt -67.54 -40.26 83.96 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.482 0 O-C-N 121.285 -0.885 . . . . 0.0 110.113 -179.42 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 97.4 m-20 -65.09 -40.55 94.78 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.002 -1.061 . . . . 0.0 109.727 -179.557 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 57.7 t -67.5 -42.52 87.1 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.902 0 O-C-N 120.915 -1.115 . . . . 0.0 110.43 -179.699 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 74.9 t80 -60.69 -41.66 95.59 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.082 -1.011 . . . . 0.0 109.97 -179.783 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 17.6 m-70 -66.16 -38.45 88.13 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.136 -0.978 . . . . 0.0 110.105 179.653 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 63.3 tt0 -60.12 -55.56 32.4 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.104 -0.997 . . . . 0.0 110.733 -178.376 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 73.7 m-85 -71.51 -39.03 71.05 Favored 'General case' 0 C--N 1.3 -1.584 0 O-C-N 120.821 -1.175 . . . . 0.0 110.799 -179.3 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' SER . . . . . 0.451 ' O ' ' O ' ' A' ' 23' ' ' ASP . 51.7 p -71.35 -42.19 68.82 Favored 'General case' 0 N--CA 1.489 1.475 0 O-C-N 120.962 -1.086 . . . . 0.0 110.468 -178.893 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -67.85 0.92 8.9 Favored Glycine 0 N--CA 1.495 2.625 0 N-CA-C 109.967 -1.253 . . . . 0.0 109.967 -179.523 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' ARG . . . . . 0.49 HH11 ' HG2' ' A' ' 20' ' ' ARG . 7.4 ttt-85 -61.11 -39.59 90.55 Favored 'General case' 0 C--N 1.299 -1.605 0 O-C-N 121.415 -1.05 . . . . 0.0 109.679 179.64 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.476 ' C ' ' H ' ' A' ' 23' ' ' ASP . 37.2 mt-10 -117.9 49.26 1.26 Allowed 'General case' 0 N--CA 1.503 2.21 0 O-C-N 121.601 -0.687 . . . . 0.0 110.655 -178.504 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 59.68 -2.06 0.42 Allowed Glycine 0 N--CA 1.488 2.157 0 C-N-CA 119.674 -1.25 . . . . 0.0 110.363 178.784 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' ASP . . . . . 0.476 ' H ' ' C ' ' A' ' 21' ' ' GLU . 77.7 m-20 -93.63 96.49 9.87 Favored 'General case' 0 N--CA 1.494 1.736 0 O-C-N 120.813 -1.404 . . . . 0.0 108.769 -179.802 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -96.2 -36.23 11.01 Favored 'General case' 0 N--CA 1.494 1.751 0 O-C-N 121.159 -0.963 . . . . 0.0 110.049 -179.506 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 76.7 m80 -99.66 1.18 43.26 Favored 'General case' 0 N--CA 1.498 1.975 0 O-C-N 121.23 -0.919 . . . . 0.0 110.601 -179.112 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -128.23 144.76 51.15 Favored 'General case' 0 N--CA 1.499 1.994 0 O-C-N 121.278 -0.889 . . . . 0.0 109.19 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 44.2 tp -113.25 133.32 55.15 Favored 'General case' 0 N--CA 1.497 1.878 0 N-CA-C 108.263 -1.014 . . . . 0.0 108.263 179.856 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 40.3 tttm -96.2 152.33 18.66 Favored 'General case' 0 N--CA 1.494 1.756 0 O-C-N 121.311 -0.868 . . . . 0.0 110.369 -178.894 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.35 -40.0 89.16 Favored 'General case' 0 N--CA 1.494 1.773 0 CA-C-O 121.361 0.601 . . . . 0.0 110.352 -179.692 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 78.2 p -59.91 -39.94 87.12 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.259 -0.901 . . . . 0.0 109.571 -179.112 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 90.8 mt-10 -67.66 -30.36 69.89 Favored 'General case' 0 N--CA 1.487 1.421 0 O-C-N 121.191 -0.943 . . . . 0.0 109.954 179.741 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.551 ' O ' HD23 ' A' ' 32' ' ' LEU . 3.7 tt -59.87 -50.11 75.05 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 120.947 -1.095 . . . . 0.0 109.612 -179.307 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 8.0 ttpm? -60.21 -41.3 92.71 Favored 'General case' 0 N--CA 1.497 1.878 0 O-C-N 120.437 -1.414 . . . . 0.0 110.139 -179.434 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 80.7 mm-40 -63.04 -39.82 95.87 Favored 'General case' 0 C--N 1.299 -1.628 0 O-C-N 121.048 -1.033 . . . . 0.0 109.87 179.902 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 6.3 tt -60.04 -45.86 91.43 Favored 'General case' 0 N--CA 1.488 1.447 0 O-C-N 121.281 -0.887 . . . . 0.0 109.668 -179.647 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 96.7 mt -60.36 -42.34 90.48 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.524 0 O-C-N 121.376 -0.827 . . . . 0.0 109.549 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 41.4 t30 -60.99 -39.09 88.36 Favored 'General case' 0 N--CA 1.496 1.859 0 O-C-N 121.453 -0.779 . . . . 0.0 110.145 179.492 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 12.6 t-20 -43.78 -90.74 0.0 OUTLIER 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.219 -0.926 . . . . 0.0 110.721 -178.807 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 8.5 mp0 -144.21 43.87 1.43 Allowed 'General case' 0 N--CA 1.5 2.048 0 O-C-N 120.845 -1.159 . . . . 0.0 109.945 -179.503 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 3.4 tp -130.75 10.67 5.13 Favored 'General case' 0 N--CA 1.505 2.301 0 O-C-N 120.905 -1.122 . . . . 0.0 109.605 -179.584 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 41' ' ' SER . . . . . 0.476 ' O ' ' O ' ' A' ' 44' ' ' LEU . 71.0 m -70.06 -27.02 64.29 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.389 -0.819 . . . . 0.0 109.402 179.836 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 72.4 m80 -61.36 -39.72 91.67 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 120.908 -1.12 . . . . 0.0 109.583 -179.827 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 81.4 m-85 -69.79 -36.93 76.12 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.163 -0.961 . . . . 0.0 110.515 -179.396 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.476 ' O ' ' O ' ' A' ' 41' ' ' SER . 6.7 mp -105.22 138.65 41.09 Favored 'General case' 0 N--CA 1.506 2.353 0 O-C-N 121.006 -1.059 . . . . 0.0 109.833 -179.879 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 88.3 tt0 -143.16 75.51 1.48 Allowed 'General case' 0 N--CA 1.498 1.945 0 O-C-N 121.19 -0.944 . . . . 0.0 108.823 179.102 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -172.81 0.12 0.01 OUTLIER 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.139 -0.976 . . . . 0.0 109.341 -179.685 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 86.2 mt -95.7 122.23 46.99 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.063 0 O-C-N 121.295 -0.878 . . . . 0.0 110.104 -179.602 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 54.0 mttm -127.91 -63.22 1.03 Allowed 'General case' 0 N--CA 1.504 2.252 0 O-C-N 121.426 -0.796 . . . . 0.0 109.989 179.677 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 49.0 tp10 -95.43 153.68 17.57 Favored 'General case' 0 N--CA 1.495 1.817 0 O-C-N 121.728 -0.608 . . . . 0.0 109.883 -178.785 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 50' ' ' GLN . . . . . 0.413 ' CD ' ' H ' ' A' ' 50' ' ' GLN . 28.6 mp0 -60.04 -33.3 71.85 Favored 'General case' 0 N--CA 1.498 1.936 0 O-C-N 121.288 -0.883 . . . . 0.0 109.477 -179.557 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 76.2 mm-40 -59.43 -38.92 81.89 Favored 'General case' 0 C--N 1.3 -1.552 0 O-C-N 121.306 -0.871 . . . . 0.0 109.831 -179.158 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 51.4 t -60.16 -41.86 88.16 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.718 0 O-C-N 120.994 -1.066 . . . . 0.0 109.192 179.549 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 52.9 t -60.89 -41.14 87.72 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.556 0 O-C-N 121.223 -0.923 . . . . 0.0 109.596 179.369 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 67.3 t0 -60.61 -45.44 94.03 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.282 -0.886 . . . . 0.0 110.142 -179.356 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 53.5 tptt -59.82 -45.78 91.3 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.057 -1.027 . . . . 0.0 108.603 -179.496 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 54.4 t -61.74 -39.94 85.1 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.647 0 O-C-N 121.528 -0.732 . . . . 0.0 109.78 179.2 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 57' ' ' MET . . . . . 0.437 ' SD ' ' OD1' ' A' ' 61' ' ' ASP . 0.0 OUTLIER -59.29 -40.08 85.0 Favored 'General case' 0 C--N 1.3 -1.563 0 O-C-N 121.281 -0.887 . . . . 0.0 109.653 -178.449 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 53.0 tp10 -61.69 -44.93 95.99 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.032 -1.043 . . . . 0.0 109.594 179.653 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 94.4 m -63.68 -40.38 96.68 Favored 'General case' 0 N--CA 1.5 2.072 0 O-C-N 121.08 -1.013 . . . . 0.0 110.908 -179.042 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -67.41 -40.26 85.55 Favored 'General case' 0 N--CA 1.496 1.848 0 O-C-N 121.173 -0.955 . . . . 0.0 110.571 -178.348 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 61' ' ' ASP . . . . . 0.437 ' OD1' ' SD ' ' A' ' 57' ' ' MET . 1.1 m-20 -76.7 117.35 18.23 Favored 'General case' 0 C--N 1.3 -1.559 0 O-C-N 121.073 -1.017 . . . . 0.0 109.217 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 64.5 mm-40 -66.87 -40.3 87.8 Favored 'General case' 0 N--CA 1.495 1.811 0 O-C-N 121.336 -0.853 . . . . 0.0 110.579 -178.894 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 63' ' ' ASP . . . . . 0.44 ' OD2' ' OD2' ' A' ' 65' ' ' ASP . 28.3 p-10 -100.84 0.81 39.29 Favored 'General case' 0 N--CA 1.5 2.027 0 O-C-N 121.262 -0.899 . . . . 0.0 110.566 -179.238 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 57.2 51.5 57.16 Favored Glycine 0 N--CA 1.493 2.49 0 N-CA-C 109.929 -1.269 . . . . 0.0 109.929 179.863 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 65' ' ' ASP . . . . . 0.44 ' OD2' ' OD2' ' A' ' 63' ' ' ASP . 96.8 m-20 -71.92 -20.62 61.74 Favored 'General case' 0 N--CA 1.494 1.739 0 O-C-N 121.284 -1.127 . . . . 0.0 110.226 -179.79 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 89.56 -7.87 81.01 Favored Glycine 0 N--CA 1.493 2.437 0 N-CA-C 109.61 -1.396 . . . . 0.0 109.61 -179.93 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 86.1 tt0 -136.29 143.13 44.04 Favored 'General case' 0 N--CA 1.498 1.955 0 O-C-N 121.312 -1.11 . . . . 0.0 108.471 179.339 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 2.9 p -98.52 118.48 35.31 Favored 'General case' 0 N--CA 1.494 1.748 0 O-C-N 121.611 -0.681 . . . . 0.0 110.164 -178.89 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 69' ' ' ASP . . . . . 0.411 ' C ' ' OD1' ' A' ' 69' ' ' ASP . 39.0 p-10 -93.44 177.54 6.0 Favored 'General case' 0 N--CA 1.5 2.027 0 O-C-N 121.243 -0.91 . . . . 0.0 109.663 179.805 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 66.0 t80 -59.85 -41.44 91.45 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.34 -0.85 . . . . 0.0 110.244 -179.564 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 60.4 tt0 -60.17 -44.46 95.02 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 121.018 -1.051 . . . . 0.0 110.178 179.872 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -70.3 -29.83 66.67 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.219 -0.926 . . . . 0.0 109.569 179.74 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 75.4 t80 -59.76 -45.0 93.6 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.145 -0.972 . . . . 0.0 108.948 179.849 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 9.2 mmt -60.09 -40.53 89.92 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.275 -0.891 . . . . 0.0 108.983 178.76 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -60.65 -40.48 92.16 Favored 'General case' 0 C--N 1.304 -1.4 0 O-C-N 121.191 -0.943 . . . . 0.0 109.71 179.927 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 70.9 t80 -60.2 -42.38 94.97 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.369 -0.832 . . . . 0.0 110.946 -179.758 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 53.1 t -64.07 -45.94 95.19 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.592 0 O-C-N 121.054 -1.029 . . . . 0.0 108.962 -179.126 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 58.4 m -63.09 -41.03 99.31 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.348 -0.845 . . . . 0.0 110.374 -179.535 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 31.1 mmm -62.87 -40.29 97.04 Favored 'General case' 0 C--N 1.3 -1.554 0 O-C-N 120.875 -1.14 . . . . 0.0 110.126 -178.957 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 53.7 t -67.42 -42.51 87.35 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.75 0 O-C-N 120.974 -1.079 . . . . 0.0 110.491 179.816 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 19.4 p -64.8 -40.82 95.86 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 120.818 -1.176 . . . . 0.0 110.187 -179.318 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 75.6 p -68.64 -39.81 80.56 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.276 -0.89 . . . . 0.0 109.995 -179.911 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -68.52 -40.08 80.95 Favored 'General case' 0 C--N 1.301 -1.511 0 O-C-N 121.407 -0.808 . . . . 0.0 109.486 -179.451 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 17.8 t -73.36 142.29 47.04 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.338 -0.851 . . . . 0.0 108.74 179.59 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 52.6 m170 -76.51 141.07 41.38 Favored 'General case' 0 C--N 1.303 -1.44 0 O-C-N 121.443 -0.786 . . . . 0.0 110.243 -179.022 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 41.0 mt-10 -70.46 -154.73 0.02 OUTLIER 'General case' 0 C--N 1.302 -1.483 0 N-CA-C 108.795 -0.817 . . . . 0.0 108.795 179.402 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 36.4 t80 55.44 90.82 0.03 OUTLIER 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.256 -0.903 . . . . 0.0 109.765 179.772 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 47.6 t80 . . . . . 0 N--CA 1.492 1.64 0 N-CA-C 108.42 -0.955 . . . . 0.0 108.42 179.126 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 30.3 t . . . . . 0 N--CA 1.49 1.566 0 CA-C-O 121.291 0.567 . . . . 0.0 109.615 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 46.0 mt-10 -61.58 -36.71 81.45 Favored 'General case' 0 N--CA 1.494 1.742 0 O-C-N 121.429 -0.794 . . . . 0.0 108.901 179.83 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 3' ' ' LEU . . . . . 0.52 HD13 ' O ' ' B' ' 3' ' ' LEU . 0.3 OUTLIER -58.36 -46.62 85.94 Favored 'General case' 0 N--CA 1.488 1.469 0 N-CA-C 108.196 -1.038 . . . . 0.0 108.196 179.443 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 87.7 tt0 -60.01 -40.21 88.46 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 120.887 -1.133 . . . . 0.0 109.672 179.081 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 57.7 mmtt -59.99 -39.07 84.49 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.22 -0.925 . . . . 0.0 109.672 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -59.94 -48.93 79.69 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.223 -0.923 . . . . 0.0 110.224 -178.731 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 7' ' ' MET . . . . . . . . . . . . . 94.0 mtp -64.71 -40.2 94.95 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 120.945 -1.097 . . . . 0.0 110.209 -179.877 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 58.0 t -68.7 -47.51 76.16 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.558 0 O-C-N 121.187 -0.946 . . . . 0.0 109.837 -179.813 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -64.38 -40.01 94.98 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.387 -0.821 . . . . 0.0 110.314 -178.973 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 7.6 tt -61.05 -40.81 95.06 Favored 'General case' 0 C--N 1.302 -1.459 0 O-C-N 121.116 -0.99 . . . . 0.0 109.399 -179.141 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 96.9 mt -67.44 -40.48 84.62 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.49 0 O-C-N 121.248 -0.908 . . . . 0.0 110.45 -179.525 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 96.8 m-20 -64.38 -40.07 95.09 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.024 -1.048 . . . . 0.0 109.81 -179.764 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 61.0 t -68.35 -42.79 84.46 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.747 0 O-C-N 121.091 -1.006 . . . . 0.0 110.109 -179.738 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 14' ' ' PHE . . . . . . . . . . . . . 71.6 t80 -60.45 -42.16 95.57 Favored 'General case' 0 N--CA 1.495 1.776 0 O-C-N 120.953 -1.092 . . . . 0.0 110.025 -179.802 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 14.4 m-70 -65.29 -38.79 91.31 Favored 'General case' 0 C--N 1.298 -1.653 0 O-C-N 121.287 -0.883 . . . . 0.0 110.197 179.722 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 63.5 tt0 -60.02 -56.34 22.85 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.096 -1.002 . . . . 0.0 110.722 -178.154 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 71.0 m-85 -70.19 -39.59 75.11 Favored 'General case' 0 C--N 1.297 -1.688 0 O-C-N 121.03 -1.043 . . . . 0.0 110.978 -179.678 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 18' ' ' SER . . . . . 0.464 ' O ' ' O ' ' B' ' 23' ' ' ASP . 55.8 p -71.79 -41.24 68.53 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 120.791 -1.193 . . . . 0.0 110.403 -178.819 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -67.84 -0.77 14.92 Favored Glycine 0 N--CA 1.495 2.631 0 N-CA-C 109.856 -1.298 . . . . 0.0 109.856 -179.661 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 20' ' ' ARG . . . . . 0.498 HH11 ' HG2' ' B' ' 20' ' ' ARG . 6.2 ttt-85 -60.17 -39.8 87.72 Favored 'General case' 0 C--N 1.295 -1.763 0 O-C-N 121.361 -1.082 . . . . 0.0 109.649 179.857 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 21' ' ' GLU . . . . . 0.501 ' C ' ' H ' ' B' ' 23' ' ' ASP . 37.9 mt-10 -117.54 49.58 1.2 Allowed 'General case' 0 N--CA 1.503 2.21 0 O-C-N 121.404 -0.81 . . . . 0.0 110.834 -178.67 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . 58.48 -1.1 0.31 Allowed Glycine 0 N--CA 1.489 2.168 0 C-N-CA 119.951 -1.119 . . . . 0.0 110.391 179.219 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 23' ' ' ASP . . . . . 0.501 ' H ' ' C ' ' B' ' 21' ' ' GLU . 83.5 m-20 -92.8 95.9 9.82 Favored 'General case' 0 N--CA 1.496 1.833 0 O-C-N 120.98 -1.306 . . . . 0.0 108.681 179.744 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 97.6 mttt -97.03 -35.7 10.74 Favored 'General case' 0 N--CA 1.496 1.846 0 O-C-N 120.997 -1.064 . . . . 0.0 110.32 -179.378 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 25' ' ' HIS . . . . . . . . . . . . . 77.4 m80 -99.76 0.75 42.31 Favored 'General case' 0 N--CA 1.498 1.942 0 O-C-N 121.264 -0.897 . . . . 0.0 110.177 -179.214 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -127.48 145.71 50.75 Favored 'General case' 0 N--CA 1.501 2.091 0 O-C-N 121.462 -0.774 . . . . 0.0 109.225 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 41.4 tp -115.06 134.39 55.22 Favored 'General case' 0 N--CA 1.498 1.933 0 N-CA-C 108.253 -1.017 . . . . 0.0 108.253 179.892 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 39.2 tttm -97.47 151.22 20.21 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.39 -0.819 . . . . 0.0 110.724 -178.847 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -59.81 -39.57 85.48 Favored 'General case' 0 N--CA 1.498 1.965 0 CA-C-N 116.233 -0.439 . . . . 0.0 109.965 -179.481 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 89.1 p -59.83 -39.89 86.61 Favored 'General case' 0 N--CA 1.496 1.836 0 O-C-N 121.242 -0.911 . . . . 0.0 109.538 -179.538 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 89.8 mt-10 -67.7 -30.9 70.52 Favored 'General case' 0 C--N 1.302 -1.495 0 O-C-N 121.192 -0.942 . . . . 0.0 109.728 179.821 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 32' ' ' LEU . . . . . 0.584 ' O ' HD23 ' B' ' 32' ' ' LEU . 3.5 tt -59.96 -50.4 73.89 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 120.931 -1.105 . . . . 0.0 109.693 -179.308 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 7.8 ttpm? -59.78 -41.39 91.03 Favored 'General case' 0 N--CA 1.496 1.839 0 O-C-N 120.318 -1.489 . . . . 0.0 110.025 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 80.7 mm-40 -63.09 -39.64 95.31 Favored 'General case' 0 C--N 1.299 -1.604 0 O-C-N 120.886 -1.134 . . . . 0.0 109.883 -179.889 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 5.9 tt -60.33 -45.95 91.62 Favored 'General case' 0 C--N 1.301 -1.536 0 O-C-N 121.283 -0.886 . . . . 0.0 109.3 -179.223 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 97.1 mt -60.24 -42.6 90.99 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.405 0 O-C-N 121.149 -0.97 . . . . 0.0 109.786 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 40.5 t30 -60.33 -39.69 87.95 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.466 -0.771 . . . . 0.0 109.902 -179.771 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 13.4 t-20 -42.78 -91.89 0.0 OUTLIER 'General case' 0 N--CA 1.496 1.84 0 O-C-N 121.561 -0.712 . . . . 0.0 110.638 -178.966 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 9.1 mp0 -143.66 44.34 1.49 Allowed 'General case' 0 N--CA 1.5 2.062 0 O-C-N 120.721 -1.237 . . . . 0.0 110.033 -179.441 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 4.0 tp -130.64 10.66 5.18 Favored 'General case' 0 N--CA 1.506 2.344 0 O-C-N 121.036 -1.04 . . . . 0.0 109.36 -179.931 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 41' ' ' SER . . . . . 0.441 ' O ' ' O ' ' B' ' 44' ' ' LEU . 58.5 m -70.54 -25.55 63.16 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.04 -1.038 . . . . 0.0 109.614 -179.673 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 42' ' ' HIS . . . . . . . . . . . . . 74.0 m80 -61.57 -40.24 94.02 Favored 'General case' 0 C--N 1.302 -1.475 0 O-C-N 121.107 -0.996 . . . . 0.0 109.184 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 80.6 m-85 -69.37 -36.48 76.86 Favored 'General case' 0 N--CA 1.495 1.807 0 O-C-N 121.196 -0.94 . . . . 0.0 110.694 -179.431 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 44' ' ' LEU . . . . . 0.441 ' O ' ' O ' ' B' ' 41' ' ' SER . 6.1 mp -106.17 135.46 47.61 Favored 'General case' 0 N--CA 1.505 2.288 0 O-C-N 121.056 -1.027 . . . . 0.0 110.15 -179.613 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 88.2 tt0 -140.3 76.61 1.57 Allowed 'General case' 0 N--CA 1.498 1.932 0 O-C-N 121.155 -0.965 . . . . 0.0 108.945 178.997 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 46' ' ' GLU . . . . . 0.409 ' H ' ' H ' ' B' ' 47' ' ' ILE . 0.9 OUTLIER -173.21 -1.8 0.01 OUTLIER 'General case' 0 N--CA 1.494 1.746 0 O-C-N 121.109 -0.994 . . . . 0.0 109.638 179.991 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' B' B ' 47' ' ' ILE . . . . . 0.409 ' H ' ' H ' ' B' ' 46' ' ' GLU . 95.8 mt -94.18 123.79 46.42 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.079 0 O-C-N 121.126 -0.984 . . . . 0.0 110.024 -179.43 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 53.3 mttm -129.78 -63.29 0.93 Allowed 'General case' 0 N--CA 1.502 2.145 0 O-C-N 121.337 -0.852 . . . . 0.0 109.911 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 49.8 tp10 -95.24 153.03 17.86 Favored 'General case' 0 N--CA 1.497 1.919 0 O-C-N 121.581 -0.699 . . . . 0.0 109.569 -178.952 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 50' ' ' GLN . . . . . 0.44 ' CD ' ' H ' ' B' ' 50' ' ' GLN . 28.5 mp0 -60.09 -32.49 71.01 Favored 'General case' 0 N--CA 1.5 2.055 0 O-C-N 120.973 -1.079 . . . . 0.0 109.82 -179.268 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 75.9 mm-40 -59.61 -39.28 83.7 Favored 'General case' 0 C--N 1.299 -1.599 0 O-C-N 121.606 -0.684 . . . . 0.0 109.292 -179.04 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 55.4 t -60.0 -41.95 87.93 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.85 0 C-N-CA 119.175 -1.01 . . . . 0.0 108.911 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 53.4 t -60.69 -41.52 88.55 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.75 0 O-C-N 121.165 -0.959 . . . . 0.0 109.229 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 67.0 t0 -59.99 -44.98 94.17 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.329 -0.857 . . . . 0.0 110.386 -179.652 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 51.9 tptt -60.09 -46.34 89.91 Favored 'General case' 0 N--CA 1.495 1.793 0 O-C-N 120.767 -1.208 . . . . 0.0 108.473 -179.859 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 53.6 t -61.51 -39.83 84.33 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.599 0 O-C-N 121.359 -0.838 . . . . 0.0 109.701 179.326 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 57' ' ' MET . . . . . 0.445 ' SD ' ' OD1' ' B' ' 61' ' ' ASP . 0.0 OUTLIER -59.3 -40.09 85.1 Favored 'General case' 0 C--N 1.3 -1.583 0 O-C-N 121.168 -0.958 . . . . 0.0 109.558 -178.252 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 53.1 tp10 -61.73 -44.65 96.5 Favored 'General case' 0 N--CA 1.488 1.465 0 O-C-N 120.785 -1.197 . . . . 0.0 109.647 179.594 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 94.1 m -63.93 -40.34 96.22 Favored 'General case' 0 N--CA 1.5 2.054 0 O-C-N 121.152 -0.967 . . . . 0.0 110.871 -178.771 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -67.6 -39.93 84.79 Favored 'General case' 0 N--CA 1.495 1.788 0 O-C-N 121.266 -0.896 . . . . 0.0 110.63 -178.879 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 61' ' ' ASP . . . . . 0.445 ' OD1' ' SD ' ' B' ' 57' ' ' MET . 1.1 m-20 -77.05 117.37 18.56 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 120.792 -1.192 . . . . 0.0 109.126 -179.709 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 65.3 mm-40 -66.41 -41.23 89.58 Favored 'General case' 0 N--CA 1.496 1.833 0 O-C-N 121.3 -0.875 . . . . 0.0 111.068 -179.103 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 63' ' ' ASP . . . . . 0.446 ' OD2' ' OD2' ' B' ' 65' ' ' ASP . 28.1 p-10 -100.12 -0.31 39.19 Favored 'General case' 0 N--CA 1.499 1.989 0 O-C-N 121.246 -0.909 . . . . 0.0 110.311 -178.947 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 59.25 50.7 65.01 Favored Glycine 0 N--CA 1.492 2.416 0 N-CA-C 109.992 -1.243 . . . . 0.0 109.992 179.523 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 65' ' ' ASP . . . . . 0.446 ' OD2' ' OD2' ' B' ' 63' ' ' ASP . 96.7 m-20 -71.08 -22.36 62.12 Favored 'General case' 0 N--CA 1.494 1.768 0 O-C-N 121.378 -1.072 . . . . 0.0 110.683 -179.535 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 90.81 -7.91 80.55 Favored Glycine 0 N--CA 1.498 2.771 0 N-CA-C 109.489 -1.444 . . . . 0.0 109.489 -179.669 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 87.1 tt0 -137.61 141.79 41.26 Favored 'General case' 0 N--CA 1.494 1.761 0 O-C-N 121.492 -1.005 . . . . 0.0 108.755 179.752 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 68' ' ' CYS . . . . . . . . . . . . . 5.0 p -97.96 119.19 36.16 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.263 -0.898 . . . . 0.0 110.621 -178.581 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 69' ' ' ASP . . . . . 0.412 ' OD1' ' C ' ' B' ' 69' ' ' ASP . 39.8 p-10 -93.52 177.72 5.93 Favored 'General case' 0 N--CA 1.5 2.025 0 O-C-N 121.042 -1.036 . . . . 0.0 109.732 179.8 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 62.4 t80 -60.18 -41.22 92.42 Favored 'General case' 0 C--N 1.304 -1.383 0 O-C-N 121.513 -0.742 . . . . 0.0 110.1 -179.594 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 61.9 tt0 -60.24 -44.62 95.08 Favored 'General case' 0 N--CA 1.494 1.766 0 O-C-N 120.878 -1.139 . . . . 0.0 109.918 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -69.99 -29.9 67.1 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.16 -0.963 . . . . 0.0 109.704 179.707 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 73' ' ' PHE . . . . . . . . . . . . . 73.3 t80 -60.01 -44.12 94.78 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 120.98 -1.075 . . . . 0.0 109.13 179.617 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 74' ' ' MET . . . . . . . . . . . . . 8.5 mmt -60.63 -40.1 90.68 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.19 -0.944 . . . . 0.0 109.276 178.952 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -60.78 -40.65 93.38 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.196 -0.94 . . . . 0.0 109.655 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 66.2 t80 -59.99 -43.19 95.32 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 121.284 -0.885 . . . . 0.0 110.792 -179.659 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 77' ' ' VAL . . . . . . . . . . . . . 55.1 t -62.87 -47.22 93.89 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.461 0 O-C-N 120.849 -1.157 . . . . 0.0 108.687 -179.854 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 78' ' ' SER . . . . . . . . . . . . . 58.3 m -61.94 -41.64 98.19 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.239 -0.913 . . . . 0.0 110.692 -179.558 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 79' ' ' MET . . . . . . . . . . . . . 23.7 mmm -62.36 -39.98 94.92 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.102 -0.999 . . . . 0.0 109.95 -179.416 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 55.3 t -68.69 -42.47 83.13 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.71 0 O-C-N 120.861 -1.149 . . . . 0.0 110.59 -179.645 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 16.6 p -64.2 -42.53 96.6 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 120.693 -1.254 . . . . 0.0 109.808 -179.583 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 74.3 p -67.28 -40.35 86.14 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.324 -0.86 . . . . 0.0 109.986 -179.583 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -68.27 -40.84 81.74 Favored 'General case' 0 C--N 1.302 -1.494 0 O-C-N 121.334 -0.854 . . . . 0.0 109.605 -179.4 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 84' ' ' CYS . . . . . . . . . . . . . 9.5 t -72.59 142.62 48.4 Favored 'General case' 0 C--N 1.304 -1.407 0 N-CA-C 108.465 -0.939 . . . . 0.0 108.465 179.642 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 85' ' ' HIS . . . . . . . . . . . . . 49.9 m170 -77.17 141.94 39.88 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.201 -0.937 . . . . 0.0 109.912 -178.967 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 42.1 mt-10 -70.82 -153.65 0.02 OUTLIER 'General case' 0 N--CA 1.487 1.387 0 N-CA-C 108.892 -0.781 . . . . 0.0 108.892 179.348 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 87' ' ' PHE . . . . . . . . . . . . . 35.4 t80 54.77 91.55 0.03 OUTLIER 'General case' 0 N--CA 1.486 1.367 0 O-C-N 121.461 -0.775 . . . . 0.0 109.657 179.74 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 49.6 t80 . . . . . 0 N--CA 1.493 1.724 0 N-CA-C 108.298 -1.001 . . . . 0.0 108.298 179.197 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 6.2 m . . . . . 0 N--CA 1.49 1.538 0 CA-C-O 121.358 0.599 . . . . 0.0 109.697 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 75.1 mm-40 -59.9 -37.24 78.85 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.309 -0.869 . . . . 0.0 109.71 179.894 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 3' ' ' LEU . . . . . 0.538 HD11 HG11 ' B' ' 13' ' ' VAL . 69.4 mt -59.97 -40.23 88.39 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.405 -0.81 . . . . 0.0 110.161 -178.981 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 -66.37 -40.16 89.56 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 120.88 -1.138 . . . . 0.0 110.076 -179.492 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 63.2 mttp -68.25 -38.49 81.84 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.115 -0.991 . . . . 0.0 109.667 179.289 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -59.99 -44.91 94.22 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.292 -0.88 . . . . 0.0 110.195 -178.938 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -59.99 -46.28 89.98 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 120.999 -1.063 . . . . 0.0 109.236 -179.95 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 96.5 t -67.16 -38.66 81.54 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.613 0 O-C-N 121.331 -0.856 . . . . 0.0 109.646 -179.833 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -57.08 -48.56 78.29 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.203 -0.936 . . . . 0.0 110.499 -178.669 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 9.6 mp -60.12 -45.99 91.13 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 120.868 -1.145 . . . . 0.0 109.649 -179.509 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 44.1 mm -67.19 -42.88 88.57 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.705 0 O-C-N 120.694 -1.254 . . . . 0.0 109.891 -179.903 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 7.6 t0 -60.04 -49.58 77.09 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.438 -0.789 . . . . 0.0 110.579 -179.109 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.425 HG11 HD11 ' B' ' 3' ' ' LEU . 84.1 t -69.29 -40.84 80.71 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.703 0 O-C-N 120.908 -1.12 . . . . 0.0 110.32 -179.03 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 14' ' ' PHE . . . . . 0.606 ' CE1' ' CE2' ' A' ' 70' ' ' PHE . 25.6 t80 -59.96 -45.37 92.87 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 121.197 -0.939 . . . . 0.0 109.79 -179.15 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 11.5 t-160 -65.16 -41.3 94.81 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.346 -0.846 . . . . 0.0 111.533 -179.128 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 5.1 tm0? -64.79 -52.91 54.33 Favored 'General case' 0 N--CA 1.495 1.814 0 O-C-N 120.937 -1.102 . . . . 0.0 110.982 -178.189 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 54.6 m-85 -70.12 -40.05 75.09 Favored 'General case' 0 N--CA 1.496 1.844 0 O-C-N 120.893 -1.129 . . . . 0.0 110.377 -179.791 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 18' ' ' SER . . . . . 0.493 ' C ' ' H ' ' A' ' 20' ' ' ARG . 78.9 p -67.85 -34.4 76.62 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.158 -0.964 . . . . 0.0 110.408 -179.562 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -69.63 17.82 0.64 Allowed Glycine 0 N--CA 1.493 2.493 0 N-CA-C 110.19 -1.164 . . . . 0.0 110.19 -179.501 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 20' ' ' ARG . . . . . 0.493 ' H ' ' C ' ' A' ' 18' ' ' SER . 11.7 tpp180 -60.11 -39.93 87.92 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.003 -1.292 . . . . 0.0 109.771 -179.53 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.5 ' C ' ' H ' ' A' ' 23' ' ' ASP . 68.2 tt0 -146.29 56.86 1.18 Allowed 'General case' 0 N--CA 1.498 1.943 0 O-C-N 120.812 -1.18 . . . . 0.0 110.124 -179.518 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 61.86 -4.13 0.56 Allowed Glycine 0 N--CA 1.493 2.473 0 N-CA-C 110.046 -1.222 . . . . 0.0 110.046 179.367 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 23' ' ' ASP . . . . . 0.5 ' H ' ' C ' ' A' ' 21' ' ' GLU . 94.6 m-20 -83.98 63.12 7.41 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.016 -1.285 . . . . 0.0 109.227 -179.736 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 45.8 mtmt -69.93 -38.61 76.25 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.386 -0.822 . . . . 0.0 110.407 -179.617 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 40.7 t-80 -90.08 1.63 56.14 Favored 'General case' 0 N--CA 1.498 1.967 0 O-C-N 121.029 -1.044 . . . . 0.0 111.625 -178.001 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 86.7 mttt -136.84 145.0 43.92 Favored 'General case' 0 N--CA 1.503 2.196 0 O-C-N 120.765 -1.21 . . . . 0.0 111.149 -179.057 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.444 HD11 ' CE2' ' A' ' 14' ' ' PHE . 18.2 mt -120.19 141.79 49.58 Favored 'General case' 0 N--CA 1.497 1.904 0 N-CA-C 108.644 -0.873 . . . . 0.0 108.644 179.179 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.454 ' NZ ' ' OD2' ' A' ' 23' ' ' ASP . 37.9 mttp -98.6 165.89 11.6 Favored 'General case' 0 N--CA 1.499 2.023 0 O-C-N 121.185 -0.947 . . . . 0.0 109.963 179.946 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 13.6 pttm -60.11 -39.79 87.42 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.494 -0.754 . . . . 0.0 109.475 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 22.8 t -61.62 -40.0 93.28 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 121.255 -0.903 . . . . 0.0 109.573 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 42.1 mt-10 -60.69 -40.07 90.85 Favored 'General case' 0 N--CA 1.488 1.436 0 O-C-N 121.182 -0.949 . . . . 0.0 109.81 -179.93 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 90.2 mt -64.6 -39.98 94.7 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.059 -1.026 . . . . 0.0 109.961 -179.308 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 2.4 tmmt? -60.13 -49.82 76.11 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 120.695 -1.253 . . . . 0.0 110.295 -179.106 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 99.3 mt-10 -69.46 -39.36 77.79 Favored 'General case' 0 C--N 1.301 -1.518 0 O-C-N 121.12 -0.988 . . . . 0.0 109.673 -179.922 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.401 ' O ' ' CD ' ' A' ' 39' ' ' GLU . 59.1 tp -60.2 -48.79 80.25 Favored 'General case' 0 N--CA 1.494 1.762 0 O-C-N 121.411 -0.806 . . . . 0.0 111.446 -178.233 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.45 ' O ' ' OE1' ' A' ' 39' ' ' GLU . 1.3 mp -60.08 -40.97 84.86 Favored 'Isoleucine or valine' 0 N--CA 1.504 2.229 0 O-C-N 120.722 -1.236 . . . . 0.0 109.891 -178.406 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 67.0 m-80 -60.37 -38.55 84.25 Favored 'General case' 0 C--N 1.299 -1.624 0 O-C-N 120.624 -1.298 . . . . 0.0 109.847 -179.674 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 21.0 m120 -60.21 -40.87 91.64 Favored 'General case' 0 N--CA 1.495 1.794 0 O-C-N 121.21 -0.931 . . . . 0.0 112.684 -177.837 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 39' ' ' GLU . . . . . 0.499 ' OE1' ' N ' ' A' ' 39' ' ' GLU . 0.0 OUTLIER -108.38 -73.26 0.69 Allowed 'General case' 0 N--CA 1.513 2.679 0 O-C-N 120.785 -1.197 . . . . 0.0 110.545 -178.576 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.479 ' N ' ' OE1' ' A' ' 39' ' ' GLU . 3.0 mp -84.79 81.82 8.71 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.048 -1.033 . . . . 0.0 110.115 -178.479 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 41' ' ' SER . . . . . 0.43 ' OG ' ' N ' ' A' ' 42' ' ' HIS . 1.4 p -102.51 -52.82 3.02 Favored 'General case' 0 N--CA 1.496 1.852 0 N-CA-C 108.78 -0.822 . . . . 0.0 108.78 179.094 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 42' ' ' HIS . . . . . 0.43 ' N ' ' OG ' ' A' ' 41' ' ' SER . 94.0 m-70 -70.01 -36.3 75.0 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.655 -0.653 . . . . 0.0 110.256 -179.808 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 43' ' ' PHE . . . . . 0.46 ' C ' HD12 ' A' ' 44' ' ' LEU . 63.3 m-85 -59.9 -39.96 87.16 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 121.176 -0.952 . . . . 0.0 109.995 -179.195 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.507 ' N ' HD12 ' A' ' 44' ' ' LEU . 7.7 mp -100.06 14.04 32.03 Favored 'General case' 0 N--CA 1.499 1.995 0 O-C-N 121.263 -0.898 . . . . 0.0 109.294 -179.584 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 45' ' ' GLU . . . . . 0.444 ' O ' ' O ' ' A' ' 46' ' ' GLU . 64.6 mm-40 57.06 39.99 28.83 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.631 -0.668 . . . . 0.0 110.221 -179.699 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 46' ' ' GLU . . . . . 0.444 ' O ' ' O ' ' A' ' 45' ' ' GLU . 95.7 mt-10 46.34 96.34 0.01 OUTLIER 'General case' 0 N--CA 1.494 1.75 0 O-C-N 121.361 -0.837 . . . . 0.0 110.423 178.794 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 91.4 mt -60.4 120.26 5.89 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.636 0 O-C-N 120.956 -1.09 . . . . 0.0 108.804 179.336 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -101.82 -4.43 26.34 Favored 'General case' 0 N--CA 1.499 1.988 0 O-C-N 121.316 -0.865 . . . . 0.0 110.576 -179.279 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 13.6 mm-40 -111.81 131.66 55.19 Favored 'General case' 0 N--CA 1.508 2.458 0 O-C-N 121.09 -1.006 . . . . 0.0 109.356 179.409 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 1.7 mp0 -69.97 -37.09 75.67 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.398 -0.814 . . . . 0.0 109.842 179.802 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 13.4 pt-20 -59.54 -33.62 71.63 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.163 -0.961 . . . . 0.0 110.226 -179.195 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 54.4 t -60.1 -40.8 84.41 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.555 0 O-C-N 120.827 -1.171 . . . . 0.0 108.709 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 54.5 t -61.62 -41.84 91.88 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.498 0 O-C-N 121.171 -0.955 . . . . 0.0 109.174 179.221 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 7.0 t0 -63.28 -41.74 99.03 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.253 -0.904 . . . . 0.0 110.093 -179.89 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -59.9 -48.71 80.58 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.059 -1.026 . . . . 0.0 109.003 -179.832 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 54.5 t -66.07 -41.47 89.63 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.437 0 O-C-N 121.206 -0.934 . . . . 0.0 109.415 179.6 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 28.2 ttt -61.48 -40.03 93.06 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.412 -0.805 . . . . 0.0 109.43 179.776 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 13.8 tm-20 -60.15 -39.96 88.2 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.437 -0.789 . . . . 0.0 110.023 -179.626 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 94.9 m -60.17 -44.46 95.0 Favored 'General case' 0 N--CA 1.496 1.859 0 O-C-N 121.168 -0.957 . . . . 0.0 110.737 -179.186 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.473 ' CD2' ' N ' ' A' ' 60' ' ' LEU . 3.1 mm? -69.14 -40.1 78.46 Favored 'General case' 0 N--CA 1.495 1.807 0 O-C-N 121.024 -1.048 . . . . 0.0 109.929 -179.231 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 91.0 m-20 -80.99 58.03 3.3 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.245 -0.909 . . . . 0.0 109.364 179.885 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 85.4 tt0 -60.09 -32.32 70.85 Favored 'General case' 0 C--N 1.304 -1.374 0 N-CA-C 108.352 -0.981 . . . . 0.0 108.352 179.432 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 63' ' ' ASP . . . . . 0.425 ' OD2' ' OD2' ' A' ' 65' ' ' ASP . 29.0 p30 -77.26 -11.03 59.78 Favored 'General case' 0 N--CA 1.487 1.424 0 O-C-N 121.43 -0.794 . . . . 0.0 109.336 179.73 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 68.47 29.59 73.02 Favored Glycine 0 N--CA 1.493 2.469 0 N-CA-C 110.405 -1.078 . . . . 0.0 110.405 179.142 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 65' ' ' ASP . . . . . 0.425 ' OD2' ' OD2' ' A' ' 63' ' ' ASP . 98.2 m-20 -62.78 -37.25 85.93 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 120.982 -1.305 . . . . 0.0 109.429 179.503 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 95.46 -8.11 68.94 Favored Glycine 0 N--CA 1.496 2.651 0 N-CA-C 109.84 -1.304 . . . . 0.0 109.84 179.874 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 64.7 mm-40 -134.79 147.78 50.05 Favored 'General case' 0 N--CA 1.499 2.006 0 O-C-N 121.311 -1.111 . . . . 0.0 109.315 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 2.1 m -99.45 118.5 36.19 Favored 'General case' 0 N--CA 1.5 2.063 0 O-C-N 121.296 -0.877 . . . . 0.0 109.93 -179.591 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 2.3 p-10 -90.53 179.49 5.83 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.38 -0.825 . . . . 0.0 109.998 179.553 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 70' ' ' PHE . . . . . 0.606 ' CE2' ' CE1' ' A' ' 14' ' ' PHE . 0.3 OUTLIER -59.96 -45.19 93.48 Favored 'General case' 0 N--CA 1.494 1.763 0 O-C-N 121.46 -0.775 . . . . 0.0 110.065 -179.615 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 70.3 tp60 -59.85 -47.28 86.36 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 120.954 -1.091 . . . . 0.0 109.063 -179.279 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 86.0 mt-10 -61.88 -39.83 93.3 Favored 'General case' 0 N--CA 1.487 1.381 0 O-C-N 121.084 -1.01 . . . . 0.0 109.313 179.296 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 51.2 t80 -60.09 -49.99 75.49 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.117 -0.99 . . . . 0.0 109.278 179.652 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 55.9 tpp -60.64 -39.84 89.79 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 121.349 -0.844 . . . . 0.0 109.497 179.567 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -59.07 -39.87 83.44 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.447 -0.783 . . . . 0.0 109.777 -179.17 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 65.5 t80 -59.87 -46.72 88.42 Favored 'General case' 0 C--N 1.301 -1.51 0 O-C-N 121.155 -0.966 . . . . 0.0 108.869 179.798 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 53.6 t -63.92 -40.34 88.68 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.477 0 O-C-N 121.342 -0.849 . . . . 0.0 108.99 179.449 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 40.5 t -62.07 -43.87 97.9 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.434 -0.791 . . . . 0.0 110.606 -179.601 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 28.4 ttt -60.46 -41.1 93.43 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.084 -1.01 . . . . 0.0 110.404 -179.008 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 74.3 t -65.88 -39.98 86.22 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.496 0 O-C-N 121.227 -0.921 . . . . 0.0 109.173 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 83.4 m -60.01 -47.46 85.73 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.349 -0.844 . . . . 0.0 109.881 -179.429 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 40.0 p -67.27 -40.05 86.11 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 120.883 -1.136 . . . . 0.0 109.749 -179.644 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 83' ' ' ALA . . . . . 0.42 ' O ' ' O ' ' A' ' 84' ' ' CYS . . . -61.96 -39.97 93.95 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.301 -0.875 . . . . 0.0 110.104 -179.823 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 84' ' ' CYS . . . . . 0.42 ' O ' ' O ' ' A' ' 83' ' ' ALA . 71.0 m -39.93 159.88 0.01 OUTLIER 'General case' 0 N--CA 1.498 1.955 0 O-C-N 121.504 -0.748 . . . . 0.0 110.564 -179.267 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 92.0 m-70 -94.24 96.56 9.66 Favored 'General case' 0 N--CA 1.494 1.773 0 O-C-N 121.393 -0.817 . . . . 0.0 109.867 -179.297 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 43.73 -154.91 0.02 OUTLIER 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.565 -0.709 . . . . 0.0 109.722 179.3 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 52.2 p90 -87.45 132.36 34.02 Favored 'General case' 0 N--CA 1.494 1.759 0 O-C-N 121.096 -1.003 . . . . 0.0 109.359 179.881 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 5.7 m-85 . . . . . 0 N--CA 1.492 1.672 0 O-C-N 120.996 -1.065 . . . . 0.0 108.33 179.757 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 10.7 m . . . . . 0 N--CA 1.49 1.541 0 CA-C-O 121.233 0.54 . . . . 0.0 109.604 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 74.9 mm-40 -60.07 -37.31 79.5 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.399 -0.813 . . . . 0.0 109.626 -179.94 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 3' ' ' LEU . . . . . 0.465 HD13 ' HG2' ' A' ' 39' ' ' GLU . 65.7 mt -60.04 -40.27 88.81 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.225 -0.922 . . . . 0.0 110.216 -179.037 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 -66.07 -40.17 90.65 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 120.905 -1.122 . . . . 0.0 109.921 -179.559 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 63.2 mttp -68.4 -38.7 81.55 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.106 -0.997 . . . . 0.0 109.79 179.174 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -59.96 -44.91 94.14 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.16 -0.962 . . . . 0.0 110.102 -178.945 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 7' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -60.08 -45.75 91.88 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 120.979 -1.076 . . . . 0.0 109.227 -179.883 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 92.9 t -67.73 -38.55 80.49 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.643 0 O-C-N 121.261 -0.899 . . . . 0.0 109.656 -179.921 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -56.45 -49.04 75.77 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.265 -0.897 . . . . 0.0 110.544 -178.823 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 9.6 mp -60.14 -46.03 91.04 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 120.887 -1.133 . . . . 0.0 109.74 -179.356 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 44.5 mm -67.16 -42.7 88.44 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.726 0 O-C-N 120.702 -1.249 . . . . 0.0 109.777 -179.937 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 7.6 t0 -60.09 -49.75 76.43 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.25 -0.906 . . . . 0.0 110.586 -179.149 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 13' ' ' VAL . . . . . 0.538 HG11 HD11 ' A' ' 3' ' ' LEU . 93.8 t -69.28 -40.91 80.81 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.748 0 O-C-N 120.956 -1.09 . . . . 0.0 110.26 -178.953 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 14' ' ' PHE . . . . . 0.618 ' CE1' ' CE2' ' B' ' 70' ' ' PHE . 25.9 t80 -60.01 -45.2 93.55 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 121.196 -0.94 . . . . 0.0 109.749 -179.089 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 11.5 t-160 -65.26 -41.48 94.23 Favored 'General case' 0 N--CA 1.494 1.76 0 O-C-N 121.247 -0.908 . . . . 0.0 111.521 -179.177 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 4.8 tm0? -64.59 -52.93 55.0 Favored 'General case' 0 N--CA 1.494 1.772 0 O-C-N 120.883 -1.136 . . . . 0.0 111.006 -178.184 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 56.0 m-85 -69.92 -40.14 75.74 Favored 'General case' 0 N--CA 1.496 1.841 0 O-C-N 120.81 -1.181 . . . . 0.0 110.337 -179.857 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 18' ' ' SER . . . . . 0.501 ' C ' ' H ' ' B' ' 20' ' ' ARG . 80.4 p -67.93 -34.56 76.84 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.192 -0.943 . . . . 0.0 110.366 -179.249 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -69.48 17.91 0.6 Allowed Glycine 0 N--CA 1.494 2.52 0 N-CA-C 110.217 -1.153 . . . . 0.0 110.217 -179.486 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 20' ' ' ARG . . . . . 0.501 ' H ' ' C ' ' B' ' 18' ' ' SER . 11.7 tpp180 -60.17 -39.78 87.65 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 120.972 -1.311 . . . . 0.0 109.797 -179.584 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 21' ' ' GLU . . . . . 0.502 ' C ' ' H ' ' B' ' 23' ' ' ASP . 66.7 tt0 -146.22 57.0 1.19 Allowed 'General case' 0 N--CA 1.498 1.952 0 O-C-N 120.946 -1.096 . . . . 0.0 110.178 -179.531 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . 61.6 -4.08 0.5 Allowed Glycine 0 N--CA 1.493 2.499 0 C-N-CA 119.765 -1.207 . . . . 0.0 110.142 179.491 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 23' ' ' ASP . . . . . 0.502 ' H ' ' C ' ' B' ' 21' ' ' GLU . 96.4 m-20 -84.05 63.37 7.58 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.051 -1.264 . . . . 0.0 109.269 -179.869 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 47.8 mtmt -69.95 -38.45 76.15 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.462 -0.774 . . . . 0.0 110.364 -179.744 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 25' ' ' HIS . . . . . . . . . . . . . 39.5 t-80 -90.07 1.61 56.16 Favored 'General case' 0 N--CA 1.497 1.904 0 O-C-N 121.025 -1.047 . . . . 0.0 111.71 -178.0 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 85.6 mttt -136.92 144.96 43.74 Favored 'General case' 0 N--CA 1.503 2.212 0 O-C-N 120.835 -1.166 . . . . 0.0 111.193 -178.865 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 27' ' ' LEU . . . . . 0.444 HD11 ' CE2' ' B' ' 14' ' ' PHE . 19.8 mt -120.14 141.47 49.82 Favored 'General case' 0 N--CA 1.498 1.953 0 N-CA-C 108.635 -0.876 . . . . 0.0 108.635 179.348 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 37.3 mttp -98.55 165.95 11.58 Favored 'General case' 0 N--CA 1.498 1.961 0 O-C-N 121.149 -0.97 . . . . 0.0 109.862 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 13.0 pttm -60.01 -39.98 87.67 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.399 -0.813 . . . . 0.0 109.485 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 22.7 t -61.49 -40.06 93.22 Favored 'General case' 0 C--N 1.302 -1.461 0 O-C-N 121.291 -0.881 . . . . 0.0 109.563 -179.943 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 40.0 mt-10 -60.51 -40.0 89.81 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 121.248 -0.908 . . . . 0.0 109.914 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 92.7 mt -64.76 -40.16 94.82 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.137 -0.977 . . . . 0.0 109.82 -179.558 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 2.4 tmmt? -60.06 -49.7 76.62 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 120.657 -1.277 . . . . 0.0 110.34 -179.131 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 99.7 mt-10 -69.76 -38.77 76.89 Favored 'General case' 0 C--N 1.299 -1.601 0 O-C-N 121.153 -0.967 . . . . 0.0 109.581 -179.877 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 62.3 tp -60.08 -49.41 77.78 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.486 -0.759 . . . . 0.0 111.436 -178.23 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 36' ' ' ILE . . . . . 0.458 ' O ' ' OE1' ' B' ' 39' ' ' GLU . 1.5 mp -60.11 -40.48 83.5 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.099 0 O-C-N 120.669 -1.269 . . . . 0.0 110.12 -178.239 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 67.2 m-80 -60.61 -38.33 84.35 Favored 'General case' 0 C--N 1.296 -1.74 0 O-C-N 120.505 -1.372 . . . . 0.0 109.918 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 20.7 m120 -60.29 -41.42 93.34 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.328 -0.857 . . . . 0.0 112.618 -177.975 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 39' ' ' GLU . . . . . 0.514 ' OE1' ' N ' ' B' ' 39' ' ' GLU . 0.0 OUTLIER -107.59 -73.4 0.69 Allowed 'General case' 0 N--CA 1.514 2.746 0 O-C-N 120.806 -1.184 . . . . 0.0 110.524 -178.546 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' B' B ' 40' ' ' LEU . . . . . 0.497 ' N ' ' OE1' ' B' ' 39' ' ' GLU . 3.0 mp -85.01 81.72 8.77 Favored 'General case' 0 N--CA 1.494 1.751 0 O-C-N 121.161 -0.962 . . . . 0.0 110.186 -178.464 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 41' ' ' SER . . . . . 0.44 ' OG ' ' N ' ' B' ' 42' ' ' HIS . 1.7 p -102.07 -52.48 3.15 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.276 -0.89 . . . . 0.0 108.695 178.881 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 42' ' ' HIS . . . . . 0.44 ' N ' ' OG ' ' B' ' 41' ' ' SER . 94.3 m-70 -70.04 -36.35 74.97 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.693 -0.63 . . . . 0.0 110.319 -179.737 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 43' ' ' PHE . . . . . 0.459 ' C ' HD12 ' B' ' 44' ' ' LEU . 64.2 m-85 -59.79 -40.25 87.66 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.059 -1.026 . . . . 0.0 109.972 -179.202 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 44' ' ' LEU . . . . . 0.511 HD12 ' N ' ' B' ' 44' ' ' LEU . 7.8 mp -99.98 14.2 31.37 Favored 'General case' 0 N--CA 1.499 2.01 0 O-C-N 121.279 -0.888 . . . . 0.0 109.318 -179.431 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 45' ' ' GLU . . . . . 0.434 ' O ' ' O ' ' B' ' 46' ' ' GLU . 64.6 mm-40 57.09 39.75 28.9 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.707 -0.62 . . . . 0.0 110.346 -179.786 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 46' ' ' GLU . . . . . 0.434 ' O ' ' O ' ' B' ' 45' ' ' GLU . 95.9 mt-10 46.75 95.83 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.129 -0.982 . . . . 0.0 110.396 178.862 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 84.3 mt -60.09 120.0 5.19 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.562 0 O-C-N 120.893 -1.129 . . . . 0.0 108.822 179.28 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -101.46 -4.35 26.99 Favored 'General case' 0 N--CA 1.499 1.997 0 O-C-N 121.356 -0.84 . . . . 0.0 110.617 -179.444 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 13.9 mm-40 -111.77 131.62 55.2 Favored 'General case' 0 N--CA 1.509 2.487 0 O-C-N 121.05 -1.032 . . . . 0.0 109.308 179.492 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 1.7 mp0 -70.13 -36.75 75.01 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 121.367 -0.833 . . . . 0.0 109.911 179.691 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 13.3 pt-20 -59.98 -33.49 72.03 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.181 -0.95 . . . . 0.0 110.269 -179.183 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 54.7 t -60.07 -40.8 84.33 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.551 0 O-C-N 120.859 -1.151 . . . . 0.0 108.77 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 54.1 t -61.75 -41.7 91.57 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.468 0 O-C-N 121.292 -0.88 . . . . 0.0 109.194 179.112 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 7.0 t0 -63.19 -41.93 99.27 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.19 -0.944 . . . . 0.0 110.129 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -60.04 -48.77 80.33 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.107 -0.995 . . . . 0.0 108.937 -179.674 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 54.7 t -65.5 -41.57 91.24 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.559 0 O-C-N 121.219 -0.926 . . . . 0.0 109.287 179.41 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 57' ' ' MET . . . . . . . . . . . . . 28.2 ttt -61.27 -40.24 93.36 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.292 -0.88 . . . . 0.0 109.549 179.83 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 14.0 tm-20 -59.94 -39.97 87.35 Favored 'General case' 0 N--CA 1.488 1.459 0 O-C-N 121.495 -0.753 . . . . 0.0 110.187 -179.735 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 95.3 m -60.23 -45.11 94.36 Favored 'General case' 0 N--CA 1.495 1.815 0 O-C-N 121.135 -0.978 . . . . 0.0 110.73 -179.287 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 60' ' ' LEU . . . . . 0.467 ' CD2' ' N ' ' B' ' 60' ' ' LEU . 3.6 mm? -68.52 -40.01 80.95 Favored 'General case' 0 N--CA 1.496 1.85 0 O-C-N 120.982 -1.074 . . . . 0.0 110.028 -179.279 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 91.0 m-20 -80.98 57.43 3.09 Favored 'General case' 0 N--CA 1.488 1.462 0 O-C-N 121.185 -0.947 . . . . 0.0 109.428 179.899 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 87.4 tt0 -60.18 -31.59 70.27 Favored 'General case' 0 C--N 1.303 -1.418 0 N-CA-C 108.293 -1.003 . . . . 0.0 108.293 179.649 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 63' ' ' ASP . . . . . 0.429 ' OD2' ' OD2' ' B' ' 65' ' ' ASP . 29.4 p30 -77.73 -11.18 59.85 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.348 -0.845 . . . . 0.0 109.29 179.482 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 68.68 29.47 72.77 Favored Glycine 0 N--CA 1.493 2.472 0 N-CA-C 110.505 -1.038 . . . . 0.0 110.505 179.061 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 65' ' ' ASP . . . . . 0.429 ' OD2' ' OD2' ' B' ' 63' ' ' ASP . 98.2 m-20 -63.01 -37.1 85.83 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.047 -1.266 . . . . 0.0 109.204 179.749 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 95.38 -7.9 69.05 Favored Glycine 0 N--CA 1.496 2.678 0 N-CA-C 109.866 -1.294 . . . . 0.0 109.866 179.871 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 64.8 mm-40 -134.9 147.56 49.86 Favored 'General case' 0 N--CA 1.498 1.967 0 O-C-N 121.316 -1.108 . . . . 0.0 109.381 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 68' ' ' CYS . . . . . . . . . . . . . 2.0 m -99.35 118.36 35.83 Favored 'General case' 0 N--CA 1.499 2.002 0 O-C-N 121.367 -0.833 . . . . 0.0 109.942 -179.554 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 2.4 p-10 -90.34 179.53 5.86 Favored 'General case' 0 N--CA 1.494 1.74 0 O-C-N 121.457 -0.777 . . . . 0.0 109.966 179.665 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 70' ' ' PHE . . . . . 0.618 ' CE2' ' CE1' ' B' ' 14' ' ' PHE . 0.2 OUTLIER -60.01 -45.19 93.55 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.425 -0.797 . . . . 0.0 110.077 -179.65 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 70.9 tp60 -60.02 -47.3 86.39 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 120.9 -1.125 . . . . 0.0 109.036 -179.248 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 85.2 mt-10 -61.68 -39.93 93.18 Favored 'General case' 0 N--CA 1.488 1.437 0 O-C-N 121.018 -1.051 . . . . 0.0 109.378 179.294 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 73' ' ' PHE . . . . . . . . . . . . . 53.3 t80 -60.04 -50.03 75.34 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 120.999 -1.063 . . . . 0.0 109.397 179.463 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 74' ' ' MET . . . . . . . . . . . . . 54.8 tpp -60.33 -40.13 89.52 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.32 -0.862 . . . . 0.0 109.462 179.392 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -59.51 -39.29 83.37 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.281 -0.887 . . . . 0.0 109.74 -178.871 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 64.6 t80 -60.0 -46.41 89.56 Favored 'General case' 0 C--N 1.302 -1.486 0 O-C-N 121.112 -0.992 . . . . 0.0 108.826 179.738 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 77' ' ' VAL . . . . . . . . . . . . . 54.2 t -63.9 -40.68 89.93 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.506 0 O-C-N 121.316 -0.865 . . . . 0.0 109.033 179.306 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 78' ' ' SER . . . . . . . . . . . . . 33.7 t -61.64 -44.34 97.16 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.321 -0.862 . . . . 0.0 110.522 -179.686 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 79' ' ' MET . . . . . . . . . . . . . 28.4 ttt -60.09 -41.21 91.99 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.22 -0.925 . . . . 0.0 110.521 -178.922 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 61.6 t -66.08 -39.93 85.8 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.571 0 O-C-N 121.307 -0.871 . . . . 0.0 109.138 -179.893 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 63.3 m -59.84 -46.84 88.02 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.383 -0.823 . . . . 0.0 110.153 -179.508 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 41.0 p -68.04 -39.95 82.97 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 120.88 -1.137 . . . . 0.0 109.672 -179.735 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 83' ' ' ALA . . . . . 0.409 ' O ' ' C ' ' B' ' 84' ' ' CYS . . . -61.66 -40.04 93.52 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.243 -0.911 . . . . 0.0 110.098 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 84' ' ' CYS . . . . . 0.409 ' C ' ' O ' ' B' ' 83' ' ' ALA . 74.7 m -39.99 159.76 0.01 OUTLIER 'General case' 0 N--CA 1.498 1.961 0 O-C-N 121.588 -0.695 . . . . 0.0 110.502 -179.15 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 85' ' ' HIS . . . . . . . . . . . . . 91.8 m-70 -94.28 96.81 9.81 Favored 'General case' 0 N--CA 1.494 1.758 0 O-C-N 121.325 -0.859 . . . . 0.0 109.742 -179.348 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 43.66 -154.77 0.02 OUTLIER 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.516 -0.74 . . . . 0.0 109.843 179.335 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 87' ' ' PHE . . . . . . . . . . . . . 51.4 p90 -87.42 132.36 34.01 Favored 'General case' 0 N--CA 1.494 1.761 0 O-C-N 121.005 -1.059 . . . . 0.0 109.369 179.758 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 5.8 m-85 . . . . . 0 N--CA 1.492 1.638 0 O-C-N 120.979 -1.075 . . . . 0.0 108.368 179.699 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 75.6 p . . . . . 0 N--CA 1.503 2.197 0 CA-C-O 121.172 0.51 . . . . 0.0 110.041 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 79.0 mm-40 -61.54 -40.0 93.09 Favored 'General case' 0 C--N 1.299 -1.61 0 O-C-N 121.025 -1.047 . . . . 0.0 110.696 -179.097 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 3' ' ' LEU . . . . . 0.422 HD13 ' O ' ' A' ' 3' ' ' LEU . 0.3 OUTLIER -54.3 -54.14 44.26 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 120.941 -1.099 . . . . 0.0 109.611 -178.369 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 23.0 pt-20 -64.67 -31.51 72.76 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 120.793 -1.192 . . . . 0.0 110.933 -179.495 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 22.9 tptm -60.6 -40.34 91.43 Favored 'General case' 0 N--CA 1.495 1.793 0 O-C-N 120.525 -1.359 . . . . 0.0 108.986 179.657 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -59.8 -39.88 86.47 Favored 'General case' 0 C--N 1.301 -1.533 0 O-C-N 121.528 -0.733 . . . . 0.0 109.466 -179.683 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 48.3 ttm -60.4 -41.98 94.98 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.107 -0.996 . . . . 0.0 109.46 -179.597 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 53.0 t -67.02 -40.84 86.4 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.659 0 O-C-N 121.261 -0.899 . . . . 0.0 110.15 -179.453 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.38 -45.08 95.86 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 120.992 -1.067 . . . . 0.0 110.545 -178.971 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 33.9 tp -59.98 -48.74 80.47 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.0 -1.062 . . . . 0.0 108.969 -179.284 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 90.5 mt -68.59 -43.63 83.34 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.528 0 O-C-N 121.299 -0.876 . . . . 0.0 109.835 -179.8 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 12' ' ' ASP . . . . . 0.522 ' O ' ' NE2' ' A' ' 16' ' ' GLN . 7.5 t70 -60.5 -49.2 78.49 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.403 -0.811 . . . . 0.0 110.95 -179.289 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 55.1 t -68.22 -42.38 84.62 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.549 0 O-C-N 121.222 -0.924 . . . . 0.0 109.812 -179.284 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 14' ' ' PHE . . . . . 0.446 ' CE1' HD21 ' A' ' 27' ' ' LEU . 16.6 t80 -60.2 -49.76 76.35 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.378 -0.826 . . . . 0.0 111.522 -179.002 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 61.4 m80 -70.61 -41.29 72.46 Favored 'General case' 0 C--N 1.3 -1.568 0 O-C-N 120.972 -1.08 . . . . 0.0 111.298 -178.546 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 16' ' ' GLN . . . . . 0.524 ' OE1' ' N ' ' A' ' 16' ' ' GLN . 0.8 OUTLIER -64.15 -42.01 96.94 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.004 -1.06 . . . . 0.0 110.304 -179.226 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -73.31 -38.94 65.67 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 121.323 -0.861 . . . . 0.0 109.572 -179.776 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 18' ' ' SER . . . . . 0.521 ' C ' ' H ' ' A' ' 20' ' ' ARG . 91.6 p -60.98 -19.99 61.85 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 121.134 -0.979 . . . . 0.0 110.835 -179.056 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -68.44 26.98 0.27 Allowed Glycine 0 N--CA 1.492 2.431 0 N-CA-C 110.353 -1.099 . . . . 0.0 110.353 -179.702 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 20' ' ' ARG . . . . . 0.521 ' H ' ' C ' ' A' ' 18' ' ' SER . 14.3 mmm180 -60.26 -41.45 93.27 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 120.849 -1.383 . . . . 0.0 110.061 179.901 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.584 ' O ' ' N ' ' A' ' 23' ' ' ASP . 10.6 tp10 -157.85 103.47 1.89 Allowed 'General case' 0 N--CA 1.494 1.743 0 O-C-N 121.142 -0.974 . . . . 0.0 110.678 -179.025 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 57.94 -63.51 0.01 OUTLIER Glycine 0 N--CA 1.5 2.914 0 C-N-CA 120.96 -0.638 . . . . 0.0 111.591 178.455 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 23' ' ' ASP . . . . . 0.584 ' N ' ' O ' ' A' ' 21' ' ' GLU . 24.4 p-10 -61.84 129.23 39.97 Favored 'General case' 0 C--N 1.302 -1.463 0 O-C-N 120.83 -1.394 . . . . 0.0 109.802 -178.796 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 19.2 pttp -119.09 -7.75 10.29 Favored 'General case' 0 N--CA 1.496 1.851 0 O-C-N 121.719 -0.613 . . . . 0.0 110.059 -179.837 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 41.8 p-80 -136.34 17.39 3.17 Favored 'General case' 0 N--CA 1.502 2.139 0 O-C-N 121.15 -0.969 . . . . 0.0 111.127 -178.975 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.435 ' C ' HD22 ' A' ' 27' ' ' LEU . 19.3 ttmm -141.01 145.26 35.69 Favored 'General case' 0 N--CA 1.5 2.026 0 O-C-N 120.815 -1.178 . . . . 0.0 109.613 -179.8 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.813 HD22 ' N ' ' A' ' 27' ' ' LEU . 1.2 mm? -108.57 135.88 49.09 Favored 'General case' 0 N--CA 1.498 1.93 0 N-CA-C 108.574 -0.898 . . . . 0.0 108.574 179.277 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.437 ' H ' ' HB3' ' A' ' 31' ' ' GLU . 8.6 mtmp? -98.59 -178.96 4.16 Favored 'General case' 0 N--CA 1.496 1.832 0 O-C-N 121.485 -0.759 . . . . 0.0 109.105 179.144 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 46.9 mttp -61.32 -55.35 32.73 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.199 -0.938 . . . . 0.0 110.485 -178.733 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 58.8 m -66.58 -40.23 88.85 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.4 -0.813 . . . . 0.0 110.579 -179.022 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 31' ' ' GLU . . . . . 0.437 ' HB3' ' H ' ' A' ' 28' ' ' LYS . 88.6 tt0 -60.92 -40.14 92.08 Favored 'General case' 0 N--CA 1.495 1.803 0 O-C-N 121.31 -0.869 . . . . 0.0 110.989 -178.467 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.567 ' O ' HD23 ' A' ' 32' ' ' LEU . 1.6 tt -60.88 -41.72 96.57 Favored 'General case' 0 C--N 1.302 -1.457 0 O-C-N 120.995 -1.066 . . . . 0.0 109.705 -178.547 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.09 -44.44 94.79 Favored 'General case' 0 N--CA 1.495 1.795 0 O-C-N 120.568 -1.333 . . . . 0.0 110.087 -179.939 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 54.6 tp10 -61.0 -39.76 90.94 Favored 'General case' 0 N--CA 1.494 1.746 0 O-C-N 121.479 -0.763 . . . . 0.0 110.314 -179.258 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.575 ' O ' HD23 ' A' ' 35' ' ' LEU . 3.2 tt -61.23 -48.48 81.29 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.155 -0.965 . . . . 0.0 110.091 -178.728 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.473 ' O ' ' O ' ' A' ' 40' ' ' LEU . 96.8 mt -61.49 -43.13 96.31 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.68 0 O-C-N 121.235 -0.916 . . . . 0.0 111.133 -178.88 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 14.5 t-20 -62.48 -39.54 93.77 Favored 'General case' 0 N--CA 1.495 1.814 0 O-C-N 120.5 -1.375 . . . . 0.0 111.113 -178.825 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 31.9 m120 -72.44 -67.95 0.51 Allowed 'General case' 0 N--CA 1.492 1.673 0 O-C-N 120.671 -1.268 . . . . 0.0 111.886 -177.824 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 41.2 mt-10 -90.1 -79.39 0.34 Allowed 'General case' 0 N--CA 1.502 2.131 0 O-C-N 120.883 -1.136 . . . . 0.0 113.38 -177.06 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.473 ' O ' ' O ' ' A' ' 36' ' ' ILE . 0.4 OUTLIER -64.52 104.17 0.76 Allowed 'General case' 0 N--CA 1.496 1.849 0 O-C-N 120.805 -1.185 . . . . 0.0 110.69 -176.904 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 28.3 t -158.68 -16.56 0.07 Allowed 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.297 -0.877 . . . . 0.0 109.254 179.057 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 10.3 t60 -62.5 -49.69 74.37 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.395 -0.815 . . . . 0.0 110.377 -179.239 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 81.5 m-85 -70.04 -39.44 75.75 Favored 'General case' 0 N--CA 1.496 1.83 0 O-C-N 121.061 -1.024 . . . . 0.0 110.992 -179.294 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 76.2 mt -103.45 120.29 40.53 Favored 'General case' 0 N--CA 1.498 1.962 0 O-C-N 121.214 -0.929 . . . . 0.0 109.851 -178.967 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -107.68 -0.38 21.88 Favored 'General case' 0 N--CA 1.496 1.858 0 O-C-N 121.522 -0.736 . . . . 0.0 109.68 179.919 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 -81.25 -142.83 0.04 OUTLIER 'General case' 0 N--CA 1.499 2.002 0 O-C-N 120.928 -1.108 . . . . 0.0 110.871 -178.877 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 5.6 mt 63.06 78.76 0.07 OUTLIER 'Isoleucine or valine' 0 N--CA 1.5 2.047 0 O-C-N 121.424 -0.797 . . . . 0.0 109.212 -178.312 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 28.0 tptp -108.11 -24.31 11.61 Favored 'General case' 0 N--CA 1.5 2.046 0 O-C-N 121.439 -0.788 . . . . 0.0 110.299 -179.824 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 79.5 mm-40 -129.99 155.98 45.2 Favored 'General case' 0 N--CA 1.5 2.067 0 O-C-N 121.337 -0.852 . . . . 0.0 109.842 -179.409 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 50' ' ' GLN . . . . . 0.535 ' CD ' ' H ' ' A' ' 50' ' ' GLN . 8.5 mp0 -63.09 -31.0 72.04 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.549 -0.719 . . . . 0.0 109.194 179.898 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 51' ' ' GLU . . . . . 0.4 ' CD ' ' H ' ' A' ' 51' ' ' GLU . 13.5 mp0 -59.88 -39.42 85.25 Favored 'General case' 0 N--CA 1.494 1.746 0 O-C-N 121.157 -0.965 . . . . 0.0 109.04 179.895 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 56.0 t -59.72 -41.09 84.23 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.707 0 O-C-N 121.073 -1.017 . . . . 0.0 109.518 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 54.2 t -60.36 -40.22 83.32 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.832 0 O-C-N 121.073 -1.017 . . . . 0.0 109.313 179.633 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 9.5 t70 -59.74 -43.33 94.27 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.417 -0.802 . . . . 0.0 109.356 -178.571 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 25.1 ttpp -61.46 -40.0 92.91 Favored 'General case' 0 C--N 1.3 -1.576 0 O-C-N 121.043 -1.036 . . . . 0.0 108.36 179.258 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 53.0 t -69.88 -40.54 78.96 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.351 0 O-C-N 121.21 -0.931 . . . . 0.0 109.641 -179.918 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 12.6 tpt -60.37 -40.67 91.63 Favored 'General case' 0 N--CA 1.496 1.847 0 O-C-N 121.043 -1.035 . . . . 0.0 110.656 -179.584 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 48.2 mt-10 -61.94 -41.57 98.11 Favored 'General case' 0 N--CA 1.495 1.812 0 O-C-N 120.883 -1.135 . . . . 0.0 109.778 -179.288 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 85.3 m -70.04 -41.77 73.78 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.192 -0.942 . . . . 0.0 109.752 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.404 ' O ' ' N ' ' A' ' 62' ' ' GLU . 55.8 tp -66.87 -41.27 87.58 Favored 'General case' 0 N--CA 1.495 1.819 0 O-C-N 121.069 -1.019 . . . . 0.0 110.036 -179.354 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 37.7 t70 -71.13 62.44 0.31 Allowed 'General case' 0 N--CA 1.49 1.551 0 O-C-N 120.914 -1.116 . . . . 0.0 109.975 -179.246 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 62' ' ' GLU . . . . . 0.404 ' N ' ' O ' ' A' ' 60' ' ' LEU . 78.9 tt0 -69.78 -35.72 75.12 Favored 'General case' 0 N--CA 1.489 1.487 0 N-CA-C 108.864 -0.791 . . . . 0.0 108.864 178.556 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 74.9 m-20 -59.55 -26.53 65.44 Favored 'General case' 0 C--N 1.305 -1.341 0 O-C-N 121.485 -0.76 . . . . 0.0 109.591 -179.293 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 80.07 17.9 73.39 Favored Glycine 0 N--CA 1.49 2.266 0 N-CA-C 109.087 -1.605 . . . . 0.0 109.087 -179.752 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 45.2 p-10 -93.43 -12.98 28.55 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.332 -1.099 . . . . 0.0 109.38 -179.86 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 76.34 6.56 83.9 Favored Glycine 0 N--CA 1.49 2.247 0 C-N-CA 120.047 -1.073 . . . . 0.0 110.577 178.758 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 74.3 mm-40 -139.01 149.84 45.14 Favored 'General case' 0 N--CA 1.496 1.851 0 O-C-N 121.223 -1.163 . . . . 0.0 109.051 -179.86 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 43.3 t -95.64 117.79 31.12 Favored 'General case' 0 N--CA 1.5 2.053 0 O-C-N 121.052 -1.03 . . . . 0.0 109.01 179.205 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 98.1 m-20 -89.95 170.66 10.18 Favored 'General case' 0 N--CA 1.498 1.946 0 O-C-N 121.512 -0.743 . . . . 0.0 109.627 -179.437 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 70.1 t80 -59.68 -49.05 79.26 Favored 'General case' 0 N--CA 1.494 1.745 0 O-C-N 120.961 -1.087 . . . . 0.0 109.561 -179.824 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 14.8 pt20 -60.2 -40.01 88.57 Favored 'General case' 0 C--N 1.304 -1.38 0 O-C-N 121.087 -1.008 . . . . 0.0 109.124 179.636 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -66.4 -39.51 89.07 Favored 'General case' 0 N--CA 1.489 1.522 0 N-CA-C 109.223 -0.658 . . . . 0.0 109.223 179.055 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 68.7 t80 -60.45 -39.63 88.24 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.179 -0.951 . . . . 0.0 109.505 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 25.0 tpp -59.92 -40.13 87.83 Favored 'General case' 0 N--CA 1.493 1.723 0 N-CA-C 108.007 -1.109 . . . . 0.0 108.007 179.559 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -60.0 -38.29 82.18 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.448 -0.783 . . . . 0.0 110.009 179.826 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 72.8 t80 -59.6 -45.49 91.77 Favored 'General case' 0 N--CA 1.494 1.746 0 O-C-N 121.051 -1.031 . . . . 0.0 109.548 -179.48 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 55.9 t -60.1 -42.13 88.89 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.551 0 O-C-N 121.16 -0.963 . . . . 0.0 108.767 179.469 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 85.5 p -69.05 -36.7 77.98 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.317 -0.864 . . . . 0.0 109.688 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 51.8 ttm -59.73 -40.64 88.71 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 120.971 -1.081 . . . . 0.0 110.15 -179.232 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 57.0 t -66.79 -39.94 84.78 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.476 0 C-N-CA 119.044 -1.062 . . . . 0.0 109.289 -179.697 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 92.4 m -69.64 -41.89 74.99 Favored 'General case' 0 C--N 1.301 -1.519 0 O-C-N 121.285 -0.884 . . . . 0.0 110.153 -179.257 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 27.4 p -62.27 -39.48 93.08 Favored 'General case' 0 N--CA 1.495 1.798 0 O-C-N 121.192 -0.943 . . . . 0.0 110.384 -179.672 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -59.92 -42.46 93.98 Favored 'General case' 0 C--N 1.299 -1.604 0 O-C-N 121.075 -1.015 . . . . 0.0 108.637 -179.406 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 71.2 m -80.99 137.23 36.08 Favored 'General case' 0 N--CA 1.494 1.748 0 O-C-N 121.136 -0.978 . . . . 0.0 109.183 178.391 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 23.0 p-80 -71.06 168.89 16.14 Favored 'General case' 0 N--CA 1.493 1.68 0 N-CA-C 108.041 -1.096 . . . . 0.0 108.041 179.34 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 81.8 tt0 -52.27 122.08 8.05 Favored 'General case' 0 N--CA 1.488 1.429 0 O-C-N 120.767 -1.208 . . . . 0.0 108.603 -179.616 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 67.2 t80 -152.76 106.95 3.12 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.197 -0.939 . . . . 0.0 110.16 -178.872 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 88' ' ' PHE . . . . . 0.588 ' CG ' ' O ' ' A' ' 88' ' ' PHE . 8.3 p90 . . . . . 0 N--CA 1.491 1.578 0 CA-C-O 121.76 0.791 . . . . 0.0 109.247 179.85 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 68.2 p . . . . . 0 N--CA 1.498 1.968 0 CA-C-O 121.207 0.527 . . . . 0.0 109.956 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 77.3 mm-40 -61.11 -39.98 92.03 Favored 'General case' 0 C--N 1.3 -1.573 0 O-C-N 121.301 -0.874 . . . . 0.0 110.685 -179.487 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 3' ' ' LEU . . . . . 0.437 HD13 ' O ' ' B' ' 3' ' ' LEU . 0.2 OUTLIER -54.62 -55.04 33.66 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.02 -1.05 . . . . 0.0 109.677 -178.463 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 23.4 pt-20 -63.8 -32.17 73.59 Favored 'General case' 0 C--N 1.299 -1.596 0 O-C-N 120.686 -1.259 . . . . 0.0 110.716 -179.543 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 23.2 tptm -60.46 -40.17 90.23 Favored 'General case' 0 N--CA 1.498 1.947 0 O-C-N 120.627 -1.296 . . . . 0.0 109.052 -179.884 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -59.83 -40.04 87.13 Favored 'General case' 0 C--N 1.301 -1.537 0 O-C-N 121.277 -0.889 . . . . 0.0 109.496 -179.837 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 7' ' ' MET . . . . . . . . . . . . . 49.4 ttm -60.02 -41.04 91.32 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.11 -0.993 . . . . 0.0 109.463 -179.894 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 55.1 t -68.08 -40.15 82.59 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.618 0 O-C-N 121.158 -0.964 . . . . 0.0 110.221 -179.497 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -62.36 -44.58 96.14 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.041 -1.037 . . . . 0.0 110.433 -179.298 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 28.2 tp -59.86 -48.55 81.26 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 120.904 -1.123 . . . . 0.0 109.126 -179.368 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 96.3 mt -69.09 -42.75 81.99 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.646 0 O-C-N 121.046 -1.034 . . . . 0.0 110.063 -179.653 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 12' ' ' ASP . . . . . 0.511 ' O ' ' NE2' ' B' ' 16' ' ' GLN . 7.4 t70 -60.99 -49.82 75.88 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.483 -0.761 . . . . 0.0 111.089 -179.229 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 55.8 t -67.82 -42.11 85.66 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.511 0 O-C-N 121.359 -0.838 . . . . 0.0 109.738 -179.561 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 14' ' ' PHE . . . . . 0.451 ' CE1' HD21 ' B' ' 27' ' ' LEU . 14.6 t80 -60.39 -49.68 76.62 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.496 -0.753 . . . . 0.0 111.151 -178.828 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 57.1 m80 -70.78 -41.37 71.76 Favored 'General case' 0 C--N 1.297 -1.677 0 O-C-N 120.991 -1.068 . . . . 0.0 111.165 -178.524 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 16' ' ' GLN . . . . . 0.521 ' N ' ' OE1' ' B' ' 16' ' ' GLN . 0.9 OUTLIER -63.97 -43.0 97.08 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.087 -1.008 . . . . 0.0 110.131 -179.257 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -72.48 -38.29 68.23 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.032 -1.042 . . . . 0.0 109.781 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 18' ' ' SER . . . . . 0.53 ' C ' ' H ' ' B' ' 20' ' ' ARG . 86.8 p -61.29 -20.13 62.54 Favored 'General case' 0 N--CA 1.496 1.866 0 O-C-N 121.156 -0.965 . . . . 0.0 110.834 -178.827 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -68.58 27.53 0.28 Allowed Glycine 0 N--CA 1.493 2.48 0 O-C-N 120.868 -1.145 . . . . 0.0 110.336 -179.699 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 20' ' ' ARG . . . . . 0.53 ' H ' ' C ' ' B' ' 18' ' ' SER . 14.8 mmm180 -60.08 -41.1 91.73 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 120.984 -1.303 . . . . 0.0 109.831 179.8 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 21' ' ' GLU . . . . . 0.57 ' O ' ' N ' ' B' ' 23' ' ' ASP . 12.3 tp10 -158.71 103.6 1.73 Allowed 'General case' 0 N--CA 1.493 1.683 0 O-C-N 120.921 -1.112 . . . . 0.0 110.531 -178.912 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . 59.32 -66.78 0.01 OUTLIER Glycine 0 N--CA 1.497 2.712 0 O-C-N 121.346 -0.846 . . . . 0.0 111.457 178.438 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 23' ' ' ASP . . . . . 0.57 ' N ' ' O ' ' B' ' 21' ' ' GLU . 26.1 p-10 -59.65 129.76 43.48 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 120.919 -1.342 . . . . 0.0 109.914 -178.67 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 24' ' ' LYS . . . . . 0.445 ' O ' ' OG ' ' B' ' 18' ' ' SER . 19.3 pttp -119.17 -7.83 10.24 Favored 'General case' 0 N--CA 1.496 1.826 0 O-C-N 121.773 -0.579 . . . . 0.0 109.985 179.703 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 25' ' ' HIS . . . . . . . . . . . . . 41.4 p-80 -136.09 17.77 3.22 Favored 'General case' 0 N--CA 1.499 2.017 0 O-C-N 121.016 -1.053 . . . . 0.0 111.138 -178.974 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 26' ' ' LYS . . . . . 0.453 ' C ' HD22 ' B' ' 27' ' ' LEU . 18.4 ttmm -141.66 144.59 34.21 Favored 'General case' 0 N--CA 1.498 1.95 0 O-C-N 120.931 -1.106 . . . . 0.0 110.107 -179.633 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 27' ' ' LEU . . . . . 0.837 ' N ' HD22 ' B' ' 27' ' ' LEU . 1.4 mm? -107.57 135.46 48.99 Favored 'General case' 0 N--CA 1.498 1.971 0 O-C-N 121.411 -0.805 . . . . 0.0 109.068 179.249 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 28' ' ' LYS . . . . . 0.457 ' H ' ' HB3' ' B' ' 31' ' ' GLU . 8.8 mtmp? -98.82 -179.33 4.25 Favored 'General case' 0 N--CA 1.497 1.878 0 N-CA-C 108.943 -0.762 . . . . 0.0 108.943 178.849 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 48.2 mttp -60.88 -54.76 41.1 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.074 -1.017 . . . . 0.0 110.542 -178.865 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 69.7 m -67.06 -40.19 87.04 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 121.344 -0.848 . . . . 0.0 110.515 -179.024 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 31' ' ' GLU . . . . . 0.457 ' HB3' ' H ' ' B' ' 28' ' ' LYS . 88.6 tt0 -60.96 -40.49 93.55 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.343 -0.848 . . . . 0.0 110.788 -178.393 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 32' ' ' LEU . . . . . 0.541 ' O ' HD23 ' B' ' 32' ' ' LEU . 1.5 tt -60.55 -41.81 95.3 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 120.866 -1.146 . . . . 0.0 110.002 -178.412 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.4 -43.89 96.24 Favored 'General case' 0 N--CA 1.497 1.897 0 O-C-N 120.688 -1.257 . . . . 0.0 110.094 -179.872 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 54.6 tp10 -61.21 -40.26 93.31 Favored 'General case' 0 N--CA 1.494 1.761 0 O-C-N 121.355 -0.841 . . . . 0.0 109.923 -179.384 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 35' ' ' LEU . . . . . 0.58 ' O ' HD23 ' B' ' 35' ' ' LEU . 2.8 tt -60.44 -48.48 81.56 Favored 'General case' 0 N--CA 1.495 1.782 0 O-C-N 121.238 -0.913 . . . . 0.0 110.354 -179.099 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 36' ' ' ILE . . . . . 0.446 ' O ' ' O ' ' B' ' 40' ' ' LEU . 97.6 mt -62.08 -42.08 93.62 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.576 0 O-C-N 121.148 -0.97 . . . . 0.0 111.108 -178.681 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 13.5 t-20 -63.51 -39.71 95.15 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 120.781 -1.199 . . . . 0.0 110.778 -178.469 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 32.8 m120 -71.51 -67.69 0.5 Allowed 'General case' 0 N--CA 1.492 1.636 0 O-C-N 120.95 -1.094 . . . . 0.0 112.194 -177.95 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -91.26 -79.82 0.36 Allowed 'General case' 0 N--CA 1.502 2.138 0 O-C-N 120.699 -1.251 . . . . 0.0 113.388 -176.996 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 40' ' ' LEU . . . . . 0.446 ' O ' ' O ' ' B' ' 36' ' ' ILE . 0.4 OUTLIER -62.84 103.23 0.42 Allowed 'General case' 0 N--CA 1.496 1.84 0 O-C-N 120.986 -1.072 . . . . 0.0 110.755 -177.193 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 24.6 t -158.69 -15.61 0.07 Allowed 'General case' 0 C--N 1.299 -1.591 0 C-N-CA 119.935 -0.706 . . . . 0.0 109.343 178.836 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 42' ' ' HIS . . . . . . . . . . . . . 10.8 t60 -62.59 -49.94 73.23 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.178 -0.951 . . . . 0.0 110.264 -179.32 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 82.2 m-85 -70.29 -39.19 75.02 Favored 'General case' 0 N--CA 1.495 1.795 0 O-C-N 121.369 -0.832 . . . . 0.0 111.047 -178.899 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 85.1 mt -103.11 120.62 41.02 Favored 'General case' 0 N--CA 1.496 1.873 0 O-C-N 121.074 -1.016 . . . . 0.0 109.593 -178.972 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -109.11 2.93 21.44 Favored 'General case' 0 N--CA 1.497 1.895 0 O-C-N 121.423 -0.798 . . . . 0.0 109.673 179.74 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 -84.45 -142.63 0.08 Allowed 'General case' 0 N--CA 1.496 1.843 0 O-C-N 120.891 -1.131 . . . . 0.0 110.498 -178.825 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 5.1 mt 63.39 79.83 0.07 OUTLIER 'Isoleucine or valine' 0 N--CA 1.497 1.892 0 O-C-N 121.395 -0.816 . . . . 0.0 109.039 -178.351 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 27.4 tptp -109.12 -24.07 11.34 Favored 'General case' 0 N--CA 1.501 2.119 0 O-C-N 121.557 -0.714 . . . . 0.0 110.145 -179.468 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 79.3 mm-40 -130.15 156.02 45.26 Favored 'General case' 0 N--CA 1.498 1.947 0 O-C-N 121.473 -0.767 . . . . 0.0 109.703 -179.305 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 50' ' ' GLN . . . . . 0.557 ' CD ' ' H ' ' B' ' 50' ' ' GLN . 8.1 mp0 -63.35 -30.33 71.48 Favored 'General case' 0 C--N 1.302 -1.465 0 O-C-N 121.443 -0.785 . . . . 0.0 108.883 179.699 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 14.3 mp0 -60.2 -39.07 85.25 Favored 'General case' 0 N--CA 1.495 1.81 0 O-C-N 121.104 -0.997 . . . . 0.0 109.251 179.714 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 54.5 t -60.29 -40.89 85.14 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.581 0 O-C-N 121.217 -0.927 . . . . 0.0 109.35 -179.835 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 53.0 t -61.0 -39.95 83.94 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.766 0 O-C-N 121.165 -0.959 . . . . 0.0 109.385 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 8.7 t70 -59.57 -41.75 90.93 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.287 -0.883 . . . . 0.0 109.356 -178.525 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 24.2 ttpp -62.73 -39.9 95.54 Favored 'General case' 0 N--CA 1.488 1.464 0 O-C-N 121.083 -1.011 . . . . 0.0 108.364 179.066 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 79.2 t -69.98 -40.83 79.09 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.41 0 O-C-N 121.232 -0.917 . . . . 0.0 109.681 179.854 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 57' ' ' MET . . . . . . . . . . . . . 13.1 tpt -60.46 -40.13 90.1 Favored 'General case' 0 N--CA 1.496 1.83 0 O-C-N 121.131 -0.98 . . . . 0.0 110.654 -179.279 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 48.0 mt-10 -62.33 -40.72 97.29 Favored 'General case' 0 N--CA 1.495 1.816 0 O-C-N 120.795 -1.191 . . . . 0.0 110.205 -179.427 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 89.6 m -71.09 -40.31 71.62 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.529 -0.732 . . . . 0.0 110.017 -179.816 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 58.8 tp -68.69 -39.83 80.33 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.226 -0.921 . . . . 0.0 109.986 -179.706 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 37.4 t70 -72.24 62.64 0.5 Allowed 'General case' 0 N--CA 1.488 1.461 0 O-C-N 121.119 -0.988 . . . . 0.0 109.747 -179.209 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 77.4 tt0 -70.2 -34.99 73.61 Favored 'General case' 0 N--CA 1.49 1.529 0 N-CA-C 108.845 -0.798 . . . . 0.0 108.845 178.809 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 74.7 m-20 -60.14 -27.65 67.25 Favored 'General case' 0 N--CA 1.488 1.449 0 O-C-N 121.301 -0.874 . . . . 0.0 109.505 -179.522 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 81.2 17.22 72.33 Favored Glycine 0 N--CA 1.487 2.1 0 N-CA-C 108.91 -1.676 . . . . 0.0 108.91 -179.603 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 47.0 p-10 -92.3 -12.87 31.32 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.294 -1.121 . . . . 0.0 109.653 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 76.48 7.11 85.18 Favored Glycine 0 N--CA 1.491 2.309 0 C-N-CA 119.844 -1.17 . . . . 0.0 110.488 178.622 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 74.2 mm-40 -139.94 149.46 43.33 Favored 'General case' 0 N--CA 1.498 1.929 0 O-C-N 121.339 -1.095 . . . . 0.0 108.865 -179.886 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 68' ' ' CYS . . . . . . . . . . . . . 48.1 t -95.82 118.23 32.07 Favored 'General case' 0 N--CA 1.499 1.993 0 O-C-N 121.062 -1.023 . . . . 0.0 109.013 179.174 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 98.0 m-20 -89.67 170.79 10.16 Favored 'General case' 0 N--CA 1.496 1.852 0 O-C-N 121.647 -0.658 . . . . 0.0 109.714 -179.431 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 71.3 t80 -59.84 -49.17 78.76 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.104 -0.998 . . . . 0.0 109.515 -179.894 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 14.2 pt20 -60.26 -40.13 89.25 Favored 'General case' 0 C--N 1.302 -1.496 0 O-C-N 121.046 -1.034 . . . . 0.0 108.984 179.665 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 83.4 tt0 -66.13 -40.04 90.33 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.499 -0.751 . . . . 0.0 109.364 179.08 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 73' ' ' PHE . . . . . . . . . . . . . 70.9 t80 -60.06 -39.72 86.98 Favored 'General case' 0 N--CA 1.495 1.806 0 O-C-N 121.312 -0.867 . . . . 0.0 109.482 179.723 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 74' ' ' MET . . . . . . . . . . . . . 29.0 tpp -59.95 -39.71 86.49 Favored 'General case' 0 N--CA 1.495 1.808 0 N-CA-C 107.942 -1.133 . . . . 0.0 107.942 179.508 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -60.66 -37.88 83.02 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.437 -0.789 . . . . 0.0 110.023 179.653 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 73.4 t80 -59.95 -45.02 93.99 Favored 'General case' 0 N--CA 1.495 1.803 0 O-C-N 121.018 -1.051 . . . . 0.0 109.476 -179.476 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 77' ' ' VAL . . . . . . . . . . . . . 55.6 t -60.38 -41.89 88.92 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.537 0 O-C-N 121.153 -0.967 . . . . 0.0 109.022 179.384 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 78' ' ' SER . . . . . . . . . . . . . 83.9 p -69.32 -36.34 76.85 Favored 'General case' 0 C--N 1.303 -1.456 0 O-C-N 121.375 -0.828 . . . . 0.0 109.857 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 79' ' ' MET . . . . . . . . . . . . . 51.4 ttm -59.73 -41.18 90.33 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 120.986 -1.071 . . . . 0.0 110.287 -179.441 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 57.5 t -66.42 -40.31 86.26 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.406 0 O-C-N 121.055 -1.028 . . . . 0.0 109.168 -179.339 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 92.6 m -69.43 -41.4 76.37 Favored 'General case' 0 C--N 1.3 -1.545 0 O-C-N 121.226 -0.921 . . . . 0.0 110.084 -179.494 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 22.8 p -62.86 -38.97 92.96 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.222 -0.924 . . . . 0.0 110.077 -179.428 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -60.06 -42.74 95.17 Favored 'General case' 0 C--N 1.301 -1.542 0 O-C-N 121.04 -1.038 . . . . 0.0 108.483 -179.438 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 84' ' ' CYS . . . . . . . . . . . . . 73.7 m -80.67 137.48 36.32 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.368 -0.832 . . . . 0.0 108.968 178.718 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 85' ' ' HIS . . . . . . . . . . . . . 19.7 p-80 -71.65 168.9 16.71 Favored 'General case' 0 N--CA 1.494 1.752 0 O-C-N 120.885 -1.134 . . . . 0.0 108.219 179.15 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 79.7 tt0 -52.44 121.82 7.71 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 120.862 -1.149 . . . . 0.0 108.411 -179.681 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 87' ' ' PHE . . . . . . . . . . . . . 68.6 t80 -153.08 106.68 3.04 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.32 -0.863 . . . . 0.0 109.888 -178.836 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 88' ' ' PHE . . . . . 0.581 ' CG ' ' O ' ' B' ' 88' ' ' PHE . 8.1 p90 . . . . . 0 N--CA 1.494 1.737 0 O-C-N 121.313 -0.867 . . . . 0.0 109.236 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 20.9 t . . . . . 0 N--CA 1.489 1.507 0 CA-C-O 121.44 0.638 . . . . 0.0 109.93 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 39.7 tt0 -60.1 -39.93 87.89 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.444 -0.785 . . . . 0.0 109.799 -179.736 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 57.1 mt -59.95 -37.06 78.46 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.168 -0.957 . . . . 0.0 109.618 -179.453 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 83.6 tt0 -59.98 -43.79 94.89 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 120.998 -1.064 . . . . 0.0 109.157 -179.586 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 61.0 mttp -68.43 -39.98 81.34 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 120.946 -1.096 . . . . 0.0 109.108 179.713 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -61.91 -47.42 85.01 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.313 -0.867 . . . . 0.0 109.263 179.821 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 43.9 tpp -60.01 -45.7 91.91 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.292 -0.88 . . . . 0.0 108.939 179.641 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 58.9 t -69.16 -40.9 81.09 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.5 0 O-C-N 121.567 -0.708 . . . . 0.0 109.574 -179.589 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -63.32 -44.47 94.87 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.269 -0.895 . . . . 0.0 110.131 -179.591 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 56.8 tp -60.07 -49.31 78.16 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.232 -0.918 . . . . 0.0 110.161 -179.483 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 96.9 mt -66.22 -40.0 85.77 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.486 0 O-C-N 121.105 -0.997 . . . . 0.0 110.074 -179.516 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 97.5 m-20 -60.27 -40.03 88.92 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.192 -0.943 . . . . 0.0 110.742 -179.268 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 54.5 t -68.75 -41.87 82.67 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.624 0 O-C-N 120.755 -1.215 . . . . 0.0 109.394 -179.414 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 80.7 t80 -60.04 -49.99 75.48 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.179 -0.95 . . . . 0.0 110.71 -179.774 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 20.4 t60 -65.02 -45.98 83.25 Favored 'General case' 0 N--CA 1.494 1.77 0 O-C-N 121.151 -0.968 . . . . 0.0 110.532 -179.049 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 11.4 tm0? -60.0 -41.38 91.96 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.165 -0.96 . . . . 0.0 110.161 -179.16 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 1.1 t80 -69.89 -40.08 75.87 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.1 -1.0 . . . . 0.0 109.423 -179.703 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 40.6 t -60.35 -39.93 88.92 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 121.309 -0.869 . . . . 0.0 109.584 -179.909 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -76.88 -9.43 86.59 Favored Glycine 0 N--CA 1.489 2.194 0 N-CA-C 110.233 -1.147 . . . . 0.0 110.233 -179.224 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -60.71 -42.64 97.63 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 120.994 -1.298 . . . . 0.0 108.553 179.919 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.468 ' OE1' ' N ' ' A' ' 22' ' ' GLY . 1.6 tm-20 -97.75 164.61 12.32 Favored 'General case' 0 N--CA 1.5 2.054 0 O-C-N 121.135 -0.978 . . . . 0.0 108.789 179.122 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 22' ' ' GLY . . . . . 0.468 ' N ' ' OE1' ' A' ' 21' ' ' GLU . . . -57.07 -23.89 48.54 Favored Glycine 0 N--CA 1.491 2.312 0 N-CA-C 110.459 -1.056 . . . . 0.0 110.459 -179.662 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 96.3 m-20 -79.98 86.08 5.51 Favored 'General case' 0 N--CA 1.497 1.898 0 O-C-N 120.884 -1.362 . . . . 0.0 110.217 -179.289 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 31.2 mtmm -70.69 -39.97 73.19 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.474 -0.766 . . . . 0.0 111.089 -179.929 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -68.6 -34.29 75.53 Favored 'General case' 0 N--CA 1.498 1.955 0 O-C-N 121.268 -0.895 . . . . 0.0 112.237 -177.193 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 15.9 ptpt -149.34 170.03 19.46 Favored 'General case' 0 N--CA 1.5 2.054 0 O-C-N 120.476 -1.39 . . . . 0.0 111.567 -177.636 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 4.7 mp -110.89 139.98 45.76 Favored 'General case' 0 N--CA 1.496 1.869 0 N-CA-C 109.069 -0.715 . . . . 0.0 109.069 179.805 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 11.5 pttp -101.5 -177.86 3.56 Favored 'General case' 0 N--CA 1.502 2.16 0 O-C-N 121.343 -0.848 . . . . 0.0 110.205 -179.761 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 25.3 pttm -60.0 -39.46 85.82 Favored 'General case' 0 N--CA 1.494 1.762 0 O-C-N 121.434 -0.791 . . . . 0.0 110.643 -178.759 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 71.4 p -60.0 -43.75 94.98 Favored 'General case' 0 C--N 1.303 -1.44 0 O-C-N 121.093 -1.004 . . . . 0.0 109.658 -178.976 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 75.8 mt-10 -66.69 -40.84 88.68 Favored 'General case' 0 N--CA 1.488 1.457 0 O-C-N 121.182 -0.949 . . . . 0.0 109.122 179.864 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 64.9 tp -64.07 -45.19 89.86 Favored 'General case' 0 N--CA 1.488 1.427 0 O-C-N 121.444 -0.785 . . . . 0.0 109.537 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 12.5 ttmm -60.02 -48.49 81.47 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.314 -0.866 . . . . 0.0 109.718 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 81.5 tt0 -62.25 -39.98 94.65 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.462 -0.774 . . . . 0.0 110.24 -179.534 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.468 ' O ' HD23 ' A' ' 35' ' ' LEU . 1.4 tt -54.1 -42.02 68.94 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.181 -0.95 . . . . 0.0 109.123 -178.574 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.476 ' O ' ' O ' ' A' ' 39' ' ' GLU . 44.1 mm -63.52 -40.87 90.66 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.59 0 O-C-N 120.976 -1.078 . . . . 0.0 109.581 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 41.1 t30 -61.0 -41.15 95.96 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 120.791 -1.193 . . . . 0.0 110.735 -179.588 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 33.0 m120 -78.91 -55.14 5.37 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.054 -1.029 . . . . 0.0 110.355 -179.096 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 39' ' ' GLU . . . . . 0.476 ' O ' ' O ' ' A' ' 36' ' ' ILE . 19.6 mp0 -109.86 171.51 7.41 Favored 'General case' 0 N--CA 1.503 2.212 0 O-C-N 121.367 -0.833 . . . . 0.0 109.055 179.405 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 43.7 mt 54.13 7.91 0.15 Allowed 'General case' 0 N--CA 1.488 1.455 0 O-C-N 121.599 -0.688 . . . . 0.0 110.027 179.491 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 41' ' ' SER . . . . . 0.43 ' O ' ' O ' ' A' ' 44' ' ' LEU . 78.8 p -64.19 -39.99 95.16 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 120.936 -1.102 . . . . 0.0 109.534 179.762 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 76.6 m80 -69.98 -39.95 75.65 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.06 -1.025 . . . . 0.0 109.148 179.339 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 43' ' ' PHE . . . . . 0.487 ' C ' HD12 ' A' ' 44' ' ' LEU . 80.9 m-85 -69.08 -39.12 79.26 Favored 'General case' 0 C--N 1.302 -1.467 0 N-CA-C 108.819 -0.808 . . . . 0.0 108.819 -179.758 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.487 HD12 ' C ' ' A' ' 43' ' ' PHE . 10.3 mp -115.68 118.77 34.0 Favored 'General case' 0 N--CA 1.501 2.081 0 N-CA-C 108.514 -0.921 . . . . 0.0 108.514 179.363 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 20.8 pt-20 -133.95 30.44 3.68 Favored 'General case' 0 N--CA 1.501 2.08 0 O-C-N 121.144 -0.973 . . . . 0.0 110.48 -179.632 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 62.0 tt0 -137.0 44.0 2.34 Favored 'General case' 0 N--CA 1.499 1.978 0 O-C-N 121.163 -0.961 . . . . 0.0 109.165 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 7.2 mm -109.68 124.72 66.63 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.034 0 O-C-N 121.526 -0.734 . . . . 0.0 109.434 -179.888 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 30.4 ttmt -156.24 -35.56 0.08 Allowed 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.273 -0.892 . . . . 0.0 109.412 179.385 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 77.6 mt-10 -99.78 140.0 34.62 Favored 'General case' 0 N--CA 1.496 1.847 0 O-C-N 121.216 -0.927 . . . . 0.0 109.337 -179.804 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 50' ' ' GLN . . . . . 0.778 ' H ' ' NE2' ' A' ' 50' ' ' GLN . 0.0 OUTLIER -69.73 -21.19 63.49 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.222 -0.924 . . . . 0.0 109.791 -179.748 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 57.4 mm-40 -59.89 -40.14 87.74 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.304 -0.872 . . . . 0.0 109.145 -179.829 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 78.4 t -64.37 -47.44 89.52 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.412 0 O-C-N 121.202 -0.936 . . . . 0.0 108.727 179.19 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 62.1 t -64.46 -47.42 89.4 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.494 0 O-C-N 121.485 -0.759 . . . . 0.0 109.052 179.816 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 7.1 t70 -59.98 -46.88 87.99 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.394 -0.816 . . . . 0.0 110.021 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 86.2 tttt -60.02 -45.67 92.02 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.195 -0.94 . . . . 0.0 109.334 -179.624 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 54.4 t -60.82 -43.9 96.45 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.458 0 O-C-N 121.31 -0.869 . . . . 0.0 109.288 179.302 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 50.5 ttm -60.03 -46.3 89.98 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.309 -0.869 . . . . 0.0 109.447 179.808 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 86.9 tt0 -60.32 -41.57 93.78 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.294 -0.879 . . . . 0.0 109.446 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 99.4 m -68.16 -40.54 82.3 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.346 -0.846 . . . . 0.0 109.562 179.524 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 6.4 tp -75.71 -30.93 59.45 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.349 -0.845 . . . . 0.0 110.125 -179.624 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 97.6 m-20 -58.54 125.51 23.66 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.029 -1.044 . . . . 0.0 109.524 -178.919 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 78.5 mm-40 -96.57 -34.37 11.46 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.353 -0.842 . . . . 0.0 108.757 179.486 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 34.4 p-10 -104.0 -6.41 21.24 Favored 'General case' 0 N--CA 1.497 1.887 0 O-C-N 121.475 -0.765 . . . . 0.0 110.389 -179.668 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 70.1 37.75 72.92 Favored Glycine 0 N--CA 1.493 2.472 0 C-N-CA 119.757 -1.211 . . . . 0.0 110.604 179.417 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 45.2 p-10 -80.22 -12.46 59.63 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 120.837 -1.39 . . . . 0.0 109.464 179.93 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 75.69 9.56 84.85 Favored Glycine 0 N--CA 1.493 2.497 0 C-N-CA 120.212 -0.995 . . . . 0.0 110.865 178.858 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 49.9 mt-10 -143.69 160.31 40.93 Favored 'General case' 0 N--CA 1.497 1.914 0 O-C-N 120.931 -1.335 . . . . 0.0 109.75 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 14.6 t -89.05 106.5 18.47 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.356 -0.84 . . . . 0.0 108.996 179.701 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 94.8 m-20 -90.89 -176.89 4.8 Favored 'General case' 0 N--CA 1.491 1.607 0 N-CA-C 109.323 -0.621 . . . . 0.0 109.323 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 2.8 t80 -60.0 -41.03 91.21 Favored 'General case' 0 C--N 1.302 -1.487 0 O-C-N 121.212 -0.93 . . . . 0.0 109.245 -179.098 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -69.94 -40.09 75.7 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.104 -0.998 . . . . 0.0 109.96 179.455 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 54.9 mm-40 -59.98 -41.41 91.92 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.088 -1.007 . . . . 0.0 109.403 -179.894 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 62.9 t80 -60.29 -44.54 95.28 Favored 'General case' 0 C--N 1.304 -1.399 0 O-C-N 121.201 -0.937 . . . . 0.0 108.753 179.58 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 74' ' ' MET . . . . . 0.476 ' SD ' HG21 ' B' ' 81' ' ' THR . 11.4 tpt -63.07 -40.08 96.62 Favored 'General case' 0 N--CA 1.488 1.455 0 O-C-N 121.588 -0.695 . . . . 0.0 109.271 179.848 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -61.28 -40.8 95.45 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.37 -0.831 . . . . 0.0 109.949 -179.688 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 62.5 t80 -59.95 -45.99 90.87 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.221 -0.924 . . . . 0.0 109.872 -179.348 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 69.8 t -63.1 -40.02 87.44 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.657 0 O-C-N 121.166 -0.959 . . . . 0.0 109.493 179.929 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 47.0 t -59.95 -40.04 87.6 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.292 -0.88 . . . . 0.0 110.515 -179.173 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 98.4 mmm -59.98 -44.11 94.69 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 120.973 -1.079 . . . . 0.0 109.369 -179.164 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 54.5 t -70.01 -43.51 79.2 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.552 0 O-C-N 121.218 -0.926 . . . . 0.0 109.39 179.488 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 81' ' ' THR . . . . . 0.447 HG21 ' SD ' ' B' ' 74' ' ' MET . 94.6 m -60.87 -42.12 97.27 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.535 -0.728 . . . . 0.0 111.234 -179.039 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 64.5 p -69.98 -28.55 65.62 Favored 'General case' 0 C--N 1.299 -1.612 0 O-C-N 120.822 -1.174 . . . . 0.0 109.79 -179.245 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -73.23 -19.55 61.06 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.308 -0.87 . . . . 0.0 110.927 -179.437 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 84' ' ' CYS . . . . . 0.55 ' SG ' ' O ' ' A' ' 84' ' ' CYS . 19.0 p -65.93 105.4 1.31 Allowed 'General case' 0 N--CA 1.493 1.696 0 O-C-N 120.734 -1.229 . . . . 0.0 110.38 -178.971 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 64.3 m-70 -103.54 57.18 0.74 Allowed 'General case' 0 N--CA 1.497 1.876 0 O-C-N 121.253 -0.905 . . . . 0.0 108.634 179.326 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 77.3 mm-40 58.6 19.95 7.18 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.723 -0.611 . . . . 0.0 109.443 -179.638 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 1.4 m-85 -87.32 -10.82 51.25 Favored 'General case' 0 N--CA 1.496 1.841 0 N-CA-C 108.674 -0.862 . . . . 0.0 108.674 179.336 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 28.7 m-85 . . . . . 0 N--CA 1.491 1.603 0 O-C-N 121.435 -0.79 . . . . 0.0 109.149 179.822 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 20.1 t . . . . . 0 N--CA 1.489 1.513 0 CA-C-O 121.494 0.664 . . . . 0.0 109.883 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 39.7 tt0 -60.03 -39.89 87.45 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.374 -0.828 . . . . 0.0 109.761 -179.781 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 56.6 mt -59.99 -36.98 78.35 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.274 -0.891 . . . . 0.0 109.58 -179.322 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 83.5 tt0 -59.93 -43.94 94.63 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 120.969 -1.082 . . . . 0.0 109.099 -179.564 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 61.1 mttp -68.25 -40.04 82.08 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.026 -1.046 . . . . 0.0 109.204 179.622 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -61.84 -47.7 83.86 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.306 -0.871 . . . . 0.0 109.238 179.766 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 7' ' ' MET . . . . . . . . . . . . . 45.1 tpp -60.09 -45.7 92.06 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.234 -0.916 . . . . 0.0 108.945 179.691 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 60.5 t -69.0 -40.99 81.56 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.484 0 O-C-N 121.541 -0.725 . . . . 0.0 109.593 -179.703 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -63.29 -44.48 94.91 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.273 -0.892 . . . . 0.0 110.165 -179.595 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 56.9 tp -60.02 -49.5 77.41 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.241 -0.912 . . . . 0.0 110.036 -179.504 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 97.4 mt -66.07 -39.91 85.77 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.539 0 O-C-N 121.218 -0.926 . . . . 0.0 110.118 -179.331 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 97.4 m-20 -60.29 -40.15 89.42 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.204 -0.935 . . . . 0.0 110.781 -179.252 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 53.1 t -68.71 -41.99 82.85 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.57 0 O-C-N 120.759 -1.213 . . . . 0.0 109.39 -179.484 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 14' ' ' PHE . . . . . . . . . . . . . 79.9 t80 -60.02 -49.98 75.53 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.198 -0.939 . . . . 0.0 110.675 -179.79 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 20.0 t60 -64.87 -45.95 83.88 Favored 'General case' 0 N--CA 1.494 1.739 0 O-C-N 121.032 -1.042 . . . . 0.0 110.552 -179.127 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 11.5 tm0? -60.08 -41.25 92.04 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.218 -0.926 . . . . 0.0 110.179 -179.092 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 1.1 t80 -70.19 -39.98 74.9 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.206 -0.934 . . . . 0.0 109.373 -179.737 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 41.4 t -60.33 -40.01 89.1 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.197 -0.939 . . . . 0.0 109.589 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -76.57 -9.94 85.96 Favored Glycine 0 N--CA 1.49 2.243 0 N-CA-C 110.141 -1.184 . . . . 0.0 110.141 -179.185 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -60.15 -43.14 95.99 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.091 -1.241 . . . . 0.0 108.685 179.905 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 21' ' ' GLU . . . . . 0.456 ' OE1' ' N ' ' B' ' 22' ' ' GLY . 1.6 tm-20 -97.48 164.75 12.31 Favored 'General case' 0 N--CA 1.499 2.0 0 O-C-N 121.09 -1.007 . . . . 0.0 108.895 179.18 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 22' ' ' GLY . . . . . 0.456 ' N ' ' OE1' ' B' ' 21' ' ' GLU . . . -57.01 -24.16 49.37 Favored Glycine 0 N--CA 1.492 2.383 0 N-CA-C 110.417 -1.073 . . . . 0.0 110.417 -179.745 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 96.1 m-20 -80.13 86.18 5.6 Favored 'General case' 0 N--CA 1.497 1.885 0 O-C-N 120.881 -1.364 . . . . 0.0 110.181 -179.2 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 32.2 mtmm -70.63 -39.91 73.44 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.609 -0.682 . . . . 0.0 111.07 179.92 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 25' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -68.54 -34.28 75.57 Favored 'General case' 0 N--CA 1.496 1.873 0 O-C-N 121.279 -0.888 . . . . 0.0 112.194 -177.197 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 16.2 ptpt -149.39 169.91 19.77 Favored 'General case' 0 N--CA 1.5 2.055 0 O-C-N 120.42 -1.425 . . . . 0.0 111.579 -177.582 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 4.7 mp -110.86 139.86 45.82 Favored 'General case' 0 N--CA 1.495 1.781 0 N-CA-C 109.095 -0.706 . . . . 0.0 109.095 179.93 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 11.7 pttp -101.56 -177.87 3.56 Favored 'General case' 0 N--CA 1.502 2.125 0 O-C-N 121.283 -0.885 . . . . 0.0 110.246 -179.777 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 25.6 pttm -59.91 -39.34 85.11 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.382 -0.824 . . . . 0.0 110.618 -178.855 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 82.7 p -59.98 -43.87 94.86 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.012 -1.055 . . . . 0.0 109.656 -179.05 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 77.1 mt-10 -66.72 -40.64 88.48 Favored 'General case' 0 N--CA 1.488 1.451 0 O-C-N 121.155 -0.966 . . . . 0.0 109.161 179.869 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 59.8 tp -64.24 -45.49 87.94 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 121.555 -0.716 . . . . 0.0 109.281 -179.801 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 12.9 ttmm -60.02 -48.36 82.04 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.218 -0.926 . . . . 0.0 109.774 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 82.3 tt0 -62.31 -40.03 94.99 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.378 -0.826 . . . . 0.0 110.206 -179.581 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 35' ' ' LEU . . . . . 0.436 ' O ' HD23 ' B' ' 35' ' ' LEU . 1.4 tt -54.05 -41.85 68.59 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.249 -0.907 . . . . 0.0 109.307 -178.68 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 36' ' ' ILE . . . . . 0.477 ' O ' ' O ' ' B' ' 39' ' ' GLU . 37.3 mm -63.92 -40.49 89.25 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.658 0 O-C-N 120.897 -1.127 . . . . 0.0 109.56 179.934 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 41.5 t30 -61.07 -41.02 95.85 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 120.895 -1.128 . . . . 0.0 110.629 -179.572 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 32.7 m120 -79.08 -55.1 5.37 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.039 -1.038 . . . . 0.0 110.278 -179.033 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 39' ' ' GLU . . . . . 0.477 ' O ' ' O ' ' B' ' 36' ' ' ILE . 19.3 mp0 -109.81 171.44 7.44 Favored 'General case' 0 N--CA 1.504 2.244 0 O-C-N 121.382 -0.824 . . . . 0.0 109.061 179.451 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 45.2 mt 54.05 7.88 0.14 Allowed 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.622 -0.674 . . . . 0.0 110.049 179.556 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 41' ' ' SER . . . . . 0.433 ' O ' ' O ' ' B' ' 44' ' ' LEU . 80.9 p -64.02 -40.04 95.45 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 120.956 -1.09 . . . . 0.0 109.472 179.91 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 42' ' ' HIS . . . . . . . . . . . . . 76.8 m80 -69.96 -39.89 75.74 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.115 -0.991 . . . . 0.0 109.296 179.287 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 43' ' ' PHE . . . . . 0.49 ' C ' HD12 ' B' ' 44' ' ' LEU . 79.7 m-85 -69.12 -39.25 79.03 Favored 'General case' 0 C--N 1.302 -1.499 0 N-CA-C 108.718 -0.845 . . . . 0.0 108.718 -179.726 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 44' ' ' LEU . . . . . 0.49 HD12 ' C ' ' B' ' 43' ' ' PHE . 10.4 mp -115.48 118.65 33.76 Favored 'General case' 0 N--CA 1.502 2.143 0 N-CA-C 108.504 -0.924 . . . . 0.0 108.504 179.395 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 20.8 pt-20 -133.87 30.39 3.71 Favored 'General case' 0 N--CA 1.501 2.115 0 O-C-N 121.21 -0.931 . . . . 0.0 110.435 -179.628 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 61.3 tt0 -137.06 43.77 2.35 Favored 'General case' 0 N--CA 1.498 1.94 0 O-C-N 121.142 -0.974 . . . . 0.0 109.313 -179.937 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 7.2 mm -109.68 124.56 66.5 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.032 0 O-C-N 121.474 -0.766 . . . . 0.0 109.467 -179.903 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 31.5 ttmt -155.78 -35.46 0.09 Allowed 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.252 -0.905 . . . . 0.0 109.55 179.386 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 80.2 mt-10 -99.84 139.94 34.77 Favored 'General case' 0 N--CA 1.496 1.835 0 O-C-N 121.297 -0.877 . . . . 0.0 109.252 -179.753 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 50' ' ' GLN . . . . . 0.765 ' NE2' ' H ' ' B' ' 50' ' ' GLN . 0.0 OUTLIER -69.72 -21.07 63.51 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.289 -0.882 . . . . 0.0 109.825 -179.708 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 56.7 mm-40 -60.0 -39.98 87.63 Favored 'General case' 0 N--CA 1.488 1.438 0 O-C-N 121.189 -0.944 . . . . 0.0 109.186 -179.884 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 73.2 t -64.55 -47.43 89.14 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.467 0 C-N-CA 119.477 -0.889 . . . . 0.0 108.73 179.189 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 53.3 t -64.43 -47.37 89.69 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.494 0 O-C-N 121.456 -0.777 . . . . 0.0 109.081 179.717 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 7.0 t70 -60.05 -46.63 88.9 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.326 -0.859 . . . . 0.0 110.094 179.893 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 86.2 tttt -60.06 -46.04 90.88 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.047 -1.033 . . . . 0.0 109.223 -179.607 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 55.0 t -60.64 -43.97 95.94 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.47 0 O-C-N 121.363 -0.835 . . . . 0.0 109.269 179.324 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 57' ' ' MET . . . . . . . . . . . . . 53.4 ttm -59.87 -46.24 89.93 Favored 'General case' 0 N--CA 1.488 1.463 0 O-C-N 121.299 -0.875 . . . . 0.0 109.451 179.827 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 86.7 tt0 -60.38 -41.6 94.1 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.155 -0.966 . . . . 0.0 109.406 179.924 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 99.1 m -68.25 -40.24 82.01 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.292 -0.88 . . . . 0.0 109.627 179.63 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 6.1 tp -75.77 -31.09 59.35 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.363 -0.835 . . . . 0.0 110.132 -179.748 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 97.6 m-20 -58.39 125.45 23.37 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.099 -1.001 . . . . 0.0 109.545 -178.91 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 78.6 mm-40 -96.45 -34.4 11.52 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.31 -0.869 . . . . 0.0 108.857 179.408 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 63' ' ' ASP . . . . . 0.406 ' OD1' ' N ' ' B' ' 63' ' ' ASP . 34.5 p-10 -103.94 -6.4 21.32 Favored 'General case' 0 N--CA 1.496 1.854 0 O-C-N 121.551 -0.718 . . . . 0.0 110.37 -179.735 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 69.97 37.9 74.31 Favored Glycine 0 N--CA 1.494 2.51 0 C-N-CA 119.812 -1.185 . . . . 0.0 110.536 179.46 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 44.8 p-10 -80.21 -12.55 59.63 Favored 'General case' 0 N--CA 1.494 1.748 0 O-C-N 120.824 -1.398 . . . . 0.0 109.538 179.816 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 75.83 9.32 85.07 Favored Glycine 0 N--CA 1.492 2.4 0 C-N-CA 120.288 -0.958 . . . . 0.0 110.943 178.891 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 50.0 mt-10 -143.59 160.61 40.34 Favored 'General case' 0 N--CA 1.499 1.984 0 O-C-N 120.924 -1.339 . . . . 0.0 109.818 179.902 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 68' ' ' CYS . . . . . . . . . . . . . 11.5 t -88.91 106.45 18.41 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.299 -0.876 . . . . 0.0 109.033 179.705 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 95.0 m-20 -91.09 -176.81 4.72 Favored 'General case' 0 N--CA 1.493 1.688 0 N-CA-C 109.204 -0.665 . . . . 0.0 109.204 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 2.7 t80 -59.98 -41.25 91.62 Favored 'General case' 0 N--CA 1.488 1.456 0 O-C-N 121.199 -0.938 . . . . 0.0 109.258 -179.033 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 18.0 mm-40 -69.77 -40.03 76.32 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.198 -0.939 . . . . 0.0 110.013 179.521 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 54.5 mm-40 -59.99 -41.53 92.27 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.033 -1.042 . . . . 0.0 109.452 -179.933 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 73' ' ' PHE . . . . . . . . . . . . . 62.8 t80 -60.25 -44.44 95.26 Favored 'General case' 0 N--CA 1.488 1.43 0 O-C-N 121.199 -0.938 . . . . 0.0 108.729 179.46 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 74' ' ' MET . . . . . 0.447 ' SD ' HG21 ' A' ' 81' ' ' THR . 12.6 tpt -63.04 -40.08 96.64 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.569 -0.707 . . . . 0.0 109.275 179.861 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -61.37 -40.84 95.79 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.34 -0.85 . . . . 0.0 110.045 -179.714 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 64.8 t80 -60.06 -45.85 91.52 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.238 -0.914 . . . . 0.0 109.777 -179.299 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 77' ' ' VAL . . . . . . . . . . . . . 71.0 t -63.15 -39.96 87.23 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.667 0 O-C-N 121.111 -0.993 . . . . 0.0 109.571 179.858 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 78' ' ' SER . . . . . . . . . . . . . 44.1 t -59.96 -40.07 87.79 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.337 -0.852 . . . . 0.0 110.384 -179.234 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 79' ' ' MET . . . . . . . . . . . . . 98.7 mmm -59.95 -44.18 94.55 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 120.895 -1.128 . . . . 0.0 109.38 -179.089 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 54.4 t -69.96 -43.48 79.37 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.576 0 O-C-N 121.145 -0.972 . . . . 0.0 109.552 179.272 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 81' ' ' THR . . . . . 0.476 HG21 ' SD ' ' A' ' 74' ' ' MET . 94.5 m -60.89 -42.0 97.13 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.532 -0.73 . . . . 0.0 111.233 -178.931 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 49.1 p -69.99 -28.6 65.66 Favored 'General case' 0 C--N 1.3 -1.57 0 O-C-N 120.757 -1.214 . . . . 0.0 109.887 -179.393 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -72.81 -20.04 61.22 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.36 -0.837 . . . . 0.0 110.866 -179.423 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 84' ' ' CYS . . . . . 0.542 ' SG ' ' O ' ' B' ' 84' ' ' CYS . 19.2 p -65.77 105.55 1.3 Allowed 'General case' 0 N--CA 1.494 1.756 0 O-C-N 120.754 -1.216 . . . . 0.0 110.388 -178.804 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 85' ' ' HIS . . . . . . . . . . . . . 64.3 m-70 -103.79 57.26 0.73 Allowed 'General case' 0 N--CA 1.497 1.892 0 O-C-N 121.219 -0.926 . . . . 0.0 108.56 179.305 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 77.9 mm-40 58.54 19.98 7.14 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.675 -0.641 . . . . 0.0 109.377 -179.625 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 87' ' ' PHE . . . . . . . . . . . . . 1.4 m-85 -87.38 -10.89 50.88 Favored 'General case' 0 N--CA 1.494 1.752 0 O-C-N 121.207 -0.933 . . . . 0.0 108.661 179.437 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 29.0 m-85 . . . . . 0 N--CA 1.49 1.573 0 O-C-N 121.326 -0.859 . . . . 0.0 109.216 179.815 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 18.9 p . . . . . 0 N--CA 1.499 2.003 0 CA-C-O 121.451 0.643 . . . . 0.0 109.652 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 75.9 mm-40 -63.21 -39.9 95.95 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.552 -0.717 . . . . 0.0 109.644 179.839 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -59.88 -39.92 86.93 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.342 -0.849 . . . . 0.0 109.632 -178.789 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 51.1 tp10 -60.06 -45.15 93.83 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 120.759 -1.213 . . . . 0.0 109.092 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 9.5 mtmp? -67.26 -34.16 76.86 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.149 -0.969 . . . . 0.0 109.071 179.2 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -59.91 -40.12 87.74 Favored 'General case' 0 N--CA 1.487 1.424 0 O-C-N 121.345 -0.847 . . . . 0.0 109.497 -179.413 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 4.0 tpt -60.0 -47.48 85.65 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.04 -1.037 . . . . 0.0 108.728 179.522 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 53.0 t -69.77 -40.1 78.7 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.587 0 O-C-N 121.38 -0.825 . . . . 0.0 108.946 179.679 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.95 -40.06 91.88 Favored 'General case' 0 N--CA 1.488 1.454 0 O-C-N 121.601 -0.687 . . . . 0.0 110.214 -179.763 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 22.1 tp -59.97 -49.95 75.65 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.054 -1.029 . . . . 0.0 110.01 -178.305 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 97.8 mt -70.1 -46.13 73.72 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.808 0 O-C-N 120.855 -1.153 . . . . 0.0 110.632 -179.517 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 59.9 t0 -60.73 -48.36 82.13 Favored 'General case' 0 N--CA 1.494 1.755 0 O-C-N 120.941 -1.1 . . . . 0.0 110.063 -179.156 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 54.7 t -60.48 -39.0 79.83 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.632 0 O-C-N 121.441 -0.787 . . . . 0.0 109.998 -179.889 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 26.3 t80 -59.84 -49.96 75.67 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.156 -0.965 . . . . 0.0 110.463 -178.549 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 50.0 m-70 -74.94 -41.84 58.85 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 120.68 -1.263 . . . . 0.0 111.01 -179.54 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 61.2 tt0 -59.99 -50.67 72.82 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 120.896 -1.127 . . . . 0.0 110.739 -178.633 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 9.9 m-85 -71.12 -42.6 69.03 Favored 'General case' 0 N--CA 1.495 1.794 0 O-C-N 120.995 -1.066 . . . . 0.0 109.794 -179.842 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 18' ' ' SER . . . . . 0.424 ' OG ' ' O ' ' A' ' 23' ' ' ASP . 19.8 t -69.98 -39.99 75.61 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.393 -0.817 . . . . 0.0 110.616 -179.321 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -70.82 -9.38 65.79 Favored Glycine 0 N--CA 1.491 2.348 0 C-N-CA 120.239 -0.981 . . . . 0.0 111.1 -178.683 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 14.5 ttp180 -60.21 -39.96 88.42 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 120.552 -1.558 . . . . 0.0 109.592 -179.642 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 99.4 mt-10 -132.83 82.96 2.03 Favored 'General case' 0 N--CA 1.499 1.983 0 O-C-N 121.336 -0.852 . . . . 0.0 109.933 -179.587 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 44.68 -163.21 0.07 OUTLIER Glycine 0 N--CA 1.493 2.491 0 N-CA-C 109.995 -1.242 . . . . 0.0 109.995 179.346 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 23' ' ' ASP . . . . . 0.424 ' O ' ' OG ' ' A' ' 18' ' ' SER . 74.0 m-20 50.08 39.87 20.22 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.285 -1.127 . . . . 0.0 108.714 179.934 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 14.8 ptmt -62.07 -33.78 75.05 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.536 -0.728 . . . . 0.0 111.199 -178.936 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 25' ' ' HIS . . . . . 0.465 ' CG ' ' O ' ' A' ' 25' ' ' HIS . 44.0 t-80 -99.27 4.83 46.69 Favored 'General case' 0 N--CA 1.499 2.005 0 O-C-N 121.002 -1.062 . . . . 0.0 110.708 -179.067 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 87.1 mttt -141.38 157.39 45.25 Favored 'General case' 0 N--CA 1.502 2.169 0 O-C-N 121.016 -1.052 . . . . 0.0 110.713 -179.028 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 85.0 mt -115.9 115.45 26.23 Favored 'General case' 0 N--CA 1.501 2.115 0 N-CA-C 108.606 -0.887 . . . . 0.0 108.606 178.818 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.413 ' HG2' ' H ' ' A' ' 29' ' ' LYS . 54.9 tttp -95.28 169.25 10.22 Favored 'General case' 0 N--CA 1.496 1.859 0 O-C-N 121.127 -0.983 . . . . 0.0 108.947 179.952 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.413 ' H ' ' HG2' ' A' ' 28' ' ' LYS . 7.8 ptpp? -56.47 -38.98 72.44 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 120.905 -1.122 . . . . 0.0 110.126 -179.05 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 35.1 t -60.73 -46.02 92.04 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 120.842 -1.161 . . . . 0.0 109.933 -179.814 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 8.6 mm-40 -69.64 -39.97 76.8 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.316 -0.865 . . . . 0.0 110.018 -179.443 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 8.5 tt -62.0 -40.09 94.44 Favored 'General case' 0 N--CA 1.494 1.751 0 O-C-N 121.153 -0.967 . . . . 0.0 109.712 -179.686 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 61.9 tttm -59.92 -39.94 87.19 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.354 -0.841 . . . . 0.0 110.323 -179.238 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 3.4 tm-20 -59.95 -40.0 87.53 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 120.933 -1.104 . . . . 0.0 109.372 -178.691 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 87.7 mt -60.26 -38.15 82.64 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.305 -0.872 . . . . 0.0 110.111 179.762 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.444 ' O ' ' O ' ' A' ' 39' ' ' GLU . 47.2 mm -60.01 -50.05 81.63 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.797 0 O-C-N 121.36 -0.838 . . . . 0.0 111.153 -177.925 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 37' ' ' ASN . . . . . 0.438 ' O ' ' OG ' ' A' ' 41' ' ' SER . 61.5 m-20 -61.71 -40.04 93.63 Favored 'General case' 0 N--CA 1.494 1.772 0 O-C-N 120.508 -1.37 . . . . 0.0 110.023 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 28.6 t-20 -79.88 -41.95 25.17 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.009 -1.057 . . . . 0.0 110.344 179.912 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 39' ' ' GLU . . . . . 0.444 ' O ' ' O ' ' A' ' 36' ' ' ILE . 87.9 tt0 -122.04 157.09 32.15 Favored 'General case' 0 N--CA 1.502 2.129 0 O-C-N 121.451 -0.78 . . . . 0.0 110.438 -178.653 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 9.1 mt 58.57 20.25 7.44 Favored 'General case' 0 N--CA 1.494 1.74 0 O-C-N 121.713 -0.617 . . . . 0.0 110.278 179.068 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 41' ' ' SER . . . . . 0.438 ' OG ' ' O ' ' A' ' 37' ' ' ASN . 55.1 m -70.39 -41.26 73.25 Favored 'General case' 0 C--N 1.3 -1.572 0 O-C-N 121.001 -1.062 . . . . 0.0 109.907 179.788 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 15.7 t60 -97.21 -43.27 7.43 Favored 'General case' 0 N--CA 1.497 1.903 0 O-C-N 121.264 -0.897 . . . . 0.0 110.889 -178.719 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -59.97 -42.48 94.24 Favored 'General case' 0 N--CA 1.495 1.78 0 O-C-N 120.966 -1.084 . . . . 0.0 110.174 -179.24 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 47.6 tp -95.2 150.67 19.97 Favored 'General case' 0 N--CA 1.498 1.926 0 O-C-N 120.994 -1.066 . . . . 0.0 108.996 -179.596 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 45' ' ' GLU . . . . . 0.447 ' OE1' ' O ' ' A' ' 46' ' ' GLU . 12.4 tm-20 -54.05 137.98 38.53 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.173 -0.954 . . . . 0.0 109.067 -179.414 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 46' ' ' GLU . . . . . 0.447 ' O ' ' OE1' ' A' ' 45' ' ' GLU . 51.5 mt-10 -63.66 133.62 53.96 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.251 -0.905 . . . . 0.0 109.997 -179.207 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 87.2 mt -108.23 124.89 64.87 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.957 0 O-C-N 121.449 -0.782 . . . . 0.0 109.24 179.361 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 32.2 ttmt -107.2 -28.5 9.9 Favored 'General case' 0 N--CA 1.496 1.844 0 O-C-N 121.579 -0.701 . . . . 0.0 109.457 -179.897 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 49' ' ' GLU . . . . . 0.482 ' CD ' ' H ' ' A' ' 49' ' ' GLU . 1.0 OUTLIER -102.12 135.74 43.17 Favored 'General case' 0 N--CA 1.496 1.858 0 O-C-N 121.38 -0.825 . . . . 0.0 109.909 -179.334 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 94.0 mt-30 -70.07 -19.39 63.28 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.612 -0.68 . . . . 0.0 109.544 179.736 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 88.9 tt0 -59.92 -39.48 85.61 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.456 -0.778 . . . . 0.0 109.666 -179.4 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 73.9 t -60.08 -40.12 82.38 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.489 0 O-C-N 121.128 -0.982 . . . . 0.0 109.052 -179.39 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 54.5 t -65.93 -42.3 91.63 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.544 0 O-C-N 121.14 -0.975 . . . . 0.0 109.351 179.571 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 79.2 m-20 -60.1 -44.1 95.09 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.233 -0.917 . . . . 0.0 110.365 -179.598 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -62.7 -40.65 97.79 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.104 -0.997 . . . . 0.0 109.884 -179.57 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 54.0 t -65.09 -40.01 87.48 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.547 0 O-C-N 121.205 -0.935 . . . . 0.0 109.654 -179.559 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 88.4 mmm -60.07 -41.33 92.18 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.089 -1.007 . . . . 0.0 109.877 -179.818 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 84.8 tt0 -61.0 -40.99 95.62 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.292 -0.88 . . . . 0.0 109.755 -179.52 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 94.1 m -69.02 -40.04 78.9 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.355 -0.84 . . . . 0.0 109.868 -179.769 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.403 HD13 ' HA ' ' A' ' 60' ' ' LEU . 2.8 mm? -73.76 -4.09 32.47 Favored 'General case' 0 N--CA 1.494 1.764 0 O-C-N 121.346 -0.846 . . . . 0.0 110.286 -179.243 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 61' ' ' ASP . . . . . 0.487 ' OD1' ' N ' ' A' ' 64' ' ' GLY . 60.4 t0 -72.48 68.28 0.79 Allowed 'General case' 0 N--CA 1.49 1.549 0 O-C-N 120.72 -1.237 . . . . 0.0 109.289 -179.801 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 53.1 tp10 -69.76 -39.81 76.48 Favored 'General case' 0 N--CA 1.494 1.74 0 O-C-N 121.432 -0.793 . . . . 0.0 110.427 -179.706 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 51.5 p-10 -87.76 -0.64 57.19 Favored 'General case' 0 N--CA 1.5 2.039 0 O-C-N 120.894 -1.129 . . . . 0.0 110.91 -178.683 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 64' ' ' GLY . . . . . 0.487 ' N ' ' OD1' ' A' ' 61' ' ' ASP . . . 70.9 22.79 78.38 Favored Glycine 0 N--CA 1.494 2.513 0 O-C-N 120.832 -1.167 . . . . 0.0 110.903 178.656 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 65' ' ' ASP . . . . . 0.417 ' OD2' ' O ' ' A' ' 67' ' ' GLU . 31.2 p-10 -84.43 -14.42 49.36 Favored 'General case' 0 N--CA 1.498 1.935 0 O-C-N 120.742 -1.446 . . . . 0.0 110.478 -179.556 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 89.84 -10.0 75.29 Favored Glycine 0 N--CA 1.498 2.813 0 O-C-N 120.719 -1.238 . . . . 0.0 110.659 179.099 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 67' ' ' GLU . . . . . 0.417 ' O ' ' OD2' ' A' ' 65' ' ' ASP . 2.2 pm0 -144.46 167.16 23.14 Favored 'General case' 0 N--CA 1.498 1.947 0 O-C-N 120.917 -1.343 . . . . 0.0 109.14 179.346 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 2.2 p -88.73 117.16 27.51 Favored 'General case' 0 N--CA 1.496 1.841 0 O-C-N 120.976 -1.078 . . . . 0.0 110.106 -178.721 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 86.2 m-20 -91.42 -173.13 3.49 Favored 'General case' 0 N--CA 1.492 1.663 0 CA-C-O 121.69 0.757 . . . . 0.0 110.05 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 66.7 t80 -60.08 -49.91 75.79 Favored 'General case' 0 N--CA 1.486 1.362 0 CA-C-O 121.43 0.633 . . . . 0.0 109.418 179.863 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 12.1 tp-100 -60.13 -47.46 85.82 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.434 -0.791 . . . . 0.0 110.13 -179.906 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 94.6 mt-10 -69.26 -35.62 76.28 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 121.113 -0.992 . . . . 0.0 110.48 -178.995 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 87.4 t80 -59.98 -43.85 94.85 Favored 'General case' 0 C--N 1.299 -1.608 0 O-C-N 121.016 -1.052 . . . . 0.0 109.248 -179.51 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 11.1 tpt -61.33 -39.97 92.5 Favored 'General case' 0 C--N 1.301 -1.543 0 O-C-N 121.099 -1.001 . . . . 0.0 109.236 179.031 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -60.21 -37.25 79.7 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.648 -0.657 . . . . 0.0 110.379 -179.388 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 64.9 t80 -60.08 -40.65 90.26 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 120.974 -1.079 . . . . 0.0 109.893 -179.078 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 68.1 t -60.92 -39.99 83.88 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.535 0 O-C-N 121.098 -1.001 . . . . 0.0 108.849 179.797 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 78.2 p -61.91 -40.64 96.17 Favored 'General case' 0 N--CA 1.487 1.412 0 O-C-N 121.477 -0.764 . . . . 0.0 110.0 -179.541 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 61.7 mtt -60.45 -46.39 90.24 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.024 -1.048 . . . . 0.0 109.855 -179.882 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 87.9 t -69.6 -43.61 80.23 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.479 0 O-C-N 121.121 -0.987 . . . . 0.0 108.892 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 94.2 m -63.87 -40.04 95.62 Favored 'General case' 0 C--N 1.304 -1.38 0 O-C-N 121.397 -0.815 . . . . 0.0 108.876 179.686 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 94.6 m -63.34 -40.0 96.09 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.33 -0.856 . . . . 0.0 109.405 179.765 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -63.3 -39.85 95.71 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.249 -0.907 . . . . 0.0 109.693 -179.738 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 60.8 m -65.27 102.77 0.7 Allowed 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.144 -0.972 . . . . 0.0 109.24 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -99.71 -120.84 0.15 Allowed 'General case' 0 N--CA 1.498 1.958 0 O-C-N 121.212 -0.93 . . . . 0.0 109.762 -179.722 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 91.4 mt-10 -89.23 33.49 0.81 Allowed 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.156 -0.965 . . . . 0.0 109.079 179.792 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 31.0 t80 -59.94 -46.15 90.31 Favored 'General case' 0 C--N 1.3 -1.555 0 O-C-N 121.452 -0.78 . . . . 0.0 109.928 -178.806 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 11.8 p90 . . . . . 0 N--CA 1.5 2.048 0 O-C-N 121.029 -1.044 . . . . 0.0 109.595 179.752 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 16.9 p . . . . . 0 N--CA 1.5 2.039 0 CA-C-O 121.528 0.68 . . . . 0.0 109.609 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 75.8 mm-40 -63.25 -39.85 95.77 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.426 -0.796 . . . . 0.0 109.647 179.892 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -59.92 -39.8 86.68 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.38 -0.825 . . . . 0.0 109.734 -178.934 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 51.4 tp10 -60.04 -45.8 91.62 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 120.804 -1.185 . . . . 0.0 109.045 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 9.2 mtmp? -66.7 -34.22 77.37 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.191 -0.943 . . . . 0.0 109.079 179.106 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -59.88 -40.29 88.22 Favored 'General case' 0 N--CA 1.488 1.447 0 O-C-N 121.349 -0.844 . . . . 0.0 109.56 -179.449 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 7' ' ' MET . . . . . . . . . . . . . 3.9 tpt -60.09 -47.54 85.46 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.073 -1.017 . . . . 0.0 108.629 179.627 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 53.7 t -69.59 -40.09 79.12 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.553 0 O-C-N 121.418 -0.801 . . . . 0.0 108.964 179.7 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.91 -39.94 91.22 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.438 -0.789 . . . . 0.0 110.276 -179.749 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 25.9 tp -59.88 -49.99 75.55 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.233 -0.917 . . . . 0.0 109.987 -178.279 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 96.7 mt -70.06 -46.88 71.28 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.877 0 O-C-N 120.869 -1.145 . . . . 0.0 110.69 -179.555 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 59.8 t0 -60.13 -48.35 82.11 Favored 'General case' 0 N--CA 1.496 1.836 0 O-C-N 121.017 -1.052 . . . . 0.0 109.991 -179.293 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 54.0 t -60.51 -39.59 81.71 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.73 0 O-C-N 121.463 -0.773 . . . . 0.0 109.865 -179.715 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 14' ' ' PHE . . . . . 0.4 ' CD1' ' C ' ' B' ' 14' ' ' PHE . 27.7 t80 -59.38 -49.99 75.69 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.192 -0.942 . . . . 0.0 110.497 -178.565 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 49.5 m-70 -74.9 -42.0 58.63 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 120.793 -1.192 . . . . 0.0 110.975 -179.543 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 61.2 tt0 -60.02 -50.51 73.45 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 120.788 -1.195 . . . . 0.0 110.74 -178.59 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 9.6 m-85 -71.13 -42.46 69.16 Favored 'General case' 0 N--CA 1.495 1.786 0 O-C-N 120.905 -1.122 . . . . 0.0 109.893 -179.808 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 18' ' ' SER . . . . . 0.452 ' OG ' ' O ' ' B' ' 23' ' ' ASP . 20.6 t -70.04 -40.13 75.31 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.43 -0.794 . . . . 0.0 110.59 -179.369 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -70.62 -9.56 65.46 Favored Glycine 0 N--CA 1.49 2.258 0 C-N-CA 120.177 -1.011 . . . . 0.0 111.085 -178.74 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 14.3 ttp180 -60.06 -40.03 88.06 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 120.516 -1.579 . . . . 0.0 109.714 -179.46 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 99.2 mt-10 -133.04 83.42 2.06 Favored 'General case' 0 N--CA 1.499 1.979 0 O-C-N 121.387 -0.821 . . . . 0.0 109.683 -179.527 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . 44.26 -162.99 0.06 OUTLIER Glycine 0 N--CA 1.494 2.502 0 N-CA-C 110.214 -1.154 . . . . 0.0 110.214 179.498 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 23' ' ' ASP . . . . . 0.452 ' O ' ' OG ' ' B' ' 18' ' ' SER . 73.6 m-20 50.08 39.96 20.46 Favored 'General case' 0 N--CA 1.493 1.718 0 O-C-N 121.339 -1.095 . . . . 0.0 108.674 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 15.3 ptmt -62.3 -33.52 74.83 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.627 -0.67 . . . . 0.0 111.129 -178.8 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 25' ' ' HIS . . . . . 0.463 ' CG ' ' O ' ' B' ' 25' ' ' HIS . 43.7 t-80 -99.44 4.48 46.17 Favored 'General case' 0 N--CA 1.499 1.981 0 O-C-N 121.031 -1.043 . . . . 0.0 110.646 -179.007 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 89.3 mttt -141.05 157.87 44.71 Favored 'General case' 0 N--CA 1.502 2.161 0 O-C-N 121.03 -1.044 . . . . 0.0 110.666 -179.128 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 85.2 mt -116.28 115.76 26.53 Favored 'General case' 0 N--CA 1.5 2.064 0 N-CA-C 108.672 -0.862 . . . . 0.0 108.672 178.838 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 28' ' ' LYS . . . . . 0.415 ' HG2' ' H ' ' B' ' 29' ' ' LYS . 54.0 tttp -95.69 169.25 10.15 Favored 'General case' 0 N--CA 1.497 1.896 0 O-C-N 121.133 -0.979 . . . . 0.0 108.806 -179.934 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 29' ' ' LYS . . . . . 0.415 ' H ' ' HG2' ' B' ' 28' ' ' LYS . 7.5 ptpp? -56.3 -39.0 72.01 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 120.931 -1.106 . . . . 0.0 110.081 -179.161 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 33.6 t -60.63 -46.47 90.16 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 120.809 -1.182 . . . . 0.0 109.956 -179.76 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 8.8 mm-40 -69.38 -40.0 77.67 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.256 -0.903 . . . . 0.0 110.086 -179.299 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 8.3 tt -62.1 -39.99 94.35 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.279 -0.888 . . . . 0.0 109.678 -179.561 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 62.5 tttm -60.05 -39.98 87.85 Favored 'General case' 0 N--CA 1.494 1.753 0 O-C-N 121.324 -0.86 . . . . 0.0 110.363 -179.139 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 3.4 tm-20 -59.97 -40.03 87.71 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 120.822 -1.173 . . . . 0.0 109.386 -178.822 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 85.1 mt -60.16 -38.2 82.44 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.33 -0.856 . . . . 0.0 110.03 179.64 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 36' ' ' ILE . . . . . 0.439 ' O ' ' O ' ' B' ' 39' ' ' GLU . 45.0 mm -59.97 -49.84 82.41 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.782 0 O-C-N 121.329 -0.857 . . . . 0.0 111.153 -178.06 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 37' ' ' ASN . . . . . 0.436 ' O ' ' OG ' ' B' ' 41' ' ' SER . 61.1 m-20 -61.88 -40.07 94.14 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 120.474 -1.391 . . . . 0.0 110.037 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 28.8 t-20 -79.87 -41.77 25.58 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.028 -1.045 . . . . 0.0 110.42 179.845 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 39' ' ' GLU . . . . . 0.439 ' O ' ' O ' ' B' ' 36' ' ' ILE . 87.5 tt0 -122.11 156.76 32.92 Favored 'General case' 0 N--CA 1.502 2.165 0 O-C-N 121.482 -0.761 . . . . 0.0 110.601 -178.641 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 9.5 mt 58.64 19.93 7.22 Favored 'General case' 0 N--CA 1.494 1.74 0 CA-C-O 121.228 0.537 . . . . 0.0 110.31 179.235 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 41' ' ' SER . . . . . 0.436 ' OG ' ' O ' ' B' ' 37' ' ' ASN . 51.6 m -70.0 -41.18 74.71 Favored 'General case' 0 C--N 1.3 -1.567 0 O-C-N 121.047 -1.033 . . . . 0.0 109.952 179.721 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 42' ' ' HIS . . . . . . . . . . . . . 16.0 t60 -97.24 -43.53 7.31 Favored 'General case' 0 N--CA 1.498 1.96 0 O-C-N 121.17 -0.956 . . . . 0.0 110.838 -178.845 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -59.98 -42.52 94.37 Favored 'General case' 0 N--CA 1.495 1.8 0 O-C-N 120.966 -1.084 . . . . 0.0 110.064 -179.123 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 44.7 tp -94.93 151.06 19.51 Favored 'General case' 0 N--CA 1.497 1.879 0 O-C-N 120.947 -1.096 . . . . 0.0 108.992 -179.767 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 45' ' ' GLU . . . . . 0.441 ' OE1' ' O ' ' B' ' 46' ' ' GLU . 12.1 tm-20 -54.46 137.97 41.32 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.067 -1.021 . . . . 0.0 109.056 -179.414 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 46' ' ' GLU . . . . . 0.441 ' O ' ' OE1' ' B' ' 45' ' ' GLU . 50.9 mt-10 -63.42 133.53 54.14 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.318 -0.864 . . . . 0.0 110.04 -179.084 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 88.6 mt -108.41 124.62 64.94 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.894 0 O-C-N 121.507 -0.746 . . . . 0.0 109.33 179.412 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 32.5 ttmt -107.03 -28.27 10.13 Favored 'General case' 0 N--CA 1.495 1.779 0 O-C-N 121.507 -0.746 . . . . 0.0 109.556 -179.809 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 49' ' ' GLU . . . . . 0.486 ' CD ' ' H ' ' B' ' 49' ' ' GLU . 1.0 OUTLIER -102.42 135.5 43.92 Favored 'General case' 0 N--CA 1.497 1.875 0 O-C-N 121.453 -0.779 . . . . 0.0 109.888 -179.217 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 94.3 mt-30 -69.99 -19.28 63.35 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.591 -0.693 . . . . 0.0 109.436 179.904 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 89.1 tt0 -59.78 -39.74 85.89 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.453 -0.779 . . . . 0.0 109.695 -179.351 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 70.8 t -60.05 -40.13 82.33 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.526 0 O-C-N 121.172 -0.955 . . . . 0.0 108.974 -179.42 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 54.7 t -65.9 -42.24 91.59 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.56 0 O-C-N 121.235 -0.915 . . . . 0.0 109.301 179.538 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 78.7 m-20 -60.31 -44.26 95.6 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.243 -0.91 . . . . 0.0 110.197 -179.486 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -62.58 -40.2 96.13 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.129 -0.982 . . . . 0.0 109.86 -179.48 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 53.6 t -65.28 -39.99 87.16 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.482 0 O-C-N 121.234 -0.916 . . . . 0.0 109.774 -179.596 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 57' ' ' MET . . . . . . . . . . . . . 88.7 mmm -60.22 -41.29 92.76 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.028 -1.045 . . . . 0.0 109.878 -179.696 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 82.1 tt0 -60.97 -41.09 95.74 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.112 -0.992 . . . . 0.0 109.637 -179.47 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 94.4 m -68.72 -40.07 80.13 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.38 -0.825 . . . . 0.0 109.737 -179.622 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 2.5 mm? -74.08 -4.05 33.2 Favored 'General case' 0 N--CA 1.495 1.814 0 O-C-N 121.287 -0.883 . . . . 0.0 110.378 -179.063 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 61' ' ' ASP . . . . . 0.493 ' OD1' ' N ' ' B' ' 64' ' ' GLY . 58.7 t0 -72.49 68.03 0.78 Allowed 'General case' 0 N--CA 1.492 1.672 0 O-C-N 120.734 -1.229 . . . . 0.0 109.236 179.833 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 52.7 tp10 -69.5 -39.58 77.5 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.318 -0.864 . . . . 0.0 110.365 -179.66 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 51.9 p-10 -87.77 -1.01 57.69 Favored 'General case' 0 N--CA 1.498 1.94 0 O-C-N 120.949 -1.095 . . . . 0.0 110.889 -178.786 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 64' ' ' GLY . . . . . 0.493 ' N ' ' OD1' ' B' ' 61' ' ' ASP . . . 71.39 22.4 78.59 Favored Glycine 0 N--CA 1.494 2.551 0 O-C-N 120.745 -1.222 . . . . 0.0 110.994 178.578 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 32.4 p-10 -84.1 -14.35 50.6 Favored 'General case' 0 N--CA 1.497 1.896 0 O-C-N 120.856 -1.379 . . . . 0.0 110.504 -179.423 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 90.06 -10.49 73.86 Favored Glycine 0 N--CA 1.498 2.81 0 O-C-N 120.771 -1.205 . . . . 0.0 110.721 178.942 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 2.3 pm0 -143.86 167.57 22.0 Favored 'General case' 0 N--CA 1.498 1.959 0 O-C-N 120.911 -1.346 . . . . 0.0 109.182 179.26 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 68' ' ' CYS . . . . . . . . . . . . . 2.0 p -88.98 117.21 27.84 Favored 'General case' 0 N--CA 1.498 1.936 0 O-C-N 120.969 -1.082 . . . . 0.0 110.113 -178.803 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 85.1 m-20 -91.22 -172.63 3.36 Favored 'General case' 0 N--CA 1.491 1.606 0 CA-C-O 121.698 0.761 . . . . 0.0 110.154 179.842 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 65.5 t80 -60.22 -49.99 75.45 Favored 'General case' 0 N--CA 1.488 1.468 0 CA-C-O 121.562 0.696 . . . . 0.0 109.462 179.643 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 12.1 tp-100 -60.38 -47.66 85.09 Favored 'General case' 0 N--CA 1.493 1.675 0 O-C-N 121.414 -0.804 . . . . 0.0 110.075 -179.827 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 94.4 mt-10 -68.54 -36.01 78.23 Favored 'General case' 0 N--CA 1.494 1.759 0 O-C-N 121.306 -0.871 . . . . 0.0 110.647 -179.312 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 73' ' ' PHE . . . . . . . . . . . . . 86.1 t80 -59.95 -43.87 94.73 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.044 -1.035 . . . . 0.0 109.346 -179.456 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 74' ' ' MET . . . . . . . . . . . . . 11.0 tpt -61.42 -40.0 92.82 Favored 'General case' 0 C--N 1.301 -1.504 0 O-C-N 121.13 -0.981 . . . . 0.0 109.072 179.076 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -60.18 -37.31 79.82 Favored 'General case' 0 N--CA 1.494 1.754 0 O-C-N 121.582 -0.699 . . . . 0.0 110.515 -179.481 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 65.6 t80 -60.13 -40.36 89.48 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.084 -1.01 . . . . 0.0 109.972 -179.101 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 77' ' ' VAL . . . . . . . . . . . . . 63.7 t -60.88 -40.12 84.24 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.513 0 O-C-N 121.114 -0.991 . . . . 0.0 108.794 179.698 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 78' ' ' SER . . . . . . . . . . . . . 67.4 p -61.95 -40.49 95.71 Favored 'General case' 0 N--CA 1.487 1.394 0 O-C-N 121.433 -0.792 . . . . 0.0 109.993 -179.445 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 79' ' ' MET . . . . . . . . . . . . . 61.6 mtt -60.53 -46.72 89.14 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 120.901 -1.124 . . . . 0.0 109.9 -179.883 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 95.9 t -69.4 -43.41 80.95 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.518 0 O-C-N 121.255 -0.903 . . . . 0.0 108.852 179.902 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 94.3 m -64.01 -39.96 95.28 Favored 'General case' 0 C--N 1.304 -1.389 0 O-C-N 121.427 -0.795 . . . . 0.0 109.043 179.602 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 94.3 m -63.36 -40.0 96.07 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.314 -0.866 . . . . 0.0 109.548 179.552 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -63.07 -39.9 96.1 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.258 -0.901 . . . . 0.0 109.643 -179.809 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 84' ' ' CYS . . . . . . . . . . . . . 60.0 m -65.74 102.97 0.81 Allowed 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.266 -0.896 . . . . 0.0 109.233 -179.794 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 85' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -100.0 -121.24 0.15 Allowed 'General case' 0 N--CA 1.497 1.922 0 O-C-N 121.269 -0.894 . . . . 0.0 109.742 -179.715 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 91.1 mt-10 -88.59 33.5 0.76 Allowed 'General case' 0 N--CA 1.495 1.804 0 O-C-N 121.302 -0.874 . . . . 0.0 109.021 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 87' ' ' PHE . . . . . . . . . . . . . 30.7 t80 -60.01 -46.23 90.15 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.408 -0.808 . . . . 0.0 109.865 -178.788 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 11.2 p90 . . . . . 0 N--CA 1.5 2.069 0 O-C-N 121.005 -1.06 . . . . 0.0 109.654 179.793 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 47.5 t . . . . . 0 N--CA 1.499 1.979 0 N-CA-C 109.186 -0.672 . . . . 0.0 109.186 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 2' ' ' GLU . . . . . 0.416 ' H ' ' CD ' ' A' ' 2' ' ' GLU . 58.5 mp0 -59.99 -40.1 88.01 Favored 'General case' 0 C--N 1.303 -1.454 0 O-C-N 121.462 -0.774 . . . . 0.0 109.305 -179.832 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 3' ' ' LEU . . . . . 0.407 HD11 ' OE1' ' B' ' 39' ' ' GLU . 1.0 OUTLIER -61.65 -32.67 72.85 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.346 -0.846 . . . . 0.0 110.337 -179.48 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -60.11 -40.38 89.5 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 120.794 -1.191 . . . . 0.0 108.685 -179.789 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 26.1 mttp -70.0 -26.65 64.17 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.239 -0.913 . . . . 0.0 109.705 179.216 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -60.03 -43.62 95.17 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.166 -0.958 . . . . 0.0 109.663 -179.387 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 66.4 mtt -60.0 -40.02 87.76 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 120.746 -1.221 . . . . 0.0 108.853 179.322 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 77.2 t -69.98 -39.84 77.91 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.588 0 O-C-N 121.46 -0.775 . . . . 0.0 109.885 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.32 -46.53 88.35 Favored 'General case' 0 N--CA 1.494 1.761 0 O-C-N 121.18 -0.95 . . . . 0.0 110.479 -178.456 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -60.01 -40.64 89.96 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 120.768 -1.207 . . . . 0.0 108.78 179.674 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 86.8 mt -69.56 -41.92 80.52 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.67 0 O-C-N 121.084 -1.01 . . . . 0.0 109.61 179.573 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 11.5 t0 -64.28 -47.06 80.99 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.268 -0.895 . . . . 0.0 109.639 -179.772 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 53.4 t -63.74 -41.51 92.83 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.479 0 O-C-N 121.25 -0.906 . . . . 0.0 108.914 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 59.3 t80 -59.97 -50.03 75.35 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.413 -0.805 . . . . 0.0 109.481 179.706 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 82.9 t60 -70.26 -44.27 68.81 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.63 -0.669 . . . . 0.0 111.322 -179.247 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 30.1 tt0 -60.01 -48.51 81.4 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 120.975 -1.078 . . . . 0.0 110.467 -178.625 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 4.4 m-85 -70.02 -36.21 74.91 Favored 'General case' 0 N--CA 1.494 1.755 0 O-C-N 121.149 -0.97 . . . . 0.0 110.47 -179.589 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 19.0 t -59.79 -39.98 86.79 Favored 'General case' 0 C--N 1.301 -1.531 0 O-C-N 120.729 -1.232 . . . . 0.0 109.908 -178.679 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -81.74 -7.27 88.28 Favored Glycine 0 N--CA 1.493 2.451 0 C-N-CA 120.107 -1.044 . . . . 0.0 111.149 -179.664 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 20' ' ' ARG . . . . . 0.593 ' HE ' ' C ' ' A' ' 20' ' ' ARG . 0.0 OUTLIER -70.03 -29.31 66.32 Favored 'General case' 0 N--CA 1.496 1.869 0 O-C-N 120.654 -1.498 . . . . 0.0 110.709 -178.774 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 86.4 tt0 -108.27 -87.75 0.49 Allowed 'General case' 0 N--CA 1.5 2.037 0 O-C-N 121.193 -0.942 . . . . 0.0 110.144 -179.177 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -93.09 -154.78 31.46 Favored Glycine 0 N--CA 1.495 2.573 0 N-CA-C 109.831 -1.308 . . . . 0.0 109.831 -179.585 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 23' ' ' ASP . . . . . 0.531 ' OD1' ' CE1' ' A' ' 25' ' ' HIS . 34.6 p-10 -74.25 165.29 25.43 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.327 -1.102 . . . . 0.0 109.139 179.933 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 24' ' ' LYS . . . . . 0.462 ' CD ' ' H ' ' A' ' 24' ' ' LYS . 0.0 OUTLIER -84.96 105.4 15.7 Favored 'General case' 0 N--CA 1.496 1.832 0 O-C-N 121.076 -1.015 . . . . 0.0 109.75 -178.903 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 25' ' ' HIS . . . . . 0.566 ' CG ' ' N ' ' A' ' 26' ' ' LYS . 8.0 p-80 -169.64 -48.56 0.02 OUTLIER 'General case' 0 N--CA 1.494 1.732 0 O-C-N 121.095 -1.003 . . . . 0.0 109.697 179.208 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.566 ' N ' ' CG ' ' A' ' 25' ' ' HIS . 47.8 mtpt -141.54 157.24 45.38 Favored 'General case' 0 N--CA 1.499 1.982 0 O-C-N 121.421 -0.799 . . . . 0.0 108.87 179.521 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -107.57 139.0 42.77 Favored 'General case' 0 N--CA 1.5 2.031 0 O-C-N 121.354 -0.842 . . . . 0.0 109.034 179.741 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 44.0 mmtm -89.36 169.06 11.73 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.517 -0.74 . . . . 0.0 109.055 -179.874 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 61.0 pttt -60.04 -31.21 69.75 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.192 -0.943 . . . . 0.0 109.666 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 88.6 p -60.03 -39.84 87.28 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.238 -0.914 . . . . 0.0 109.784 -179.825 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 -67.6 -31.52 71.62 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.1 -1.0 . . . . 0.0 110.02 -179.536 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -60.1 -43.8 95.3 Favored 'General case' 0 N--CA 1.497 1.882 0 O-C-N 121.195 -0.941 . . . . 0.0 109.135 -179.545 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 61.0 tttp -59.97 -45.3 93.12 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.282 -0.886 . . . . 0.0 110.202 -179.574 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -69.28 -38.47 78.38 Favored 'General case' 0 N--CA 1.494 1.748 0 O-C-N 121.128 -0.983 . . . . 0.0 110.192 179.762 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 28.4 tp -59.97 -41.02 91.05 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.312 -0.867 . . . . 0.0 109.904 -178.603 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 96.6 mt -67.22 -41.12 86.37 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.72 0 O-C-N 121.005 -1.059 . . . . 0.0 110.539 -179.302 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 59.7 t30 -68.05 -35.13 77.73 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.16 -0.963 . . . . 0.0 110.125 -179.493 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 16.3 t-20 -59.94 -45.07 93.8 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.227 -0.921 . . . . 0.0 111.07 -178.459 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 39' ' ' GLU . . . . . 0.464 ' OE1' HD11 ' B' ' 3' ' ' LEU . 2.3 pt-20 -108.73 -93.31 0.42 Allowed 'General case' 0 N--CA 1.504 2.244 0 O-C-N 121.062 -1.024 . . . . 0.0 111.077 -178.675 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 70.6 mt -50.37 94.89 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.369 -0.832 . . . . 0.0 111.155 -178.195 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 94.2 p -109.9 -58.84 2.0 Favored 'General case' 0 N--CA 1.496 1.83 0 N-CA-C 108.076 -1.083 . . . . 0.0 108.076 178.047 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 86.0 t60 -68.05 -40.09 82.9 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.565 -0.709 . . . . 0.0 110.263 179.439 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 43' ' ' PHE . . . . . 0.567 ' C ' HD22 ' A' ' 44' ' ' LEU . 47.1 m-85 -59.91 -40.07 87.55 Favored 'General case' 0 N--CA 1.494 1.742 0 O-C-N 121.139 -0.976 . . . . 0.0 110.364 -178.836 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.567 HD22 ' C ' ' A' ' 43' ' ' PHE . 3.9 mm? -115.97 109.81 18.08 Favored 'General case' 0 N--CA 1.503 2.185 0 O-C-N 121.26 -0.9 . . . . 0.0 108.864 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 45' ' ' GLU . . . . . 0.453 ' CD ' ' H ' ' A' ' 45' ' ' GLU . 3.5 pm0 -119.94 -5.97 10.06 Favored 'General case' 0 N--CA 1.499 2.016 0 O-C-N 121.458 -0.776 . . . . 0.0 109.573 179.197 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 46' ' ' GLU . . . . . 0.411 ' OE1' ' N ' ' A' ' 46' ' ' GLU . 32.9 mp0 -84.0 -9.88 58.32 Favored 'General case' 0 N--CA 1.495 1.784 0 O-C-N 121.157 -0.965 . . . . 0.0 110.085 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 99.5 mt -79.49 91.83 1.58 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.615 0 O-C-N 120.767 -1.208 . . . . 0.0 109.746 -179.414 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 97.4 mttt -124.75 -29.55 3.4 Favored 'General case' 0 N--CA 1.496 1.852 0 N-CA-C 107.961 -1.125 . . . . 0.0 107.961 178.483 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 68.2 mm-40 -104.84 137.32 42.8 Favored 'General case' 0 N--CA 1.493 1.68 0 N-CA-C 108.635 -0.876 . . . . 0.0 108.635 179.462 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 4.5 pp0? -61.27 -21.33 63.82 Favored 'General case' 0 C--N 1.301 -1.543 0 O-C-N 121.171 -0.956 . . . . 0.0 109.703 -179.882 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 89.1 tt0 -60.02 -41.49 92.27 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.248 -0.908 . . . . 0.0 110.134 -178.617 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 55.1 t -60.04 -41.77 87.49 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.572 0 O-C-N 120.928 -1.108 . . . . 0.0 109.369 179.846 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 63.4 t -60.47 -42.88 92.82 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.45 0 O-C-N 121.17 -0.956 . . . . 0.0 109.581 -179.855 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 98.6 m-20 -62.73 -41.84 99.36 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.055 -1.028 . . . . 0.0 109.915 -179.907 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 61.3 tttm -66.63 -44.64 81.46 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.119 -0.988 . . . . 0.0 109.286 179.752 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 55.1 t -70.03 -40.95 79.1 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.583 0 O-C-N 121.582 -0.699 . . . . 0.0 110.052 179.871 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 23.1 ttt -60.33 -42.36 95.49 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.305 -0.872 . . . . 0.0 110.784 -179.111 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -69.6 -39.95 76.95 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.114 -0.991 . . . . 0.0 110.677 -179.051 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 93.7 m -63.28 -41.58 99.02 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.202 -0.936 . . . . 0.0 110.713 -179.525 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.559 HD13 ' O ' ' A' ' 60' ' ' LEU . 0.2 OUTLIER -71.87 -39.98 69.27 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.215 -0.928 . . . . 0.0 110.987 -178.47 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 93.6 m-20 -71.84 119.15 15.6 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 120.714 -1.241 . . . . 0.0 109.628 -178.952 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 66.6 mm-40 -70.03 -39.97 75.47 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.344 -0.848 . . . . 0.0 110.119 -179.852 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 29.9 p-10 -90.35 -8.04 51.75 Favored 'General case' 0 N--CA 1.494 1.768 0 O-C-N 121.117 -0.989 . . . . 0.0 110.566 -178.838 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 44.34 51.85 7.47 Favored Glycine 0 N--CA 1.495 2.627 0 N-CA-C 110.129 -1.188 . . . . 0.0 110.129 179.434 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 65' ' ' ASP . . . . . 0.4 ' N ' ' OD1' ' A' ' 65' ' ' ASP . 28.6 p-10 -88.98 -1.84 58.3 Favored 'General case' 0 N--CA 1.495 1.797 0 O-C-N 121.162 -1.199 . . . . 0.0 110.06 -179.592 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 80.91 -3.64 74.7 Favored Glycine 0 N--CA 1.493 2.483 0 N-CA-C 110.042 -1.223 . . . . 0.0 110.042 179.54 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 80.0 mm-40 -121.77 150.17 42.24 Favored 'General case' 0 N--CA 1.501 2.091 0 O-C-N 121.514 -0.992 . . . . 0.0 108.886 179.83 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 3.3 m -101.02 111.82 24.12 Favored 'General case' 0 N--CA 1.496 1.869 0 O-C-N 121.392 -0.817 . . . . 0.0 109.474 179.938 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 64.0 m-20 -89.05 164.34 15.1 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.547 -0.721 . . . . 0.0 109.155 179.781 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 58.8 t80 -59.95 -40.31 88.56 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.122 -0.986 . . . . 0.0 109.127 -179.611 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 46.2 mt-30 -60.14 -40.04 88.41 Favored 'General case' 0 N--CA 1.488 1.434 0 O-C-N 121.37 -0.831 . . . . 0.0 108.949 179.72 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 95.9 mt-10 -69.87 -36.75 75.73 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.382 -0.824 . . . . 0.0 109.446 179.614 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 57.7 t80 -59.95 -48.64 80.87 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.428 -0.795 . . . . 0.0 109.292 -179.457 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 74' ' ' MET . . . . . 0.519 ' SD ' ' O ' ' A' ' 74' ' ' MET . 0.0 OUTLIER -60.13 -40.17 88.82 Favored 'General case' 0 C--N 1.301 -1.536 0 N-CA-C 108.576 -0.898 . . . . 0.0 108.576 179.581 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -60.79 -36.99 80.41 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.486 -0.759 . . . . 0.0 110.49 179.928 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 36.7 t80 -60.02 -44.95 94.26 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.144 -0.972 . . . . 0.0 109.574 -178.715 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 71.9 t -65.61 -40.23 87.38 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.478 0 O-C-N 121.15 -0.969 . . . . 0.0 109.662 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 30.4 t -63.3 -40.37 97.17 Favored 'General case' 0 N--CA 1.494 1.76 0 O-C-N 121.34 -0.85 . . . . 0.0 110.832 -179.161 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 13.8 tpt -60.03 -43.84 95.04 Favored 'General case' 0 N--CA 1.494 1.739 0 O-C-N 120.908 -1.12 . . . . 0.0 109.839 -179.079 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 55.3 t -65.01 -49.0 81.73 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.666 0 O-C-N 120.901 -1.125 . . . . 0.0 109.601 179.894 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 2.8 m -70.49 -39.63 74.06 Favored 'General case' 0 N--CA 1.489 1.475 0 O-C-N 121.308 -0.87 . . . . 0.0 110.139 -179.279 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 94.2 m -60.01 -41.01 91.22 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.055 -1.028 . . . . 0.0 110.454 -178.894 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -70.39 -40.04 74.18 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.045 -1.034 . . . . 0.0 110.495 -179.6 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 74.9 m -80.2 134.38 36.12 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.155 -0.966 . . . . 0.0 111.234 -178.194 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 2.2 m-70 -82.94 -145.96 0.07 Allowed 'General case' 0 N--CA 1.489 1.511 0 N-CA-C 107.428 -1.323 . . . . 0.0 107.428 178.281 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 86' ' ' GLU . . . . . 0.445 ' H ' ' CD ' ' A' ' 86' ' ' GLU . 40.5 mp0 -59.9 -40.09 87.62 Favored 'General case' 0 C--N 1.301 -1.539 0 N-CA-C 106.989 -1.486 . . . . 0.0 106.989 178.26 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 40.1 t80 43.56 66.66 0.77 Allowed 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.637 -0.664 . . . . 0.0 110.698 178.127 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 88' ' ' PHE . . . . . 0.523 ' CG ' ' O ' ' A' ' 88' ' ' PHE . 1.9 p90 . . . . . 0 N--CA 1.494 1.727 0 O-C-N 121.155 -0.966 . . . . 0.0 109.349 179.259 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 48.2 t . . . . . 0 N--CA 1.496 1.871 0 N-CA-C 109.255 -0.646 . . . . 0.0 109.255 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' B' B ' 2' ' ' GLU . . . . . 0.444 ' H ' ' CD ' ' B' ' 2' ' ' GLU . 58.4 mp0 -59.96 -39.97 87.45 Favored 'General case' 0 C--N 1.302 -1.46 0 O-C-N 121.402 -0.811 . . . . 0.0 109.343 -179.867 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 3' ' ' LEU . . . . . 0.464 HD11 ' OE1' ' A' ' 39' ' ' GLU . 1.0 OUTLIER -62.26 -32.23 72.9 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.296 -0.877 . . . . 0.0 110.222 -179.488 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -60.01 -40.31 88.83 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 120.384 -1.447 . . . . 0.0 108.628 -179.94 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 21.5 mttp -70.06 -27.1 64.35 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.289 -0.882 . . . . 0.0 109.737 179.417 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -60.04 -42.91 95.47 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.098 -1.001 . . . . 0.0 109.758 -179.332 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 7' ' ' MET . . . . . . . . . . . . . 66.7 mtt -60.17 -39.97 88.3 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 120.773 -1.205 . . . . 0.0 108.684 179.42 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 73.8 t -69.94 -39.87 78.03 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.666 0 O-C-N 121.453 -0.779 . . . . 0.0 109.792 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.17 -46.96 87.01 Favored 'General case' 0 N--CA 1.494 1.749 0 O-C-N 121.224 -0.923 . . . . 0.0 110.529 -178.338 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -59.95 -40.13 87.97 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 120.763 -1.211 . . . . 0.0 108.764 179.802 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 88.4 mt -69.97 -41.95 79.5 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.634 0 O-C-N 121.171 -0.956 . . . . 0.0 109.402 179.727 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 11.3 t0 -64.39 -47.03 80.78 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 121.247 -0.908 . . . . 0.0 109.656 -179.751 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 54.4 t -63.84 -41.3 92.11 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.471 0 O-C-N 121.267 -0.895 . . . . 0.0 109.021 179.91 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 14' ' ' PHE . . . . . . . . . . . . . 58.2 t80 -60.04 -49.95 75.65 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.393 -0.817 . . . . 0.0 109.505 179.549 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 82.6 t60 -70.37 -44.15 68.66 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.584 -0.697 . . . . 0.0 111.262 -179.201 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 30.3 tt0 -60.06 -48.68 80.7 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 120.939 -1.1 . . . . 0.0 110.379 -178.648 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 4.3 m-85 -69.93 -36.23 75.16 Favored 'General case' 0 N--CA 1.495 1.776 0 O-C-N 121.088 -1.007 . . . . 0.0 110.522 -179.621 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 20.0 t -59.66 -40.13 86.74 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 120.718 -1.239 . . . . 0.0 109.892 -178.696 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -81.89 -6.99 88.51 Favored Glycine 0 N--CA 1.492 2.427 0 C-N-CA 120.088 -1.053 . . . . 0.0 111.202 -179.493 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 20' ' ' ARG . . . . . 0.593 ' C ' ' HE ' ' B' ' 20' ' ' ARG . 0.0 OUTLIER -70.09 -29.38 66.34 Favored 'General case' 0 N--CA 1.495 1.811 0 O-C-N 120.611 -1.523 . . . . 0.0 110.721 -178.808 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 86.4 tt0 -108.47 -87.67 0.49 Allowed 'General case' 0 N--CA 1.499 2.014 0 O-C-N 121.233 -0.917 . . . . 0.0 110.134 -179.174 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . -92.95 -154.61 31.3 Favored Glycine 0 N--CA 1.496 2.679 0 N-CA-C 109.868 -1.293 . . . . 0.0 109.868 -179.549 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 23' ' ' ASP . . . . . 0.533 ' OD1' ' CE1' ' B' ' 25' ' ' HIS . 34.5 p-10 -74.76 165.14 25.72 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.282 -1.128 . . . . 0.0 109.101 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 24' ' ' LYS . . . . . 0.49 ' CD ' ' H ' ' B' ' 24' ' ' LYS . 0.0 OUTLIER -84.5 105.47 15.34 Favored 'General case' 0 N--CA 1.497 1.924 0 O-C-N 121.103 -0.998 . . . . 0.0 109.697 -178.861 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' B' B ' 25' ' ' HIS . . . . . 0.566 ' CG ' ' N ' ' B' ' 26' ' ' LYS . 7.9 p-80 -169.85 -48.42 0.02 OUTLIER 'General case' 0 N--CA 1.494 1.729 0 O-C-N 121.107 -0.995 . . . . 0.0 109.781 179.215 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 26' ' ' LYS . . . . . 0.566 ' N ' ' CG ' ' B' ' 25' ' ' HIS . 47.1 mtpt -141.67 157.62 44.84 Favored 'General case' 0 N--CA 1.497 1.914 0 O-C-N 121.373 -0.829 . . . . 0.0 108.792 179.517 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -108.19 138.96 43.57 Favored 'General case' 0 N--CA 1.5 2.027 0 O-C-N 121.299 -0.876 . . . . 0.0 108.943 179.761 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 44.2 mmtm -89.33 169.18 11.64 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.485 -0.76 . . . . 0.0 109.027 -179.701 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 61.7 pttt -60.02 -31.3 69.82 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.305 -0.872 . . . . 0.0 109.662 179.935 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 88.3 p -60.03 -39.73 86.9 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.229 -0.919 . . . . 0.0 109.841 -179.902 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 -67.7 -31.48 71.46 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.089 -1.007 . . . . 0.0 109.902 -179.59 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -60.0 -44.09 94.78 Favored 'General case' 0 N--CA 1.495 1.802 0 O-C-N 121.108 -0.995 . . . . 0.0 109.197 -179.558 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 58.5 tttp -60.0 -44.84 94.28 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.317 -0.864 . . . . 0.0 110.195 -179.481 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -69.45 -38.38 77.76 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 121.095 -1.003 . . . . 0.0 110.209 179.731 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 30.1 tp -59.94 -41.13 91.14 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.188 -0.945 . . . . 0.0 110.005 -178.696 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 96.9 mt -67.12 -41.23 86.75 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.786 0 O-C-N 120.986 -1.071 . . . . 0.0 110.566 -179.198 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 59.0 t30 -68.12 -34.99 77.41 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.069 -1.019 . . . . 0.0 110.138 -179.449 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 16.4 t-20 -59.99 -45.03 94.06 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.242 -0.911 . . . . 0.0 111.145 -178.557 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 39' ' ' GLU . . . . . 0.407 ' OE1' HD11 ' A' ' 3' ' ' LEU . 2.2 pt-20 -108.76 -92.85 0.42 Allowed 'General case' 0 N--CA 1.505 2.278 0 O-C-N 121.096 -1.003 . . . . 0.0 110.971 -178.591 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 70.7 mt -50.93 94.82 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.371 -0.831 . . . . 0.0 111.273 -178.122 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 90.5 p -109.77 -59.07 1.97 Allowed 'General case' 0 N--CA 1.496 1.854 0 N-CA-C 108.098 -1.075 . . . . 0.0 108.098 178.134 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 42' ' ' HIS . . . . . . . . . . . . . 86.0 t60 -67.93 -39.92 83.41 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.589 -0.694 . . . . 0.0 110.232 179.495 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 43' ' ' PHE . . . . . 0.556 ' C ' HD22 ' B' ' 44' ' ' LEU . 47.3 m-85 -59.99 -40.06 87.87 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.17 -0.956 . . . . 0.0 110.377 -178.822 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 44' ' ' LEU . . . . . 0.556 HD22 ' C ' ' B' ' 43' ' ' PHE . 4.0 mm? -116.01 109.56 17.71 Favored 'General case' 0 N--CA 1.502 2.129 0 O-C-N 121.312 -0.868 . . . . 0.0 108.964 -179.888 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 45' ' ' GLU . . . . . 0.44 ' CD ' ' H ' ' B' ' 45' ' ' GLU . 3.6 pm0 -119.83 -5.91 10.11 Favored 'General case' 0 N--CA 1.501 2.091 0 O-C-N 121.421 -0.8 . . . . 0.0 109.651 179.312 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 46' ' ' GLU . . . . . 0.406 ' N ' ' OE1' ' B' ' 46' ' ' GLU . 33.3 mp0 -84.24 -9.24 58.68 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 121.221 -0.925 . . . . 0.0 109.977 179.936 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 99.2 mt -80.05 91.45 1.68 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.623 0 O-C-N 120.846 -1.159 . . . . 0.0 109.854 -179.497 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 97.9 mttt -124.46 -29.31 3.51 Favored 'General case' 0 N--CA 1.496 1.848 0 N-CA-C 107.959 -1.126 . . . . 0.0 107.959 178.586 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 67.8 mm-40 -105.12 137.19 43.26 Favored 'General case' 0 N--CA 1.493 1.696 0 N-CA-C 108.737 -0.838 . . . . 0.0 108.737 179.459 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 4.5 pp0? -61.3 -21.21 63.75 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.237 -0.914 . . . . 0.0 109.757 -179.818 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 89.0 tt0 -59.89 -41.82 92.45 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.311 -0.868 . . . . 0.0 110.171 -178.83 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 54.5 t -60.02 -41.45 86.29 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.587 0 O-C-N 120.943 -1.098 . . . . 0.0 109.342 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 53.1 t -60.99 -42.39 92.8 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.459 0 O-C-N 121.307 -0.871 . . . . 0.0 109.676 -179.79 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 98.5 m-20 -62.98 -41.92 99.69 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.027 -1.046 . . . . 0.0 109.783 -179.941 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 61.0 tttm -66.44 -44.67 82.2 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.234 -0.916 . . . . 0.0 109.224 179.707 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 54.5 t -70.04 -40.72 78.81 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.527 0 O-C-N 121.522 -0.736 . . . . 0.0 109.831 -179.909 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 57' ' ' MET . . . . . . . . . . . . . 22.7 ttt -60.68 -42.63 97.5 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.308 -0.87 . . . . 0.0 110.821 -178.924 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -69.22 -39.99 78.22 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.223 -0.923 . . . . 0.0 110.589 -178.859 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 94.5 m -63.19 -41.89 99.26 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 121.037 -1.039 . . . . 0.0 110.538 -179.517 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 60' ' ' LEU . . . . . 0.55 HD13 ' O ' ' B' ' 60' ' ' LEU . 0.2 OUTLIER -71.63 -39.96 70.07 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.275 -0.891 . . . . 0.0 111.037 -178.407 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 94.1 m-20 -71.97 119.14 15.73 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 120.774 -1.204 . . . . 0.0 109.711 -178.927 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 66.2 mm-40 -69.94 -40.05 75.71 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.386 -0.821 . . . . 0.0 110.144 -179.888 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 63' ' ' ASP . . . . . 0.404 ' N ' ' OD1' ' B' ' 63' ' ' ASP . 30.0 p-10 -90.28 -7.94 52.16 Favored 'General case' 0 N--CA 1.495 1.775 0 O-C-N 121.191 -0.943 . . . . 0.0 110.63 -178.813 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 44.44 51.58 7.7 Favored Glycine 0 N--CA 1.497 2.711 0 N-CA-C 110.085 -1.206 . . . . 0.0 110.085 179.458 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 65' ' ' ASP . . . . . 0.414 ' OD1' ' N ' ' B' ' 65' ' ' ASP . 29.1 p-10 -88.95 -1.91 58.33 Favored 'General case' 0 N--CA 1.495 1.815 0 O-C-N 121.17 -1.194 . . . . 0.0 110.016 -179.606 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 80.65 -2.87 77.18 Favored Glycine 0 N--CA 1.492 2.406 0 N-CA-C 110.03 -1.228 . . . . 0.0 110.03 179.372 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 79.7 mm-40 -122.28 150.02 42.9 Favored 'General case' 0 N--CA 1.499 1.976 0 O-C-N 121.478 -1.013 . . . . 0.0 108.791 179.716 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 68' ' ' CYS . . . . . . . . . . . . . 3.4 m -101.05 112.09 24.46 Favored 'General case' 0 N--CA 1.496 1.833 0 O-C-N 121.291 -0.88 . . . . 0.0 109.399 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 63.4 m-20 -89.2 164.49 14.96 Favored 'General case' 0 N--CA 1.493 1.686 0 N-CA-C 109.168 -0.679 . . . . 0.0 109.168 179.612 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 58.5 t80 -59.94 -40.48 89.08 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.23 -0.919 . . . . 0.0 109.089 -179.675 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 43.7 mt-30 -59.98 -40.02 87.72 Favored 'General case' 0 N--CA 1.488 1.449 0 O-C-N 121.395 -0.816 . . . . 0.0 108.95 179.862 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 96.0 mt-10 -69.92 -36.89 75.7 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.376 -0.828 . . . . 0.0 109.467 179.727 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 73' ' ' PHE . . . . . . . . . . . . . 60.7 t80 -59.9 -48.66 80.8 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.415 -0.803 . . . . 0.0 109.33 -179.39 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 74' ' ' MET . . . . . 0.504 ' SD ' ' O ' ' B' ' 74' ' ' MET . 0.0 OUTLIER -60.03 -40.01 87.89 Favored 'General case' 0 C--N 1.3 -1.547 0 N-CA-C 108.527 -0.916 . . . . 0.0 108.527 179.487 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -60.62 -37.21 80.68 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 121.52 -0.738 . . . . 0.0 110.389 179.883 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 36.9 t80 -60.05 -45.18 93.7 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.231 -0.918 . . . . 0.0 109.622 -178.611 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 77' ' ' VAL . . . . . . . . . . . . . 78.5 t -65.49 -39.99 86.84 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.509 0 O-C-N 121.257 -0.902 . . . . 0.0 109.633 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 78' ' ' SER . . . . . . . . . . . . . 29.5 t -63.61 -40.4 96.82 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.235 -0.916 . . . . 0.0 110.795 -179.083 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 79' ' ' MET . . . . . . . . . . . . . 13.6 tpt -60.0 -43.73 95.0 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 120.917 -1.115 . . . . 0.0 109.919 -179.101 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 54.8 t -64.98 -49.08 81.43 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.674 0 O-C-N 121.0 -1.062 . . . . 0.0 109.695 179.882 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 2.7 m -70.4 -39.65 74.36 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.353 -0.842 . . . . 0.0 110.118 -179.371 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 94.6 m -60.02 -41.45 92.21 Favored 'General case' 0 N--CA 1.494 1.745 0 O-C-N 121.116 -0.99 . . . . 0.0 110.093 -178.651 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -69.98 -40.04 75.6 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.101 -0.999 . . . . 0.0 110.65 -179.438 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 84' ' ' CYS . . . . . . . . . . . . . 77.6 m -80.09 134.37 36.18 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.123 -0.986 . . . . 0.0 111.324 -178.343 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 85' ' ' HIS . . . . . . . . . . . . . 2.2 m-70 -82.79 -145.97 0.07 Allowed 'General case' 0 N--CA 1.489 1.516 0 N-CA-C 107.479 -1.304 . . . . 0.0 107.479 178.274 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 86' ' ' GLU . . . . . 0.404 ' H ' ' CD ' ' B' ' 86' ' ' GLU . 40.5 mp0 -60.06 -39.97 87.87 Favored 'General case' 0 C--N 1.302 -1.483 0 N-CA-C 107.025 -1.472 . . . . 0.0 107.025 178.24 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 87' ' ' PHE . . . . . . . . . . . . . 41.7 t80 43.55 66.54 0.79 Allowed 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.667 -0.646 . . . . 0.0 110.652 178.101 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 88' ' ' PHE . . . . . 0.528 ' CG ' ' O ' ' B' ' 88' ' ' PHE . 2.0 p90 . . . . . 0 N--CA 1.493 1.704 0 O-C-N 121.032 -1.043 . . . . 0.0 109.395 179.359 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 3.8 t . . . . . 0 N--CA 1.492 1.656 0 CA-C-O 121.529 0.68 . . . . 0.0 109.608 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 48.1 mt-10 -69.79 -39.01 76.87 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.403 -0.811 . . . . 0.0 109.537 179.797 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 51.7 tp -60.03 -47.21 86.79 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.372 -0.83 . . . . 0.0 109.584 -179.051 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 88.2 tt0 -60.01 -49.9 75.86 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.035 -1.04 . . . . 0.0 109.665 -179.686 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 37.6 ttpt -60.84 -42.83 98.54 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.27 -0.894 . . . . 0.0 109.937 179.537 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -64.07 -39.61 94.45 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.431 -0.793 . . . . 0.0 110.499 -179.326 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 12.7 ttm -59.99 -41.65 92.53 Favored 'General case' 0 N--CA 1.495 1.789 0 O-C-N 120.874 -1.141 . . . . 0.0 109.334 -179.305 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 96.4 t -67.93 -36.87 77.19 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.628 0 O-C-N 121.201 -0.937 . . . . 0.0 109.91 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -53.11 -41.7 65.27 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.125 -0.984 . . . . 0.0 110.196 -178.481 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.429 ' N ' HD12 ' A' ' 10' ' ' LEU . 11.1 mp -60.38 -42.53 96.05 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 120.815 -1.178 . . . . 0.0 108.859 179.405 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 36.5 mm -66.13 -44.06 91.9 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.678 0 O-C-N 121.196 -0.94 . . . . 0.0 109.55 179.614 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 7.1 t70 -60.42 -48.24 82.61 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.274 -0.892 . . . . 0.0 110.397 -179.762 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 95.4 t -69.31 -46.29 77.38 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.495 0 O-C-N 121.354 -0.841 . . . . 0.0 109.764 -179.103 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 62.2 t80 -60.07 -48.46 81.61 Favored 'General case' 0 C--N 1.299 -1.59 0 O-C-N 121.519 -0.738 . . . . 0.0 110.273 -179.381 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 52.1 t-80 -60.04 -41.79 93.03 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.252 -0.905 . . . . 0.0 111.145 -179.051 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 4.1 tp-100 -60.58 -53.55 56.09 Favored 'General case' 0 N--CA 1.495 1.814 0 O-C-N 120.944 -1.098 . . . . 0.0 110.514 -179.028 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 8.3 m-85 -71.93 -40.02 69.06 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.179 -0.95 . . . . 0.0 110.304 -179.528 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 18' ' ' SER . . . . . 0.424 ' O ' ' O ' ' A' ' 23' ' ' ASP . 53.5 m -60.07 -41.51 92.58 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.005 -1.06 . . . . 0.0 109.92 -178.563 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -82.82 33.79 2.82 Favored Glycine 0 N--CA 1.492 2.393 0 N-CA-C 109.988 -1.245 . . . . 0.0 109.988 179.842 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 20' ' ' ARG . . . . . 0.448 HH11 ' HG2' ' A' ' 20' ' ' ARG . 41.1 ttt-85 -59.77 -61.94 2.25 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 120.901 -1.353 . . . . 0.0 109.43 -179.123 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.524 ' O ' ' N ' ' A' ' 23' ' ' ASP . 85.9 tt0 -179.03 139.13 0.15 Allowed 'General case' 0 N--CA 1.497 1.903 0 N-CA-C 109.097 -0.705 . . . . 0.0 109.097 179.129 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 66.48 -51.15 0.2 Allowed Glycine 0 N--CA 1.494 2.535 0 N-CA-C 110.31 -1.116 . . . . 0.0 110.31 179.418 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 23' ' ' ASP . . . . . 0.524 ' N ' ' O ' ' A' ' 21' ' ' GLU . 11.7 p30 -89.1 115.67 26.8 Favored 'General case' 0 N--CA 1.497 1.901 0 O-C-N 121.119 -1.224 . . . . 0.0 109.349 -179.899 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 68.0 mttm -93.15 -80.1 0.39 Allowed 'General case' 0 N--CA 1.5 2.055 0 O-C-N 121.165 -0.959 . . . . 0.0 111.773 -178.581 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 89.1 m-70 -105.95 21.36 17.43 Favored 'General case' 0 N--CA 1.503 2.185 0 O-C-N 121.418 -0.801 . . . . 0.0 109.715 -179.031 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -133.01 153.89 51.05 Favored 'General case' 0 N--CA 1.493 1.714 0 N-CA-C 108.707 -0.849 . . . . 0.0 108.707 -179.868 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 59.1 mt -119.69 135.39 54.85 Favored 'General case' 0 N--CA 1.498 1.946 0 O-C-N 121.615 -0.678 . . . . 0.0 109.183 -179.225 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 32.5 mtmm -94.24 173.91 7.41 Favored 'General case' 0 N--CA 1.495 1.795 0 O-C-N 121.423 -0.798 . . . . 0.0 109.026 179.918 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -60.04 -40.14 88.34 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.031 -1.043 . . . . 0.0 109.399 -179.559 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 43.8 t -70.03 -45.95 66.09 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.078 -1.014 . . . . 0.0 109.538 179.645 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 31' ' ' GLU . . . . . 0.441 ' OE2' ' OD2' ' A' ' 23' ' ' ASP . 4.0 tp10 -64.11 -39.95 95.16 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.329 -0.857 . . . . 0.0 109.661 179.838 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.689 HD13 ' C ' ' A' ' 32' ' ' LEU . 3.1 tm? -59.97 -49.07 79.12 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.324 -0.86 . . . . 0.0 109.778 -178.335 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 84.1 tttt -62.2 -40.66 96.83 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.089 -1.007 . . . . 0.0 109.975 -179.903 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 41.6 tt0 -62.64 -40.08 95.87 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.25 -0.907 . . . . 0.0 110.285 -179.439 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 7.0 tt -59.94 -48.18 82.74 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.133 -0.979 . . . . 0.0 109.9 -179.332 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.455 ' O ' ' O ' ' A' ' 39' ' ' GLU . 97.7 mt -65.77 -40.04 86.57 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.519 0 O-C-N 121.066 -1.021 . . . . 0.0 110.284 -179.86 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 73.3 m-20 -60.08 -49.55 77.22 Favored 'General case' 0 C--N 1.302 -1.491 0 O-C-N 120.748 -1.22 . . . . 0.0 110.423 -178.403 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 19.8 t-20 -80.49 -40.29 26.42 Favored 'General case' 0 N--CA 1.495 1.785 0 O-C-N 120.916 -1.115 . . . . 0.0 110.777 -179.605 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 39' ' ' GLU . . . . . 0.455 ' O ' ' O ' ' A' ' 36' ' ' ILE . 98.3 mt-10 -108.37 158.18 17.74 Favored 'General case' 0 N--CA 1.501 2.125 0 O-C-N 121.296 -0.877 . . . . 0.0 110.225 -178.76 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 5.9 tp 60.93 11.4 3.28 Favored 'General case' 0 C--N 1.302 -1.496 0 N-CA-C 108.383 -0.969 . . . . 0.0 108.383 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 41' ' ' SER . . . . . 0.439 ' O ' ' O ' ' A' ' 44' ' ' LEU . 51.7 p -70.02 -38.73 75.99 Favored 'General case' 0 N--CA 1.487 1.403 0 O-C-N 121.614 -0.679 . . . . 0.0 109.43 179.831 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 82.3 m-70 -68.64 -41.07 79.94 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.255 -0.903 . . . . 0.0 109.896 -179.479 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 2.1 t80 -71.91 -39.92 69.17 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.261 -0.9 . . . . 0.0 110.186 -179.044 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.439 ' O ' ' O ' ' A' ' 41' ' ' SER . 28.7 tp -122.06 147.74 45.73 Favored 'General case' 0 N--CA 1.503 2.219 0 O-C-N 121.306 -0.871 . . . . 0.0 109.513 -179.101 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -71.69 150.01 44.94 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.141 -0.975 . . . . 0.0 108.808 179.131 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 -67.06 147.55 53.03 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.059 -1.026 . . . . 0.0 109.91 -179.671 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 95.8 mt -93.45 130.13 42.9 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.806 0 O-C-N 121.498 -0.751 . . . . 0.0 109.577 -179.678 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 57.0 mtpt -100.18 -16.38 17.8 Favored 'General case' 0 N--CA 1.496 1.87 0 O-C-N 121.26 -0.9 . . . . 0.0 110.613 -179.003 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 49' ' ' GLU . . . . . 0.433 ' OE1' ' N ' ' A' ' 49' ' ' GLU . 53.7 mp0 -110.16 130.22 55.58 Favored 'General case' 0 N--CA 1.505 2.292 0 O-C-N 121.258 -0.901 . . . . 0.0 110.428 -179.691 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 94.2 mt-30 -70.06 -26.98 64.27 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.62 -0.675 . . . . 0.0 109.814 179.124 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 88.4 tt0 -60.0 -40.07 87.93 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.335 -0.853 . . . . 0.0 109.827 -178.476 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 57.7 t -60.21 -43.34 93.04 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.595 0 O-C-N 121.017 -1.052 . . . . 0.0 108.96 179.388 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 76.9 t -61.0 -41.03 87.58 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.622 0 O-C-N 121.239 -0.913 . . . . 0.0 109.478 -179.864 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 7.1 t70 -59.99 -49.97 75.58 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.178 -0.951 . . . . 0.0 110.856 -179.444 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 9.1 mtmp? -61.45 -39.98 92.8 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 120.994 -1.066 . . . . 0.0 109.27 -179.226 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 55.4 t -62.19 -40.93 89.45 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.496 0 O-C-N 121.335 -0.853 . . . . 0.0 109.59 179.718 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 53.3 tpp -59.99 -43.03 95.42 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.186 -0.946 . . . . 0.0 109.773 -179.609 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 97.8 mt-10 -60.5 -40.48 91.51 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.202 -0.936 . . . . 0.0 110.371 -179.587 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 88.5 m -62.54 -42.53 99.59 Favored 'General case' 0 C--N 1.301 -1.543 0 O-C-N 121.365 -0.834 . . . . 0.0 109.854 -179.123 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.436 ' O ' ' N ' ' A' ' 62' ' ' GLU . 21.5 mt -82.2 -11.88 58.44 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 121.243 -0.911 . . . . 0.0 110.755 -179.604 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 99.9 m-20 -70.59 51.13 0.13 Allowed 'General case' 0 N--CA 1.493 1.683 0 O-C-N 120.88 -1.138 . . . . 0.0 109.612 -179.657 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 62' ' ' GLU . . . . . 0.436 ' N ' ' O ' ' A' ' 60' ' ' LEU . 76.3 mm-40 -61.65 -40.08 93.63 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.38 -0.825 . . . . 0.0 109.65 179.929 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 42.6 p-10 -82.53 -9.41 59.43 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 121.138 -0.976 . . . . 0.0 109.971 -179.47 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 65.08 31.04 79.51 Favored Glycine 0 N--CA 1.492 2.432 0 C-N-CA 119.893 -1.146 . . . . 0.0 110.266 179.252 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 65' ' ' ASP . . . . . 0.438 ' OD2' ' O ' ' A' ' 67' ' ' GLU . 31.8 p-10 -83.88 -9.69 58.55 Favored 'General case' 0 N--CA 1.495 1.776 0 O-C-N 120.961 -1.317 . . . . 0.0 109.949 -179.903 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 73.01 6.75 68.87 Favored Glycine 0 N--CA 1.493 2.439 0 N-CA-C 110.375 -1.09 . . . . 0.0 110.375 179.47 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 67' ' ' GLU . . . . . 0.438 ' O ' ' OD2' ' A' ' 65' ' ' ASP . 16.0 pt-20 -148.12 159.97 43.38 Favored 'General case' 0 N--CA 1.496 1.861 0 O-C-N 121.007 -1.29 . . . . 0.0 109.73 -179.691 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 22.5 t -99.52 113.57 26.05 Favored 'General case' 0 N--CA 1.498 1.949 0 O-C-N 121.17 -0.956 . . . . 0.0 109.352 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 70.5 m-20 -97.52 -178.7 4.22 Favored 'General case' 0 N--CA 1.497 1.875 0 O-C-N 121.406 -0.809 . . . . 0.0 110.191 -179.518 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 58.5 t80 -59.99 -44.66 94.38 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.379 -0.825 . . . . 0.0 109.902 -179.737 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 12.6 pt20 -60.04 -47.13 87.13 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 120.879 -1.138 . . . . 0.0 108.455 179.456 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 78.0 tt0 -64.32 -36.84 85.42 Favored 'General case' 0 C--N 1.301 -1.502 0 O-C-N 121.538 -0.726 . . . . 0.0 109.291 178.851 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 64.4 t80 -59.97 -41.93 93.01 Favored 'General case' 0 N--CA 1.494 1.761 0 O-C-N 121.233 -0.917 . . . . 0.0 109.688 -179.72 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 11.0 tpt -60.03 -39.99 87.79 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.039 -1.038 . . . . 0.0 109.161 179.569 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -60.06 -36.04 76.47 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.555 -0.716 . . . . 0.0 109.601 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 13.5 t80 -59.95 -48.03 83.37 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.149 -0.97 . . . . 0.0 109.017 -179.19 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 86.5 t -65.1 -40.53 89.19 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.618 0 O-C-N 121.293 -0.88 . . . . 0.0 109.505 179.921 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 78' ' ' SER . . . . . 0.447 ' O ' HG23 ' A' ' 82' ' ' THR . 77.3 p -60.76 -36.21 78.35 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.395 -0.816 . . . . 0.0 109.684 179.808 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 28.2 ttt -60.09 -40.09 88.41 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.318 -0.864 . . . . 0.0 109.84 -178.89 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 53.0 t -68.28 -40.14 82.13 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.556 0 O-C-N 121.096 -1.003 . . . . 0.0 109.032 179.869 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 76.0 p -69.94 -40.39 75.52 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.238 -0.914 . . . . 0.0 110.189 -179.887 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 82' ' ' THR . . . . . 0.447 HG23 ' O ' ' A' ' 78' ' ' SER . 40.6 p -64.08 -39.67 94.57 Favored 'General case' 0 C--N 1.302 -1.461 0 O-C-N 121.109 -0.994 . . . . 0.0 109.152 179.854 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -68.39 -27.94 66.67 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.477 -0.764 . . . . 0.0 109.837 -179.93 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 51.4 t -46.74 107.85 0.12 Allowed 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.114 -0.991 . . . . 0.0 109.514 -179.875 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 7.1 t60 -138.96 114.28 9.62 Favored 'General case' 0 N--CA 1.496 1.857 0 O-C-N 121.32 -0.863 . . . . 0.0 108.899 179.906 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 21.8 tp10 65.33 22.4 12.04 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.491 -0.756 . . . . 0.0 109.358 -179.654 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 87' ' ' PHE . . . . . 0.428 ' O ' ' O ' ' A' ' 88' ' ' PHE . 2.7 m-85 -89.98 -81.41 0.29 Allowed 'General case' 0 N--CA 1.498 1.946 0 O-C-N 120.968 -1.083 . . . . 0.0 108.48 179.337 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 88' ' ' PHE . . . . . 0.428 ' O ' ' O ' ' A' ' 87' ' ' PHE . 95.3 m-85 . . . . . 0 N--CA 1.496 1.841 0 CA-C-O 121.221 0.534 . . . . 0.0 110.784 179.255 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 3.3 t . . . . . 0 N--CA 1.49 1.541 0 CA-C-O 121.542 0.687 . . . . 0.0 109.524 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 48.4 mt-10 -69.89 -39.13 76.45 Favored 'General case' 0 N--CA 1.489 1.475 0 O-C-N 121.379 -0.826 . . . . 0.0 109.477 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 46.2 tp -60.0 -47.37 86.11 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.474 -0.766 . . . . 0.0 109.583 -179.123 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 88.2 tt0 -59.97 -49.85 76.06 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 120.954 -1.091 . . . . 0.0 109.704 -179.607 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 37.1 ttpt -60.84 -42.77 98.45 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.113 -0.992 . . . . 0.0 109.905 179.487 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -63.85 -39.86 95.21 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.398 -0.814 . . . . 0.0 110.506 -179.456 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 7' ' ' MET . . . . . . . . . . . . . 17.1 ttm -59.98 -41.57 92.28 Favored 'General case' 0 N--CA 1.494 1.768 0 O-C-N 120.768 -1.208 . . . . 0.0 109.398 -179.353 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 88.0 t -67.8 -37.73 79.0 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.512 0 O-C-N 121.26 -0.9 . . . . 0.0 109.864 -179.853 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -52.94 -40.65 63.81 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.179 -0.95 . . . . 0.0 110.255 -178.442 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 10' ' ' LEU . . . . . 0.435 HD12 ' N ' ' B' ' 10' ' ' LEU . 11.0 mp -61.28 -42.09 98.05 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 120.793 -1.192 . . . . 0.0 108.819 179.369 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 37.1 mm -66.54 -43.91 90.45 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.657 0 O-C-N 121.194 -0.941 . . . . 0.0 109.53 179.476 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 7.1 t70 -60.18 -48.5 81.45 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.365 -0.834 . . . . 0.0 110.357 -179.702 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 94.0 t -68.88 -46.58 78.93 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.518 0 O-C-N 121.387 -0.821 . . . . 0.0 109.866 -179.157 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 14' ' ' PHE . . . . . . . . . . . . . 60.2 t80 -59.97 -48.18 82.75 Favored 'General case' 0 C--N 1.301 -1.501 0 O-C-N 121.485 -0.759 . . . . 0.0 110.264 -179.468 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 53.3 t-80 -60.1 -42.14 94.03 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.228 -0.92 . . . . 0.0 111.15 -179.059 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 4.1 tp-100 -60.45 -53.4 58.0 Favored 'General case' 0 N--CA 1.496 1.835 0 O-C-N 120.99 -1.069 . . . . 0.0 110.49 -178.875 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 8.4 m-85 -71.95 -40.15 68.87 Favored 'General case' 0 N--CA 1.494 1.762 0 O-C-N 121.272 -0.893 . . . . 0.0 110.277 -179.462 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 18' ' ' SER . . . . . 0.425 ' O ' ' O ' ' B' ' 23' ' ' ASP . 55.6 m -59.91 -41.93 92.76 Favored 'General case' 0 C--N 1.3 -1.558 0 O-C-N 121.047 -1.033 . . . . 0.0 110.12 -178.762 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -82.63 33.88 2.77 Favored Glycine 0 N--CA 1.492 2.41 0 N-CA-C 109.902 -1.279 . . . . 0.0 109.902 179.793 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 20' ' ' ARG . . . . . 0.462 HH11 ' HG2' ' B' ' 20' ' ' ARG . 37.3 ttt-85 -59.67 -61.82 2.34 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 120.904 -1.351 . . . . 0.0 109.529 -179.193 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 21' ' ' GLU . . . . . 0.471 ' O ' ' N ' ' B' ' 23' ' ' ASP . 85.6 tt0 -179.26 139.19 0.14 Allowed 'General case' 0 N--CA 1.497 1.906 0 N-CA-C 109.029 -0.73 . . . . 0.0 109.029 179.257 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . 66.31 -51.25 0.19 Allowed Glycine 0 N--CA 1.493 2.473 0 N-CA-C 110.334 -1.106 . . . . 0.0 110.334 179.333 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 23' ' ' ASP . . . . . 0.506 ' N ' ' OD1' ' B' ' 23' ' ' ASP . 12.1 p30 -89.07 115.76 26.85 Favored 'General case' 0 N--CA 1.497 1.898 0 O-C-N 121.158 -1.201 . . . . 0.0 109.414 -179.799 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 68.0 mttm -92.91 -80.36 0.38 Allowed 'General case' 0 N--CA 1.5 2.054 0 O-C-N 121.248 -0.907 . . . . 0.0 111.986 -178.449 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 25' ' ' HIS . . . . . . . . . . . . . 88.3 m-70 -105.97 21.54 17.14 Favored 'General case' 0 N--CA 1.502 2.173 0 O-C-N 121.326 -0.859 . . . . 0.0 109.633 -179.012 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -133.6 153.45 51.65 Favored 'General case' 0 N--CA 1.493 1.678 0 N-CA-C 108.719 -0.845 . . . . 0.0 108.719 -179.672 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 53.7 mt -119.31 136.13 54.39 Favored 'General case' 0 N--CA 1.496 1.85 0 O-C-N 121.531 -0.73 . . . . 0.0 109.138 -179.175 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 31.5 mtmm -94.62 173.79 7.44 Favored 'General case' 0 N--CA 1.494 1.764 0 O-C-N 121.408 -0.807 . . . . 0.0 108.99 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -60.0 -39.99 87.67 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.035 -1.041 . . . . 0.0 109.506 -179.585 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 46.1 t -70.31 -45.35 66.44 Favored 'General case' 0 N--CA 1.488 1.465 0 O-C-N 121.054 -1.029 . . . . 0.0 109.511 179.663 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 31' ' ' GLU . . . . . 0.43 ' OE2' ' OD2' ' B' ' 23' ' ' ASP . 4.0 tp10 -64.73 -39.93 94.47 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.345 -0.847 . . . . 0.0 109.649 179.806 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 32' ' ' LEU . . . . . 0.696 ' C ' HD13 ' B' ' 32' ' ' LEU . 3.0 tm? -60.02 -49.5 77.43 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.228 -0.92 . . . . 0.0 109.398 -178.232 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 84.4 tttt -61.52 -40.91 96.32 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.092 -1.005 . . . . 0.0 110.051 -179.801 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 41.7 tt0 -62.6 -39.95 95.37 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.349 -0.845 . . . . 0.0 110.363 -179.441 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 6.7 tt -60.02 -48.21 82.65 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.178 -0.951 . . . . 0.0 109.905 -179.301 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 36' ' ' ILE . . . . . 0.456 ' O ' ' O ' ' B' ' 39' ' ' GLU . 96.6 mt -65.86 -40.05 86.45 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.583 0 O-C-N 121.038 -1.039 . . . . 0.0 110.188 -179.655 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 75.6 m-20 -59.95 -49.62 76.96 Favored 'General case' 0 C--N 1.301 -1.502 0 O-C-N 120.86 -1.15 . . . . 0.0 110.434 -178.535 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 19.6 t-20 -80.42 -40.34 26.58 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 120.927 -1.108 . . . . 0.0 110.757 -179.601 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 39' ' ' GLU . . . . . 0.456 ' O ' ' O ' ' B' ' 36' ' ' ILE . 98.1 mt-10 -108.7 158.04 17.98 Favored 'General case' 0 N--CA 1.501 2.1 0 O-C-N 121.162 -0.961 . . . . 0.0 110.284 -178.704 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 6.0 tp 60.96 11.76 3.51 Favored 'General case' 0 C--N 1.302 -1.484 0 N-CA-C 108.329 -0.989 . . . . 0.0 108.329 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 41' ' ' SER . . . . . 0.443 ' O ' ' O ' ' B' ' 44' ' ' LEU . 53.4 p -70.23 -38.76 75.29 Favored 'General case' 0 N--CA 1.487 1.411 0 O-C-N 121.61 -0.681 . . . . 0.0 109.358 179.495 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 42' ' ' HIS . . . . . . . . . . . . . 79.0 m-70 -68.25 -41.56 80.96 Favored 'General case' 0 N--CA 1.488 1.441 0 O-C-N 121.209 -0.932 . . . . 0.0 109.852 -179.41 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 2.0 t80 -72.02 -39.99 68.79 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.348 -0.845 . . . . 0.0 110.354 -179.142 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 44' ' ' LEU . . . . . 0.443 ' O ' ' O ' ' B' ' 41' ' ' SER . 35.2 tp -121.35 147.71 45.33 Favored 'General case' 0 N--CA 1.506 2.332 0 O-C-N 121.37 -0.831 . . . . 0.0 109.528 -179.301 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -71.7 149.84 45.09 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.1 -1.0 . . . . 0.0 108.746 178.988 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -66.99 147.81 52.75 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 120.95 -1.094 . . . . 0.0 109.867 -179.56 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 92.9 mt -93.42 129.9 43.21 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.759 0 O-C-N 121.502 -0.749 . . . . 0.0 109.613 -179.594 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 57.4 mtpt -99.97 -16.49 17.93 Favored 'General case' 0 N--CA 1.496 1.862 0 O-C-N 121.356 -0.84 . . . . 0.0 110.707 -178.979 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 49' ' ' GLU . . . . . 0.435 ' OE1' ' N ' ' B' ' 49' ' ' GLU . 52.0 mp0 -110.06 130.19 55.57 Favored 'General case' 0 N--CA 1.503 2.206 0 O-C-N 121.281 -0.887 . . . . 0.0 110.438 -179.692 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 94.4 mt-30 -70.39 -26.74 63.85 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.654 -0.654 . . . . 0.0 109.609 179.3 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -59.94 -40.07 87.67 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.158 -0.964 . . . . 0.0 109.889 -178.525 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 58.7 t -60.3 -43.27 93.21 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.571 0 O-C-N 121.006 -1.058 . . . . 0.0 109.008 179.298 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 73.9 t -60.81 -41.05 87.11 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.581 0 O-C-N 121.239 -0.913 . . . . 0.0 109.4 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 7.4 t70 -59.98 -50.02 75.38 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.239 -0.913 . . . . 0.0 110.837 -179.293 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 9.0 mtmp? -61.53 -40.07 93.34 Favored 'General case' 0 C--N 1.303 -1.456 0 O-C-N 120.913 -1.117 . . . . 0.0 109.308 -179.126 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 55.5 t -62.35 -40.38 87.68 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.527 0 O-C-N 121.264 -0.898 . . . . 0.0 109.535 179.812 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 57' ' ' MET . . . . . . . . . . . . . 49.8 tpp -60.14 -43.43 95.72 Favored 'General case' 0 N--CA 1.494 1.749 0 O-C-N 121.236 -0.915 . . . . 0.0 109.708 -179.649 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -60.52 -40.46 91.52 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.094 -1.004 . . . . 0.0 110.27 -179.49 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 92.7 m -62.03 -42.71 99.46 Favored 'General case' 0 C--N 1.301 -1.503 0 O-C-N 121.364 -0.835 . . . . 0.0 109.796 -179.091 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 60' ' ' LEU . . . . . 0.465 ' O ' ' N ' ' B' ' 62' ' ' GLU . 30.8 mt -82.0 -12.31 58.39 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.254 -0.904 . . . . 0.0 110.739 -179.693 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 99.5 m-20 -70.51 51.65 0.13 Allowed 'General case' 0 N--CA 1.492 1.665 0 O-C-N 120.793 -1.192 . . . . 0.0 109.586 -179.46 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 62' ' ' GLU . . . . . 0.465 ' N ' ' O ' ' B' ' 60' ' ' LEU . 76.6 mm-40 -61.97 -40.02 94.16 Favored 'General case' 0 N--CA 1.487 1.422 0 O-C-N 121.299 -0.876 . . . . 0.0 109.543 179.908 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 41.9 p-10 -82.47 -9.26 59.5 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 121.029 -1.044 . . . . 0.0 110.049 -179.464 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 65.21 30.49 77.94 Favored Glycine 0 N--CA 1.492 2.421 0 C-N-CA 119.805 -1.188 . . . . 0.0 110.302 179.195 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 65' ' ' ASP . . . . . 0.434 ' OD2' ' O ' ' B' ' 67' ' ' GLU . 32.2 p-10 -83.6 -9.87 58.62 Favored 'General case' 0 N--CA 1.494 1.772 0 O-C-N 121.02 -1.282 . . . . 0.0 109.971 -179.87 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 73.02 6.84 69.17 Favored Glycine 0 N--CA 1.492 2.423 0 N-CA-C 110.184 -1.166 . . . . 0.0 110.184 179.395 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 67' ' ' GLU . . . . . 0.434 ' O ' ' OD2' ' B' ' 65' ' ' ASP . 16.2 pt-20 -148.27 160.25 43.15 Favored 'General case' 0 N--CA 1.495 1.814 0 O-C-N 120.879 -1.366 . . . . 0.0 109.728 -179.723 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 68' ' ' CYS . . . . . . . . . . . . . 34.4 t -99.57 113.82 26.46 Favored 'General case' 0 N--CA 1.499 2.019 0 O-C-N 121.239 -0.913 . . . . 0.0 109.387 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 70.6 m-20 -98.05 -178.05 3.94 Favored 'General case' 0 N--CA 1.499 1.994 0 O-C-N 121.267 -0.896 . . . . 0.0 109.998 -179.702 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 62.7 t80 -59.97 -45.2 93.44 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.488 -0.757 . . . . 0.0 109.988 -179.616 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 12.5 pt20 -59.98 -47.15 87.0 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 120.905 -1.122 . . . . 0.0 108.443 179.669 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 80.8 tt0 -64.59 -35.94 82.64 Favored 'General case' 0 C--N 1.301 -1.508 0 O-C-N 121.523 -0.736 . . . . 0.0 109.239 178.845 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 73' ' ' PHE . . . . . . . . . . . . . 65.0 t80 -59.92 -42.35 93.73 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 121.264 -0.898 . . . . 0.0 109.698 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 74' ' ' MET . . . . . . . . . . . . . 11.1 tpt -59.94 -40.15 87.99 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.155 -0.966 . . . . 0.0 109.182 179.765 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -60.09 -35.75 75.89 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.404 -0.81 . . . . 0.0 109.743 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 13.3 t80 -59.97 -47.94 83.74 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.22 -0.925 . . . . 0.0 108.908 -179.32 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 77' ' ' VAL . . . . . . . . . . . . . 96.0 t -65.06 -40.75 90.0 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.666 0 O-C-N 121.307 -0.87 . . . . 0.0 109.441 179.941 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 78' ' ' SER . . . . . 0.425 ' O ' HG23 ' B' ' 82' ' ' THR . 77.9 p -60.64 -36.17 78.01 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.505 -0.747 . . . . 0.0 109.728 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 79' ' ' MET . . . . . . . . . . . . . 28.2 ttt -60.05 -40.18 88.56 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.3 -0.875 . . . . 0.0 109.772 -178.782 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 54.5 t -68.41 -40.02 81.67 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.487 0 O-C-N 121.127 -0.983 . . . . 0.0 109.083 179.853 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 68.9 p -69.74 -40.68 76.03 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.271 -0.893 . . . . 0.0 110.098 -179.884 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 82' ' ' THR . . . . . 0.425 HG23 ' O ' ' B' ' 78' ' ' SER . 39.9 p -63.92 -39.65 94.65 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.155 -0.966 . . . . 0.0 109.261 179.864 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -68.52 -27.81 66.44 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.324 -0.86 . . . . 0.0 109.728 -179.812 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 84' ' ' CYS . . . . . . . . . . . . . 52.8 t -46.48 107.9 0.12 Allowed 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.277 -0.89 . . . . 0.0 109.485 -179.919 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 85' ' ' HIS . . . . . . . . . . . . . 7.1 t60 -139.41 113.99 9.18 Favored 'General case' 0 N--CA 1.496 1.848 0 O-C-N 121.272 -0.893 . . . . 0.0 108.897 179.896 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 21.5 tp10 65.61 22.27 11.7 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.556 -0.715 . . . . 0.0 109.345 -179.617 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 87' ' ' PHE . . . . . 0.42 ' O ' ' C ' ' B' ' 88' ' ' PHE . 2.6 m-85 -90.03 -80.72 0.31 Allowed 'General case' 0 N--CA 1.498 1.934 0 O-C-N 121.023 -1.048 . . . . 0.0 108.54 179.445 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 88' ' ' PHE . . . . . 0.42 ' C ' ' O ' ' B' ' 87' ' ' PHE . 94.9 m-85 . . . . . 0 N--CA 1.496 1.837 0 O-C-N 121.82 -0.55 . . . . 0.0 110.899 179.256 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 22.6 t . . . . . 0 N--CA 1.49 1.533 0 CA-C-O 121.666 0.746 . . . . 0.0 109.488 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 39.7 mt-10 -69.86 -28.9 66.04 Favored 'General case' 0 C--N 1.302 -1.49 0 O-C-N 121.575 -0.703 . . . . 0.0 109.977 179.173 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 66.2 tp -59.79 -49.79 76.35 Favored 'General case' 0 N--CA 1.496 1.835 0 O-C-N 121.315 -0.866 . . . . 0.0 109.199 -179.676 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 53.6 tp10 -62.06 -40.57 96.24 Favored 'General case' 0 C--N 1.295 -1.785 0 O-C-N 120.828 -1.17 . . . . 0.0 109.28 179.283 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 2.2 tpmt? -60.16 -42.69 95.48 Favored 'General case' 0 N--CA 1.488 1.449 0 O-C-N 121.203 -0.936 . . . . 0.0 109.916 -179.919 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -61.31 -37.81 84.58 Favored 'General case' 0 C--N 1.299 -1.602 0 O-C-N 121.091 -1.006 . . . . 0.0 109.234 179.797 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 56.6 ttm -60.83 -47.6 85.61 Favored 'General case' 0 N--CA 1.488 1.464 0 O-C-N 121.444 -0.785 . . . . 0.0 109.547 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 73.8 t -63.75 -42.8 97.17 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.857 0 O-C-N 121.433 -0.792 . . . . 0.0 109.916 -179.813 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -63.05 -39.97 96.32 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.536 -0.728 . . . . 0.0 109.617 -179.162 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 56.5 tp -59.98 -45.79 91.55 Favored 'General case' 0 C--N 1.302 -1.466 0 O-C-N 121.126 -0.984 . . . . 0.0 109.336 -179.496 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 96.4 mt -64.71 -40.98 90.93 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.906 0 O-C-N 121.256 -0.902 . . . . 0.0 110.209 -179.82 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 19.7 t0 -60.42 -44.16 96.03 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 121.282 -0.886 . . . . 0.0 110.585 -178.807 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 54.7 t -61.24 -47.62 92.66 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.489 0 O-C-N 121.066 -1.021 . . . . 0.0 109.714 -179.214 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 63.5 t80 -61.28 -49.87 75.29 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.001 -1.062 . . . . 0.0 109.38 -179.704 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 15' ' ' HIS . . . . . 0.448 ' O ' ' N ' ' A' ' 19' ' ' GLY . 86.7 t60 -62.98 -40.63 98.32 Favored 'General case' 0 N--CA 1.487 1.423 0 O-C-N 121.168 -0.958 . . . . 0.0 109.6 179.496 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 27.7 tp60 -62.95 -51.83 65.37 Favored 'General case' 0 N--CA 1.493 1.718 0 O-C-N 121.234 -0.916 . . . . 0.0 110.514 -178.609 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 48.4 t80 -66.33 -48.68 69.49 Favored 'General case' 0 N--CA 1.488 1.426 0 O-C-N 120.822 -1.174 . . . . 0.0 109.528 -179.892 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 18' ' ' SER . . . . . 0.424 ' O ' ' O ' ' A' ' 21' ' ' GLU . 91.7 p -67.32 -39.61 85.88 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.454 -0.779 . . . . 0.0 109.893 -179.939 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 19' ' ' GLY . . . . . 0.448 ' N ' ' O ' ' A' ' 15' ' ' HIS . . . -64.25 -48.52 73.76 Favored Glycine 0 N--CA 1.489 2.221 0 C-N-CA 119.746 -1.216 . . . . 0.0 111.16 -178.903 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -61.66 -41.92 98.2 Favored 'General case' 0 N--CA 1.497 1.879 0 O-C-N 120.947 -1.326 . . . . 0.0 110.376 -178.661 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.424 ' O ' ' O ' ' A' ' 18' ' ' SER . 96.1 mt-10 -103.95 130.67 51.59 Favored 'General case' 0 N--CA 1.504 2.245 0 O-C-N 121.038 -1.039 . . . . 0.0 110.103 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 80.36 -15.81 16.3 Favored Glycine 0 N--CA 1.49 2.296 0 N-CA-C 110.373 -1.091 . . . . 0.0 110.373 179.271 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 89.7 m-20 51.92 51.13 17.12 Favored 'General case' 0 N--CA 1.497 1.901 0 O-C-N 120.999 -1.295 . . . . 0.0 109.826 179.916 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 24' ' ' LYS . . . . . 0.412 ' HG3' ' H ' ' A' ' 25' ' ' HIS . 5.3 tptm -165.01 -173.95 3.12 Favored 'General case' 0 N--CA 1.495 1.778 0 O-C-N 120.976 -1.077 . . . . 0.0 109.186 -179.688 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 25' ' ' HIS . . . . . 0.412 ' H ' ' HG3' ' A' ' 24' ' ' LYS . 45.5 m80 -109.1 26.56 10.48 Favored 'General case' 0 N--CA 1.501 2.121 0 O-C-N 121.176 -0.952 . . . . 0.0 110.788 -178.582 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 22.1 pttp -130.08 154.14 47.75 Favored 'General case' 0 N--CA 1.501 2.08 0 O-C-N 121.099 -1.001 . . . . 0.0 108.881 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 38.3 mt -126.07 141.12 52.08 Favored 'General case' 0 N--CA 1.501 2.088 0 O-C-N 121.266 -0.896 . . . . 0.0 109.669 -179.071 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -96.41 -179.81 4.76 Favored 'General case' 0 N--CA 1.502 2.145 0 O-C-N 121.184 -0.947 . . . . 0.0 109.373 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 12.0 ttmm -60.15 -44.4 95.0 Favored 'General case' 0 N--CA 1.495 1.803 0 O-C-N 121.454 -0.779 . . . . 0.0 111.278 -178.558 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 73.3 m -60.05 -41.73 92.93 Favored 'General case' 0 N--CA 1.497 1.892 0 O-C-N 120.371 -1.456 . . . . 0.0 109.99 -179.085 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -70.5 -40.25 73.66 Favored 'General case' 0 N--CA 1.496 1.863 0 O-C-N 121.331 -0.856 . . . . 0.0 110.775 -179.568 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.64 HD13 ' C ' ' A' ' 32' ' ' LEU . 2.9 tm? -60.16 -41.1 92.07 Favored 'General case' 0 N--CA 1.495 1.824 0 O-C-N 121.228 -0.92 . . . . 0.0 109.691 -179.103 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 81.2 tttt -59.76 -42.41 93.22 Favored 'General case' 0 C--N 1.304 -1.38 0 O-C-N 120.231 -1.543 . . . . 0.0 108.291 178.397 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 79.4 mm-40 -65.98 -38.53 88.78 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.479 -0.763 . . . . 0.0 110.22 -179.553 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.517 HD13 ' O ' ' A' ' 35' ' ' LEU . 0.2 OUTLIER -57.89 -46.85 84.27 Favored 'General case' 0 N--CA 1.497 1.901 0 O-C-N 121.381 -0.825 . . . . 0.0 110.517 -178.597 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 96.6 mt -60.17 -49.48 83.94 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.88 0 O-C-N 120.641 -1.287 . . . . 0.0 109.67 -179.026 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 86.3 m-20 -73.92 -27.23 60.92 Favored 'General case' 0 N--CA 1.488 1.427 0 O-C-N 121.168 -0.958 . . . . 0.0 109.979 179.587 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 11.0 t-20 -60.42 -48.24 82.6 Favored 'General case' 0 N--CA 1.497 1.897 0 O-C-N 120.916 -1.115 . . . . 0.0 111.809 -178.529 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 42.1 mt-10 -120.05 -27.8 5.26 Favored 'General case' 0 N--CA 1.505 2.304 0 O-C-N 121.134 -0.979 . . . . 0.0 111.475 -177.609 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 75.1 mt -103.81 52.57 0.76 Allowed 'General case' 0 N--CA 1.501 2.117 0 O-C-N 121.062 -1.024 . . . . 0.0 110.117 -178.462 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 41' ' ' SER . . . . . 0.491 ' O ' ' O ' ' A' ' 44' ' ' LEU . 21.7 p -94.85 -54.63 3.4 Favored 'General case' 0 N--CA 1.5 2.061 0 O-C-N 121.146 -0.971 . . . . 0.0 110.226 179.9 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 84.0 t60 -61.07 -46.7 89.58 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 120.87 -1.144 . . . . 0.0 109.627 -179.506 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 27.0 m-85 -62.83 -40.91 98.85 Favored 'General case' 0 C--N 1.3 -1.57 0 O-C-N 121.184 -0.947 . . . . 0.0 110.381 -179.223 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.491 ' O ' ' O ' ' A' ' 41' ' ' SER . 87.8 mt -111.97 125.1 53.69 Favored 'General case' 0 N--CA 1.502 2.148 0 O-C-N 121.519 -0.738 . . . . 0.0 109.53 -179.517 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 45' ' ' GLU . . . . . 0.43 ' N ' ' OE2' ' A' ' 46' ' ' GLU . 85.3 tt0 -144.42 77.26 1.53 Allowed 'General case' 0 N--CA 1.495 1.782 0 CA-C-O 121.986 0.898 . . . . 0.0 109.061 179.207 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 46' ' ' GLU . . . . . 0.479 ' N ' ' CD ' ' A' ' 46' ' ' GLU . 1.3 pm0 -160.39 9.37 0.1 Allowed 'General case' 0 C--N 1.301 -1.533 0 O-C-N 121.05 -1.031 . . . . 0.0 109.13 179.947 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 82.5 mt -96.14 111.02 25.55 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.871 0 O-C-N 121.279 -0.888 . . . . 0.0 108.866 179.722 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 60.2 tttm -125.85 -14.87 6.07 Favored 'General case' 0 N--CA 1.496 1.847 0 N-CA-C 108.879 -0.786 . . . . 0.0 108.879 179.815 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 95.5 mt-10 -120.57 141.11 50.59 Favored 'General case' 0 N--CA 1.5 2.042 0 O-C-N 121.444 -0.785 . . . . 0.0 110.042 -179.174 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -68.01 -20.84 65.05 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.548 -0.72 . . . . 0.0 109.193 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -59.87 -40.23 87.95 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.093 -1.004 . . . . 0.0 108.956 179.43 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 70.9 t -60.02 -40.89 84.42 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.659 0 O-C-N 121.178 -0.951 . . . . 0.0 109.547 -179.587 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 54.1 t -61.18 -42.86 94.99 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.515 0 O-C-N 120.869 -1.144 . . . . 0.0 109.76 -179.52 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 90.3 m-20 -60.75 -43.05 98.43 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.401 -0.812 . . . . 0.0 109.984 -179.521 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 37.5 ttpt -61.34 -42.31 98.48 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.25 -0.906 . . . . 0.0 108.815 179.296 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 54.6 t -60.96 -40.64 86.14 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.946 0 O-C-N 121.233 -0.917 . . . . 0.0 109.776 179.773 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 81.7 mmm -61.7 -40.48 95.14 Favored 'General case' 0 C--N 1.299 -1.616 0 O-C-N 121.73 -0.606 . . . . 0.0 110.457 -179.282 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 86.5 mt-10 -61.91 -37.89 86.35 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 120.898 -1.126 . . . . 0.0 110.757 -179.698 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 88.2 m -72.53 -47.07 51.39 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 120.653 -1.28 . . . . 0.0 111.074 -178.222 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 2.2 pp -77.95 -40.1 40.51 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 120.956 -1.09 . . . . 0.0 111.053 -178.172 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 61' ' ' ASP . . . . . 0.403 ' CG ' ' H ' ' A' ' 64' ' ' GLY . 53.9 t0 -80.63 96.77 6.96 Favored 'General case' 0 N--CA 1.497 1.909 0 O-C-N 120.772 -1.205 . . . . 0.0 110.715 -179.461 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 62' ' ' GLU . . . . . 0.482 ' OE1' ' N ' ' A' ' 62' ' ' GLU . 54.1 mp0 -64.81 -39.91 94.36 Favored 'General case' 0 N--CA 1.496 1.836 0 O-C-N 121.166 -0.959 . . . . 0.0 108.974 178.632 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 95.0 m-20 -65.55 -43.69 89.13 Favored 'General case' 0 N--CA 1.503 2.188 0 O-C-N 121.002 -1.061 . . . . 0.0 109.955 -179.727 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 64' ' ' GLY . . . . . 0.403 ' H ' ' CG ' ' A' ' 61' ' ' ASP . . . 71.96 32.99 62.97 Favored Glycine 0 N--CA 1.492 2.387 0 N-CA-C 108.443 -1.863 . . . . 0.0 108.443 -178.745 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 65' ' ' ASP . . . . . 0.421 ' OD1' ' N ' ' A' ' 65' ' ' ASP . 39.0 p-10 -88.78 -2.2 58.47 Favored 'General case' 0 N--CA 1.489 1.475 0 O-C-N 121.376 -1.073 . . . . 0.0 110.036 -179.134 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 88.52 -3.65 85.18 Favored Glycine 0 N--CA 1.492 2.423 0 O-C-N 120.657 -1.277 . . . . 0.0 110.305 179.089 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 72.0 mm-40 -117.29 140.61 49.34 Favored 'General case' 0 N--CA 1.501 2.113 0 O-C-N 121.445 -1.032 . . . . 0.0 109.976 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 62.6 m -94.4 115.43 27.62 Favored 'General case' 0 N--CA 1.497 1.892 0 O-C-N 121.222 -0.924 . . . . 0.0 109.886 -179.701 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 82.3 m-20 -89.42 155.91 19.02 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.325 -0.86 . . . . 0.0 108.916 179.049 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 44.4 t80 -58.91 -44.86 91.36 Favored 'General case' 0 C--N 1.299 -1.597 0 O-C-N 121.448 -0.783 . . . . 0.0 110.01 -179.561 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 11.5 pt20 -60.92 -41.89 97.03 Favored 'General case' 0 N--CA 1.494 1.762 0 O-C-N 120.905 -1.122 . . . . 0.0 109.639 179.823 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 97.8 mt-10 -60.36 -38.64 84.48 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.313 -0.867 . . . . 0.0 109.125 178.983 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 54.8 t80 -60.03 -39.29 85.37 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.287 -0.883 . . . . 0.0 108.833 179.492 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 96.2 mmm -60.96 -39.43 89.52 Favored 'General case' 0 N--CA 1.496 1.837 0 O-C-N 120.542 -1.349 . . . . 0.0 108.842 179.796 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -60.25 -41.65 93.64 Favored 'General case' 0 N--CA 1.496 1.871 0 O-C-N 121.165 -0.959 . . . . 0.0 109.363 179.611 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 49.7 t80 -59.85 -42.38 93.49 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.235 -0.916 . . . . 0.0 109.542 -179.765 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 54.2 t -60.87 -40.13 84.23 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.621 0 O-C-N 121.294 -0.879 . . . . 0.0 109.473 179.812 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 59.6 p -66.96 -40.24 87.45 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 120.923 -1.111 . . . . 0.0 110.305 -179.826 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 57.0 ttp -60.78 -42.51 97.65 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 121.007 -1.058 . . . . 0.0 110.026 -179.133 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 54.3 t -64.89 -42.14 94.04 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.519 0 O-C-N 121.023 -1.048 . . . . 0.0 110.094 -179.507 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 41.3 m -66.8 -40.42 88.08 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.734 -0.604 . . . . 0.0 109.915 -179.408 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 17.1 p -63.7 -39.59 94.68 Favored 'General case' 0 C--N 1.304 -1.4 0 O-C-N 121.036 -1.04 . . . . 0.0 109.247 -179.844 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -67.35 -19.17 65.4 Favored 'General case' 0 N--CA 1.49 1.542 0 N-CA-C 108.789 -0.819 . . . . 0.0 108.789 179.852 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 84' ' ' CYS . . . . . 0.453 ' SG ' ' CD1' ' A' ' 88' ' ' PHE . 6.3 t -56.87 -171.33 0.01 OUTLIER 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.629 -0.669 . . . . 0.0 109.413 179.652 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 85' ' ' HIS . . . . . 0.494 ' CD2' ' O ' ' A' ' 87' ' ' PHE . 8.9 p-80 -134.11 175.91 9.06 Favored 'General case' 0 N--CA 1.502 2.148 0 O-C-N 121.276 -0.89 . . . . 0.0 110.168 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -53.64 -67.86 0.22 Allowed 'General case' 0 N--CA 1.497 1.888 0 O-C-N 121.678 -0.639 . . . . 0.0 111.785 -178.348 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 87' ' ' PHE . . . . . 0.494 ' O ' ' CD2' ' A' ' 85' ' ' HIS . 72.2 m-85 -88.39 114.29 24.86 Favored 'General case' 0 N--CA 1.502 2.148 0 O-C-N 120.934 -1.104 . . . . 0.0 110.619 -178.714 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 88' ' ' PHE . . . . . 0.453 ' CD1' ' SG ' ' A' ' 84' ' ' CYS . 15.9 t80 . . . . . 0 N--CA 1.5 2.054 0 O-C-N 121.304 -0.872 . . . . 0.0 110.267 179.27 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 36.5 t . . . . . 0 N--CA 1.493 1.712 0 CA-C-O 121.297 0.57 . . . . 0.0 109.621 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 42.1 mt-10 -69.67 -27.88 65.4 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.611 -0.681 . . . . 0.0 109.916 179.753 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 61.0 tp -59.67 -49.77 76.47 Favored 'General case' 0 N--CA 1.502 2.139 0 O-C-N 121.274 -0.891 . . . . 0.0 109.357 -179.792 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 52.7 tp10 -62.76 -40.31 96.89 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.11 -0.994 . . . . 0.0 109.459 179.457 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 2.3 tpmt? -60.69 -44.71 96.2 Favored 'General case' 0 N--CA 1.496 1.859 0 O-C-N 121.464 -0.772 . . . . 0.0 109.133 179.623 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -59.86 -38.39 82.0 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.223 -0.923 . . . . 0.0 109.067 179.353 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 7' ' ' MET . . . . . . . . . . . . . 54.5 ttm -61.07 -46.16 91.8 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.105 -0.997 . . . . 0.0 109.972 179.645 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 70.4 t -64.09 -44.21 97.64 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.976 0 O-C-N 121.285 -0.884 . . . . 0.0 109.933 -179.588 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.99 -41.05 95.7 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 121.555 -0.716 . . . . 0.0 109.979 -179.916 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 63.3 tp -60.05 -44.91 94.35 Favored 'General case' 0 N--CA 1.485 1.307 0 O-C-N 120.917 -1.114 . . . . 0.0 109.476 -179.734 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 96.2 mt -65.88 -41.22 89.57 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.562 0 O-C-N 120.806 -1.184 . . . . 0.0 110.263 -179.687 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 19.2 t0 -60.22 -43.46 95.98 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.034 -1.041 . . . . 0.0 110.581 -178.544 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 61.4 t -61.34 -47.59 92.75 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.535 0 O-C-N 120.949 -1.094 . . . . 0.0 109.693 -179.569 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 14' ' ' PHE . . . . . . . . . . . . . 67.8 t80 -60.52 -49.91 75.67 Favored 'General case' 0 C--N 1.304 -1.392 0 O-C-N 121.082 -1.012 . . . . 0.0 109.204 179.922 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 15' ' ' HIS . . . . . 0.445 ' O ' ' N ' ' B' ' 19' ' ' GLY . 86.6 t60 -63.02 -40.93 99.22 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.181 -0.949 . . . . 0.0 110.114 179.665 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 27.6 tp60 -62.42 -52.44 63.55 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.446 -0.784 . . . . 0.0 110.008 -178.517 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 49.6 t80 -66.05 -47.84 73.03 Favored 'General case' 0 C--N 1.303 -1.422 0 O-C-N 121.095 -1.003 . . . . 0.0 109.565 -179.788 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 18' ' ' SER . . . . . 0.431 ' O ' ' O ' ' B' ' 21' ' ' GLU . 95.6 p -68.05 -39.94 82.94 Favored 'General case' 0 N--CA 1.487 1.397 0 O-C-N 121.313 -0.867 . . . . 0.0 110.067 -179.451 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 19' ' ' GLY . . . . . 0.445 ' N ' ' O ' ' B' ' 15' ' ' HIS . . . -65.5 -47.79 74.79 Favored Glycine 0 N--CA 1.486 2.032 0 C-N-CA 119.82 -1.181 . . . . 0.0 111.038 -178.681 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -61.26 -41.8 97.53 Favored 'General case' 0 N--CA 1.494 1.762 0 O-C-N 121.0 -1.294 . . . . 0.0 110.158 -178.382 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 21' ' ' GLU . . . . . 0.431 ' O ' ' O ' ' B' ' 18' ' ' SER . 94.9 mt-10 -104.75 129.89 52.91 Favored 'General case' 0 N--CA 1.503 2.19 0 O-C-N 121.156 -0.965 . . . . 0.0 109.924 -179.801 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . 81.7 -15.91 22.86 Favored Glycine 0 N--CA 1.489 2.228 0 C-N-CA 120.016 -1.087 . . . . 0.0 110.709 179.225 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 88.6 m-20 51.59 49.85 20.02 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 120.973 -1.31 . . . . 0.0 110.166 179.764 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 24' ' ' LYS . . . . . 0.405 ' HG3' ' H ' ' B' ' 25' ' ' HIS . 4.7 tptm -164.69 -175.8 3.99 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 120.981 -1.074 . . . . 0.0 108.999 179.76 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 25' ' ' HIS . . . . . 0.405 ' H ' ' HG3' ' B' ' 24' ' ' LYS . 44.5 m80 -106.02 25.76 10.54 Favored 'General case' 0 N--CA 1.5 2.063 0 O-C-N 121.253 -0.905 . . . . 0.0 111.173 -178.623 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 21.6 pttp -128.9 156.12 44.2 Favored 'General case' 0 N--CA 1.499 2.011 0 O-C-N 121.115 -0.991 . . . . 0.0 109.042 179.797 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 43.6 mt -127.58 141.08 51.73 Favored 'General case' 0 N--CA 1.502 2.161 0 O-C-N 121.64 -0.663 . . . . 0.0 110.015 -178.792 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -96.11 178.71 5.31 Favored 'General case' 0 N--CA 1.499 1.987 0 O-C-N 121.228 -0.92 . . . . 0.0 109.742 179.898 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 29' ' ' LYS . . . . . 0.437 ' HB2' ' HZ3' ' B' ' 29' ' ' LYS . 11.4 ttmm -60.3 -42.5 95.66 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.344 -0.847 . . . . 0.0 111.034 -178.639 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 69.0 m -60.7 -41.87 96.06 Favored 'General case' 0 N--CA 1.496 1.827 0 O-C-N 120.789 -1.194 . . . . 0.0 109.93 -179.267 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -70.62 -40.32 73.23 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.787 -0.571 . . . . 0.0 110.889 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 32' ' ' LEU . . . . . 0.667 ' C ' HD13 ' B' ' 32' ' ' LEU . 2.9 tm? -60.27 -41.26 92.9 Favored 'General case' 0 N--CA 1.499 1.984 0 O-C-N 121.193 -0.942 . . . . 0.0 109.475 -179.139 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 79.4 tttt -59.41 -44.62 92.82 Favored 'General case' 0 N--CA 1.49 1.543 0 N-CA-C 108.067 -1.086 . . . . 0.0 108.067 178.495 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 34' ' ' GLU . . . . . 0.4 ' O ' ' N ' ' B' ' 38' ' ' ASN . 81.6 mm-40 -64.42 -39.75 94.44 Favored 'General case' 0 C--N 1.302 -1.477 0 O-C-N 121.173 -0.954 . . . . 0.0 110.311 -179.62 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 35' ' ' LEU . . . . . 0.54 ' O ' HD13 ' B' ' 35' ' ' LEU . 0.3 OUTLIER -56.45 -48.52 76.87 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 121.354 -0.842 . . . . 0.0 110.605 -178.168 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 96.5 mt -59.36 -48.7 86.18 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.969 0 O-C-N 120.656 -1.277 . . . . 0.0 109.599 -178.708 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 88.5 m-20 -74.52 -25.87 59.62 Favored 'General case' 0 C--N 1.298 -1.671 0 O-C-N 121.057 -1.027 . . . . 0.0 110.129 179.894 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 38' ' ' ASN . . . . . 0.4 ' N ' ' O ' ' B' ' 34' ' ' GLU . 10.6 t-20 -61.28 -49.64 76.24 Favored 'General case' 0 N--CA 1.495 1.812 0 O-C-N 121.135 -0.978 . . . . 0.0 111.734 -178.52 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 39.4 mt-10 -118.24 -28.96 5.67 Favored 'General case' 0 N--CA 1.502 2.149 0 O-C-N 121.325 -0.859 . . . . 0.0 111.483 -177.909 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 77.7 mt -102.14 52.06 0.82 Allowed 'General case' 0 N--CA 1.502 2.164 0 O-C-N 121.106 -0.997 . . . . 0.0 110.399 -178.276 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 41' ' ' SER . . . . . 0.451 ' O ' ' O ' ' B' ' 44' ' ' LEU . 11.9 p -94.84 -55.74 3.0 Favored 'General case' 0 N--CA 1.499 2.018 0 O-C-N 120.93 -1.106 . . . . 0.0 110.338 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 42' ' ' HIS . . . . . . . . . . . . . 84.0 t60 -59.99 -47.26 86.56 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 120.782 -1.199 . . . . 0.0 109.561 -179.3 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 27.8 m-85 -62.11 -40.08 94.7 Favored 'General case' 0 N--CA 1.495 1.777 0 O-C-N 121.211 -0.931 . . . . 0.0 110.295 -179.275 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 44' ' ' LEU . . . . . 0.451 ' O ' ' O ' ' B' ' 41' ' ' SER . 75.2 mt -113.97 124.2 51.58 Favored 'General case' 0 N--CA 1.502 2.151 0 O-C-N 121.284 -0.885 . . . . 0.0 109.638 -179.494 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 45' ' ' GLU . . . . . 0.464 ' N ' ' OE2' ' B' ' 46' ' ' GLU . 85.4 tt0 -142.82 77.66 1.58 Allowed 'General case' 0 N--CA 1.494 1.772 0 O-C-N 121.425 -0.797 . . . . 0.0 109.239 179.286 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 46' ' ' GLU . . . . . 0.508 ' N ' ' CD ' ' B' ' 46' ' ' GLU . 1.4 pm0 -160.27 8.37 0.09 Allowed 'General case' 0 N--CA 1.488 1.445 0 O-C-N 121.196 -0.94 . . . . 0.0 109.647 179.874 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 73.9 mt -94.56 114.61 31.51 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.601 0 N-CA-C 108.571 -0.9 . . . . 0.0 108.571 179.673 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 63.0 tttm -129.78 -14.53 4.03 Favored 'General case' 0 N--CA 1.501 2.082 0 N-CA-C 108.63 -0.878 . . . . 0.0 108.63 179.718 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 94.3 mt-10 -119.96 140.81 50.36 Favored 'General case' 0 N--CA 1.496 1.855 0 O-C-N 121.815 -0.553 . . . . 0.0 109.984 -179.335 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -68.5 -19.63 64.54 Favored 'General case' 0 N--CA 1.495 1.783 0 N-CA-C 108.808 -0.812 . . . . 0.0 108.808 179.625 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -60.31 -40.67 91.38 Favored 'General case' 0 C--N 1.301 -1.522 0 O-C-N 121.25 -0.906 . . . . 0.0 109.058 179.214 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 73.8 t -59.94 -41.51 86.26 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.653 0 O-C-N 121.001 -1.062 . . . . 0.0 109.504 -179.359 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 47.3 t -60.14 -44.04 94.35 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.533 0 O-C-N 121.2 -0.937 . . . . 0.0 109.843 -179.611 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 91.2 m-20 -60.86 -42.01 97.03 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.273 -0.892 . . . . 0.0 110.055 -179.6 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 38.0 ttpt -62.72 -39.98 95.76 Favored 'General case' 0 N--CA 1.497 1.889 0 O-C-N 121.267 -0.895 . . . . 0.0 109.111 179.516 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 55.7 t -63.17 -39.94 87.17 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.47 0 O-C-N 121.082 -1.011 . . . . 0.0 109.195 179.555 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 57' ' ' MET . . . . . . . . . . . . . 79.5 mmm -61.83 -40.07 93.99 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.285 -0.884 . . . . 0.0 110.621 -179.656 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 83.2 mt-10 -61.21 -39.64 91.01 Favored 'General case' 0 N--CA 1.494 1.743 0 O-C-N 121.072 -1.017 . . . . 0.0 110.619 -179.354 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 87.7 m -71.86 -45.64 60.68 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.0 -1.062 . . . . 0.0 111.671 -178.26 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 2.4 pp -79.64 -38.81 32.92 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 120.503 -1.373 . . . . 0.0 110.75 -178.282 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 53.1 t0 -80.89 97.15 7.28 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.131 -0.98 . . . . 0.0 110.541 -179.213 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 62' ' ' GLU . . . . . 0.483 ' OE1' ' N ' ' B' ' 62' ' ' GLU . 57.0 mp0 -65.61 -39.86 92.0 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.024 -1.048 . . . . 0.0 109.415 179.25 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 95.2 m-20 -65.71 -41.42 92.33 Favored 'General case' 0 N--CA 1.496 1.858 0 O-C-N 121.075 -1.016 . . . . 0.0 110.624 179.774 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 70.85 30.86 67.66 Favored Glycine 0 N--CA 1.495 2.586 0 N-CA-C 108.967 -1.653 . . . . 0.0 108.967 -178.733 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 41.6 p-10 -86.72 -3.63 59.07 Favored 'General case' 0 N--CA 1.495 1.79 0 O-C-N 121.267 -1.137 . . . . 0.0 110.798 -179.06 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 89.8 -4.01 83.29 Favored Glycine 0 N--CA 1.498 2.789 0 O-C-N 121.09 -1.006 . . . . 0.0 110.641 179.561 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 73.7 mm-40 -116.68 141.93 47.57 Favored 'General case' 0 N--CA 1.503 2.214 0 O-C-N 121.371 -1.076 . . . . 0.0 109.52 -179.506 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 68' ' ' CYS . . . . . . . . . . . . . 56.8 m -96.22 115.33 27.26 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.407 -0.808 . . . . 0.0 109.844 -179.472 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 81.0 m-20 -89.11 157.94 18.13 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.1 -1.0 . . . . 0.0 109.149 179.664 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 44.4 t80 -59.82 -44.9 93.78 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.346 -0.846 . . . . 0.0 109.716 -179.572 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 11.1 pt20 -60.81 -41.67 96.14 Favored 'General case' 0 N--CA 1.494 1.764 0 O-C-N 120.731 -1.23 . . . . 0.0 109.676 -179.805 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -60.38 -38.75 84.91 Favored 'General case' 0 C--N 1.299 -1.587 0 O-C-N 121.369 -0.832 . . . . 0.0 109.352 179.548 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 73' ' ' PHE . . . . . . . . . . . . . 58.7 t80 -60.02 -40.05 87.95 Favored 'General case' 0 C--N 1.303 -1.451 0 O-C-N 121.088 -1.008 . . . . 0.0 108.828 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 74' ' ' MET . . . . . . . . . . . . . 96.5 mmm -59.84 -40.0 87.05 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 120.721 -1.237 . . . . 0.0 109.193 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -59.93 -41.33 91.54 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.163 -0.96 . . . . 0.0 109.603 179.742 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 50.1 t80 -60.04 -42.68 94.95 Favored 'General case' 0 N--CA 1.487 1.406 0 O-C-N 121.321 -0.862 . . . . 0.0 109.315 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 77' ' ' VAL . . . . . . . . . . . . . 57.2 t -60.97 -39.52 82.41 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.667 0 O-C-N 121.24 -0.912 . . . . 0.0 109.409 179.676 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 78' ' ' SER . . . . . . . . . . . . . 79.9 p -67.23 -40.23 86.32 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 120.914 -1.116 . . . . 0.0 110.032 179.92 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 79' ' ' MET . . . . . . . . . . . . . 56.6 ttp -60.91 -41.9 97.01 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 121.257 -0.902 . . . . 0.0 110.398 -179.274 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 54.0 t -65.72 -42.83 93.38 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.552 0 O-C-N 121.14 -0.975 . . . . 0.0 109.753 -179.315 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 30.4 m -65.79 -40.13 91.66 Favored 'General case' 0 N--CA 1.499 1.987 0 O-C-N 121.272 -0.892 . . . . 0.0 109.975 179.911 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 18.1 p -63.79 -39.77 95.04 Favored 'General case' 0 N--CA 1.487 1.401 0 O-C-N 121.029 -1.044 . . . . 0.0 109.155 -179.812 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -67.49 -17.81 64.82 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.528 -0.733 . . . . 0.0 109.101 179.52 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 84' ' ' CYS . . . . . 0.449 ' SG ' ' CD1' ' B' ' 88' ' ' PHE . 5.9 t -58.81 -171.61 0.01 OUTLIER 'General case' 0 C--N 1.3 -1.547 0 O-C-N 121.532 -0.73 . . . . 0.0 109.173 179.75 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 85' ' ' HIS . . . . . 0.537 ' CD2' ' O ' ' B' ' 87' ' ' PHE . 10.8 p-80 -134.26 173.94 11.06 Favored 'General case' 0 N--CA 1.502 2.137 0 O-C-N 121.412 -0.805 . . . . 0.0 110.229 -179.948 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -51.34 -68.67 0.15 Allowed 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.582 -0.699 . . . . 0.0 111.877 -177.908 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 87' ' ' PHE . . . . . 0.537 ' O ' ' CD2' ' B' ' 85' ' ' HIS . 69.0 m-85 -87.25 116.36 25.28 Favored 'General case' 0 N--CA 1.504 2.231 0 O-C-N 120.664 -1.272 . . . . 0.0 110.864 -178.513 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 88' ' ' PHE . . . . . 0.449 ' CD1' ' SG ' ' B' ' 84' ' ' CYS . 17.0 t80 . . . . . 0 N--CA 1.503 2.205 0 O-C-N 121.036 -1.04 . . . . 0.0 110.418 179.519 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 17.9 m . . . . . 0 N--CA 1.497 1.916 0 N-CA-C 109.408 -0.59 . . . . 0.0 109.408 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 54.7 tp10 -60.77 -42.45 97.52 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.291 -0.881 . . . . 0.0 109.665 -179.869 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 3' ' ' LEU . . . . . 0.521 HD13 ' O ' ' A' ' 3' ' ' LEU . 0.2 OUTLIER -60.48 -42.61 96.64 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.096 -1.002 . . . . 0.0 109.303 -179.369 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 49.2 tp10 -61.26 -42.89 99.41 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.217 -0.927 . . . . 0.0 110.589 -179.238 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 61.6 tttm -60.04 -44.33 94.74 Favored 'General case' 0 N--CA 1.494 1.756 0 O-C-N 121.1 -1.0 . . . . 0.0 110.374 -178.86 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -59.99 -45.21 93.47 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.188 -0.945 . . . . 0.0 109.649 -179.362 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 57.7 tpp -60.09 -46.16 90.5 Favored 'General case' 0 C--N 1.302 -1.487 0 O-C-N 121.404 -0.81 . . . . 0.0 109.591 -179.723 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 84.5 t -69.97 -41.49 79.41 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.518 0 O-C-N 121.253 -0.904 . . . . 0.0 110.541 -178.968 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.05 -40.88 90.95 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.028 -1.045 . . . . 0.0 109.622 -179.524 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.486 HD13 ' O ' ' A' ' 10' ' ' LEU . 0.3 OUTLIER -60.1 -50.92 71.81 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.278 -0.889 . . . . 0.0 109.286 -179.973 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 96.6 mt -69.37 -40.73 80.4 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.651 0 O-C-N 121.119 -0.988 . . . . 0.0 109.754 -179.798 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 12' ' ' ASP . . . . . 0.468 ' O ' ' OE1' ' A' ' 16' ' ' GLN . 8.8 t0 -60.86 -49.8 76.02 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.307 -0.871 . . . . 0.0 110.25 -179.436 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 65.0 t -63.29 -41.84 94.24 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.574 0 O-C-N 120.792 -1.193 . . . . 0.0 109.708 -179.311 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 65.8 t80 -61.43 -48.12 82.65 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.286 -0.884 . . . . 0.0 110.946 -179.798 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 52.6 t-80 -70.68 -48.39 55.03 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.002 -1.061 . . . . 0.0 110.849 -178.97 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 16' ' ' GLN . . . . . 0.494 ' OE1' ' N ' ' A' ' 16' ' ' GLN . 9.2 mp0 -67.78 -42.95 80.87 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.036 -1.04 . . . . 0.0 110.96 -178.799 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 17' ' ' TYR . . . . . 0.71 ' CZ ' ' ND2' ' A' ' 38' ' ' ASN . 38.1 t80 -70.12 -41.53 73.82 Favored 'General case' 0 N--CA 1.494 1.736 0 O-C-N 120.569 -1.332 . . . . 0.0 110.739 -178.861 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 84.9 p -62.42 -39.96 95.01 Favored 'General case' 0 N--CA 1.494 1.748 0 O-C-N 121.166 -0.959 . . . . 0.0 111.056 -178.438 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -80.14 -9.98 86.01 Favored Glycine 0 N--CA 1.493 2.437 0 N-CA-C 109.575 -1.41 . . . . 0.0 109.575 -179.379 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 15.3 tpt180 -60.28 -39.94 88.68 Favored 'General case' 0 C--N 1.301 -1.533 0 O-C-N 121.434 -1.039 . . . . 0.0 109.927 -179.719 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 18.1 tt0 -97.17 1.08 49.42 Favored 'General case' 0 N--CA 1.494 1.763 0 O-C-N 121.325 -0.86 . . . . 0.0 110.115 -178.518 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 82.25 16.34 71.98 Favored Glycine 0 N--CA 1.492 2.426 0 N-CA-C 109.085 -1.606 . . . . 0.0 109.085 -179.7 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 94.8 m-20 -69.98 -16.96 63.27 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.354 -1.086 . . . . 0.0 109.371 179.878 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 24' ' ' LYS . . . . . 0.635 ' O ' ' CG ' ' A' ' 25' ' ' HIS . 43.5 mtmt 57.65 62.5 2.1 Favored 'General case' 0 N--CA 1.498 1.954 0 O-C-N 121.796 -0.565 . . . . 0.0 111.163 179.353 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 25' ' ' HIS . . . . . 0.635 ' CG ' ' O ' ' A' ' 24' ' ' LYS . 16.7 p80 49.74 44.6 24.85 Favored 'General case' 0 N--CA 1.5 2.043 0 O-C-N 121.983 -0.448 . . . . 0.0 111.926 178.635 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.415 ' C ' HD12 ' A' ' 27' ' ' LEU . 54.4 mtmt -140.37 129.38 23.43 Favored 'General case' 0 N--CA 1.503 2.223 0 O-C-N 121.092 -1.005 . . . . 0.0 108.863 177.907 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.458 ' N ' HD12 ' A' ' 27' ' ' LEU . 10.6 mp -101.77 119.62 39.08 Favored 'General case' 0 N--CA 1.502 2.172 0 O-C-N 121.039 -1.038 . . . . 0.0 109.973 -179.306 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 2.1 tppt? -114.78 178.98 4.08 Favored 'General case' 0 N--CA 1.501 2.098 0 N-CA-C 108.623 -0.88 . . . . 0.0 108.623 179.468 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 26.6 tptp -59.94 -40.84 90.32 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 120.978 -1.076 . . . . 0.0 109.91 179.699 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 87.1 p -62.24 -45.48 93.13 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 120.974 -1.079 . . . . 0.0 109.918 -179.69 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 83.1 tt0 -69.64 -39.94 76.82 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.37 -0.831 . . . . 0.0 110.691 -179.315 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 8.7 tt -60.11 -49.19 78.63 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.207 -0.933 . . . . 0.0 110.592 -177.951 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 58.0 tttm -59.93 -43.06 95.18 Favored 'General case' 0 C--N 1.302 -1.496 0 O-C-N 121.052 -1.03 . . . . 0.0 109.037 -178.965 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 80.4 mm-40 -70.0 -34.06 72.83 Favored 'General case' 0 C--N 1.302 -1.49 0 O-C-N 121.349 -0.844 . . . . 0.0 109.406 179.173 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.419 ' HA ' ' ND2' ' A' ' 38' ' ' ASN . 19.2 tp -60.03 -42.98 95.57 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.534 -0.729 . . . . 0.0 110.112 -178.455 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 95.7 mt -64.31 -39.93 87.26 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.65 0 O-C-N 121.064 -1.023 . . . . 0.0 110.187 -179.518 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 37' ' ' ASN . . . . . 0.45 ' O ' ' O ' ' A' ' 38' ' ' ASN . 3.0 m120 -69.12 -19.91 64.05 Favored 'General case' 0 N--CA 1.496 1.86 0 O-C-N 121.073 -1.017 . . . . 0.0 110.473 -179.317 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 38' ' ' ASN . . . . . 0.71 ' ND2' ' CZ ' ' A' ' 17' ' ' TYR . 69.4 m-20 -45.75 -99.17 0.0 OUTLIER 'General case' 0 N--CA 1.494 1.76 0 O-C-N 121.209 -0.932 . . . . 0.0 111.015 -178.905 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 64.3 mm-40 -111.3 -3.28 15.38 Favored 'General case' 0 N--CA 1.496 1.865 0 O-C-N 121.514 -0.741 . . . . 0.0 109.721 -178.866 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.489 ' N ' HD12 ' A' ' 40' ' ' LEU . 10.7 mp -93.14 121.24 34.3 Favored 'General case' 0 N--CA 1.496 1.829 0 O-C-N 121.211 -0.931 . . . . 0.0 109.445 -179.732 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 2.9 t -153.3 -53.88 0.11 Allowed 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.329 -0.857 . . . . 0.0 109.19 179.554 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 94.6 m-70 -69.31 -40.14 77.85 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.608 -0.682 . . . . 0.0 110.726 -179.235 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 43' ' ' PHE . . . . . 0.471 ' CZ ' ' SG ' ' A' ' 84' ' ' CYS . 3.2 t80 -72.18 -43.72 64.12 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.097 -1.002 . . . . 0.0 110.467 -178.168 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -90.31 -77.7 0.39 Allowed 'General case' 0 N--CA 1.499 1.999 0 O-C-N 120.919 -1.113 . . . . 0.0 110.072 -179.693 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 45' ' ' GLU . . . . . 0.441 ' O ' ' C ' ' A' ' 46' ' ' GLU . 27.8 tt0 62.79 -124.85 0.64 Allowed 'General case' 0 N--CA 1.49 1.573 0 N-CA-C 108.196 -1.038 . . . . 0.0 108.196 -178.347 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 46' ' ' GLU . . . . . 0.441 ' C ' ' O ' ' A' ' 45' ' ' GLU . 9.2 pt-20 36.48 -149.32 0.01 OUTLIER 'General case' 0 N--CA 1.502 2.17 0 O-C-N 121.546 -0.721 . . . . 0.0 110.959 179.332 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.534 HG22 ' O ' ' A' ' 47' ' ' ILE . 41.0 mt 56.38 83.32 0.06 OUTLIER 'Isoleucine or valine' 0 N--CA 1.494 1.753 0 O-C-N 121.222 -0.924 . . . . 0.0 109.066 -179.865 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 25.8 mttm -92.65 -13.27 29.75 Favored 'General case' 0 N--CA 1.494 1.77 0 O-C-N 121.268 -0.895 . . . . 0.0 109.721 -179.216 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -141.32 156.51 45.84 Favored 'General case' 0 N--CA 1.498 1.973 0 O-C-N 121.133 -0.979 . . . . 0.0 109.936 -179.819 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 50' ' ' GLN . . . . . 0.531 ' OE1' ' N ' ' A' ' 50' ' ' GLN . 5.0 mp0 -69.92 -28.9 65.98 Favored 'General case' 0 N--CA 1.492 1.675 0 O-C-N 121.351 -0.843 . . . . 0.0 109.719 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 53.9 tp10 -59.93 -36.41 76.98 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.188 -0.945 . . . . 0.0 109.538 -178.996 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 87.5 t -60.05 -40.16 82.41 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.637 0 O-C-N 120.85 -1.156 . . . . 0.0 109.034 -179.809 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 89.8 t -61.51 -41.34 89.72 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.614 0 O-C-N 120.909 -1.119 . . . . 0.0 108.977 179.751 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 99.4 m-20 -61.12 -40.08 92.41 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.186 -0.946 . . . . 0.0 109.591 179.821 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -63.78 -40.01 95.64 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.29 -0.881 . . . . 0.0 108.971 179.807 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 55.8 t -60.05 -42.68 90.61 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.398 0 O-C-N 121.244 -0.91 . . . . 0.0 108.993 179.669 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 77.3 mmm -61.62 -45.68 93.04 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.227 -0.921 . . . . 0.0 109.88 179.114 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 46.0 mt-10 -69.99 -40.98 74.99 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.194 -0.941 . . . . 0.0 110.376 -179.69 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 94.6 m -70.26 -44.68 67.96 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.153 -0.967 . . . . 0.0 109.988 -179.675 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 51.4 tp -60.1 -50.06 75.18 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.088 -1.007 . . . . 0.0 109.646 -179.721 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 61' ' ' ASP . . . . . 0.428 ' OD1' ' OE1' ' A' ' 72' ' ' GLU . 96.8 m-20 -82.72 109.89 17.29 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.186 -0.946 . . . . 0.0 110.009 -179.72 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 62' ' ' GLU . . . . . 0.452 ' CD ' ' N ' ' A' ' 62' ' ' GLU . 5.4 mp0 -61.62 -39.99 93.25 Favored 'General case' 0 C--N 1.302 -1.468 0 O-C-N 121.473 -0.767 . . . . 0.0 109.093 179.012 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 35.3 p-10 -76.84 -10.01 59.08 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.326 -0.859 . . . . 0.0 109.059 179.857 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 54.11 50.82 53.95 Favored Glycine 0 N--CA 1.491 2.348 0 N-CA-C 110.37 -1.092 . . . . 0.0 110.37 179.104 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 65' ' ' ASP . . . . . 0.433 ' O ' ' OE1' ' A' ' 67' ' ' GLU . 35.4 p-10 -79.65 -12.76 59.81 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.091 -1.24 . . . . 0.0 109.784 -179.862 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 83.51 4.9 88.98 Favored Glycine 0 N--CA 1.494 2.528 0 C-N-CA 120.086 -1.054 . . . . 0.0 110.47 179.149 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 67' ' ' GLU . . . . . 0.433 ' OE1' ' O ' ' A' ' 65' ' ' ASP . 24.5 mp0 -138.15 153.13 49.23 Favored 'General case' 0 N--CA 1.499 1.99 0 O-C-N 121.092 -1.24 . . . . 0.0 109.205 179.558 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -118.17 122.68 43.65 Favored 'General case' 0 N--CA 1.5 2.031 0 O-C-N 121.479 -0.763 . . . . 0.0 109.72 -179.712 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 94.3 m-20 -90.03 177.91 6.34 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.526 -0.734 . . . . 0.0 109.23 179.358 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 56.7 t80 -59.99 -48.14 82.95 Favored 'General case' 0 C--N 1.302 -1.497 0 O-C-N 121.581 -0.699 . . . . 0.0 109.843 179.901 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 26.6 mm100 -59.94 -40.39 88.79 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.024 -1.047 . . . . 0.0 109.596 -179.88 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 72' ' ' GLU . . . . . 0.428 ' OE1' ' OD1' ' A' ' 61' ' ' ASP . 44.0 mt-10 -68.71 -39.92 80.24 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.136 -0.977 . . . . 0.0 109.057 179.233 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 93.9 t80 -59.94 -41.36 91.64 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.405 -0.81 . . . . 0.0 109.633 -179.886 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 94.2 mmm -60.09 -39.99 88.03 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.252 -0.905 . . . . 0.0 109.433 179.63 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -59.96 -40.01 87.61 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.279 -0.888 . . . . 0.0 110.144 -179.396 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 70.2 t80 -60.11 -40.54 90.05 Favored 'General case' 0 C--N 1.301 -1.541 0 O-C-N 121.192 -0.943 . . . . 0.0 110.891 -179.434 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 53.8 t -61.17 -41.01 87.8 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.723 0 O-C-N 120.871 -1.143 . . . . 0.0 109.555 -179.644 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 76.7 p -67.45 -40.01 85.4 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.182 -0.948 . . . . 0.0 110.293 -179.819 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 98.2 mtp -59.97 -43.98 94.73 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.042 -1.036 . . . . 0.0 109.977 -179.229 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 79.3 t -70.03 -40.15 78.16 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.484 0 O-C-N 121.115 -0.991 . . . . 0.0 109.558 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 86.4 m -61.0 -40.56 93.98 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 121.304 -0.873 . . . . 0.0 109.945 -179.403 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 90.0 m -60.44 -42.15 95.52 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.093 -1.004 . . . . 0.0 110.336 -178.412 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -62.56 -42.22 99.4 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 120.906 -1.121 . . . . 0.0 109.084 179.835 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 84' ' ' CYS . . . . . 0.471 ' SG ' ' CZ ' ' A' ' 43' ' ' PHE . 14.7 m -80.34 133.06 35.89 Favored 'General case' 0 N--CA 1.488 1.462 0 O-C-N 121.438 -0.789 . . . . 0.0 109.001 179.662 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 85' ' ' HIS . . . . . 0.486 ' O ' ' CB ' ' A' ' 86' ' ' GLU . 54.0 p-80 -158.54 -166.23 1.85 Allowed 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.206 -0.934 . . . . 0.0 109.861 -179.543 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 86' ' ' GLU . . . . . 0.49 ' C ' ' CG ' ' A' ' 87' ' ' PHE . 1.3 tm-20 79.04 20.3 0.73 Allowed 'General case' 0 N--CA 1.495 1.803 0 N-CA-C 109.043 -0.725 . . . . 0.0 109.043 -179.6 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 87' ' ' PHE . . . . . 0.493 ' CD1' ' N ' ' A' ' 87' ' ' PHE . 0.1 OUTLIER 40.29 89.93 0.01 OUTLIER 'General case' 0 N--CA 1.499 1.978 0 O-C-N 121.595 -0.691 . . . . 0.0 109.189 -179.942 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 37.1 t80 . . . . . 0 C--N 1.301 -1.523 0 O-C-N 121.384 -0.823 . . . . 0.0 109.746 -178.596 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 14.6 m . . . . . 0 N--CA 1.495 1.823 0 N-CA-C 109.362 -0.607 . . . . 0.0 109.362 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 54.6 tp10 -60.8 -42.21 97.16 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.266 -0.896 . . . . 0.0 109.673 -179.849 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 3' ' ' LEU . . . . . 0.518 HD13 ' O ' ' B' ' 3' ' ' LEU . 0.2 OUTLIER -60.67 -42.55 97.3 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.173 -0.954 . . . . 0.0 109.33 -179.175 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 49.4 tp10 -61.41 -42.7 99.16 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.184 -0.948 . . . . 0.0 110.639 -179.327 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 62.6 tttm -60.03 -44.65 94.47 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.005 -1.059 . . . . 0.0 110.409 -178.929 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -60.1 -45.18 93.82 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.193 -0.942 . . . . 0.0 109.689 -179.351 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 7' ' ' MET . . . . . . . . . . . . . 56.0 tpp -59.94 -45.78 91.53 Favored 'General case' 0 C--N 1.301 -1.526 0 O-C-N 121.394 -0.816 . . . . 0.0 109.599 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 79.3 t -70.0 -41.91 79.44 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.554 0 O-C-N 121.293 -0.879 . . . . 0.0 110.468 -179.003 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.32 -40.6 91.17 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 120.907 -1.121 . . . . 0.0 109.685 -179.471 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 10' ' ' LEU . . . . . 0.467 HD13 ' O ' ' B' ' 10' ' ' LEU . 0.3 OUTLIER -60.25 -51.23 70.43 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.191 -0.943 . . . . 0.0 109.052 -179.961 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 96.6 mt -68.78 -41.04 82.18 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.592 0 O-C-N 121.073 -1.017 . . . . 0.0 109.81 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 12' ' ' ASP . . . . . 0.466 ' O ' ' OE1' ' B' ' 16' ' ' GLN . 8.7 t0 -60.95 -49.29 78.07 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.19 -0.944 . . . . 0.0 110.342 -179.287 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 76.6 t -63.72 -42.02 94.57 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.635 0 O-C-N 120.813 -1.18 . . . . 0.0 109.695 -179.318 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 14' ' ' PHE . . . . . . . . . . . . . 64.9 t80 -60.89 -48.5 81.52 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.368 -0.832 . . . . 0.0 110.93 -179.875 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 53.3 t-80 -70.53 -48.58 54.79 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 120.917 -1.114 . . . . 0.0 110.781 -178.924 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 16' ' ' GLN . . . . . 0.499 ' N ' ' OE1' ' B' ' 16' ' ' GLN . 9.2 mp0 -67.29 -42.85 83.06 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 120.975 -1.078 . . . . 0.0 111.008 -178.942 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 17' ' ' TYR . . . . . 0.712 ' CZ ' ' ND2' ' B' ' 38' ' ' ASN . 40.2 t80 -70.46 -41.45 72.75 Favored 'General case' 0 N--CA 1.496 1.836 0 O-C-N 120.598 -1.314 . . . . 0.0 110.779 -178.879 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 83.1 p -62.24 -40.03 94.8 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.159 -0.963 . . . . 0.0 111.107 -178.583 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -80.21 -10.1 85.84 Favored Glycine 0 N--CA 1.493 2.471 0 N-CA-C 109.693 -1.363 . . . . 0.0 109.693 -179.413 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 14.9 tpt180 -59.96 -40.11 87.89 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.429 -1.042 . . . . 0.0 109.84 -179.722 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 14.0 tt0 -96.77 0.29 49.21 Favored 'General case' 0 N--CA 1.495 1.775 0 O-C-N 121.476 -0.765 . . . . 0.0 110.058 -178.55 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . 82.28 16.79 70.71 Favored Glycine 0 N--CA 1.492 2.425 0 N-CA-C 109.185 -1.566 . . . . 0.0 109.185 -179.459 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 94.9 m-20 -69.99 -16.75 63.23 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.523 -0.986 . . . . 0.0 109.226 179.726 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 24' ' ' LYS . . . . . 0.635 ' O ' ' CG ' ' B' ' 25' ' ' HIS . 42.1 mtmt 57.48 62.33 2.19 Favored 'General case' 0 N--CA 1.497 1.882 0 O-C-N 121.775 -0.578 . . . . 0.0 111.096 179.352 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 25' ' ' HIS . . . . . 0.635 ' CG ' ' O ' ' B' ' 24' ' ' LYS . 17.0 p80 49.61 45.05 24.55 Favored 'General case' 0 N--CA 1.5 2.061 0 CA-C-O 121.082 0.468 . . . . 0.0 111.983 178.678 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 26' ' ' LYS . . . . . 0.408 ' C ' HD12 ' B' ' 27' ' ' LEU . 54.7 mtmt -140.44 129.68 23.72 Favored 'General case' 0 N--CA 1.502 2.161 0 O-C-N 121.157 -0.964 . . . . 0.0 108.739 177.729 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 27' ' ' LEU . . . . . 0.436 HD12 ' N ' ' B' ' 27' ' ' LEU . 10.8 mp -101.86 119.5 38.89 Favored 'General case' 0 N--CA 1.501 2.087 0 O-C-N 121.057 -1.027 . . . . 0.0 109.924 -179.571 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 2.4 tppt? -115.04 179.06 4.06 Favored 'General case' 0 N--CA 1.5 2.073 0 N-CA-C 108.554 -0.906 . . . . 0.0 108.554 179.546 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 26.9 tptp -60.0 -40.48 89.34 Favored 'General case' 0 N--CA 1.495 1.814 0 O-C-N 120.846 -1.159 . . . . 0.0 109.952 179.776 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 81.1 p -62.24 -45.98 90.92 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.125 -0.984 . . . . 0.0 109.988 -179.631 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 84.2 tt0 -69.8 -39.98 76.24 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.367 -0.833 . . . . 0.0 110.731 -179.16 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 9.1 tt -60.04 -48.84 80.03 Favored 'General case' 0 N--CA 1.495 1.82 0 O-C-N 121.115 -0.99 . . . . 0.0 110.533 -178.087 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 53.4 tttm -59.92 -43.4 94.93 Favored 'General case' 0 C--N 1.301 -1.529 0 O-C-N 120.984 -1.073 . . . . 0.0 108.986 -179.13 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 80.8 mm-40 -69.92 -34.51 73.56 Favored 'General case' 0 C--N 1.301 -1.528 0 O-C-N 121.454 -0.779 . . . . 0.0 109.394 179.213 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 35' ' ' LEU . . . . . 0.419 ' HA ' ' ND2' ' B' ' 38' ' ' ASN . 16.4 tp -59.97 -42.29 93.79 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.512 -0.742 . . . . 0.0 109.988 -178.496 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 96.8 mt -64.56 -40.04 87.67 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.689 0 O-C-N 120.998 -1.064 . . . . 0.0 110.206 -179.606 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 37' ' ' ASN . . . . . 0.461 ' O ' ' O ' ' B' ' 38' ' ' ASN . 3.1 m120 -68.86 -19.93 64.26 Favored 'General case' 0 N--CA 1.495 1.778 0 O-C-N 121.008 -1.058 . . . . 0.0 110.659 -179.289 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 38' ' ' ASN . . . . . 0.712 ' ND2' ' CZ ' ' B' ' 17' ' ' TYR . 65.3 m-20 -45.37 -99.57 0.0 OUTLIER 'General case' 0 N--CA 1.494 1.763 0 O-C-N 121.252 -0.905 . . . . 0.0 110.979 -178.854 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 62.2 mm-40 -111.21 -2.94 15.57 Favored 'General case' 0 N--CA 1.495 1.79 0 O-C-N 121.495 -0.753 . . . . 0.0 109.704 -179.028 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 40' ' ' LEU . . . . . 0.526 HD12 ' N ' ' B' ' 40' ' ' LEU . 10.5 mp -93.25 121.81 35.0 Favored 'General case' 0 N--CA 1.496 1.868 0 O-C-N 121.148 -0.97 . . . . 0.0 109.41 -179.902 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 3.2 t -153.79 -53.74 0.1 Allowed 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.404 -0.81 . . . . 0.0 109.21 179.637 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 42' ' ' HIS . . . . . . . . . . . . . 93.0 m-70 -69.66 -40.13 76.63 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.568 -0.708 . . . . 0.0 110.55 -179.257 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 43' ' ' PHE . . . . . 0.423 ' CZ ' ' SG ' ' B' ' 84' ' ' CYS . 3.0 t80 -71.7 -43.74 65.41 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.199 -0.938 . . . . 0.0 110.594 -178.165 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -90.84 -77.74 0.4 Allowed 'General case' 0 N--CA 1.499 1.99 0 O-C-N 120.972 -1.08 . . . . 0.0 110.084 -179.574 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 45' ' ' GLU . . . . . 0.438 ' O ' ' C ' ' B' ' 46' ' ' GLU . 28.3 tt0 63.19 -124.4 0.59 Allowed 'General case' 0 N--CA 1.491 1.589 0 N-CA-C 108.186 -1.042 . . . . 0.0 108.186 -178.41 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 46' ' ' GLU . . . . . 0.438 ' C ' ' O ' ' B' ' 45' ' ' GLU . 9.0 pt-20 36.01 -148.71 0.01 OUTLIER 'General case' 0 N--CA 1.502 2.174 0 O-C-N 121.578 -0.701 . . . . 0.0 111.007 179.466 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 47' ' ' ILE . . . . . 0.485 HG22 ' O ' ' B' ' 47' ' ' ILE . 46.1 mt 55.91 83.8 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.495 1.787 0 O-C-N 121.224 -0.923 . . . . 0.0 108.924 -179.72 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 26.9 mttm -93.04 -13.37 28.73 Favored 'General case' 0 N--CA 1.494 1.765 0 O-C-N 121.261 -0.9 . . . . 0.0 109.574 -179.295 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -141.24 156.23 45.92 Favored 'General case' 0 N--CA 1.499 2.011 0 O-C-N 121.155 -0.966 . . . . 0.0 109.978 -179.78 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 50' ' ' GLN . . . . . 0.54 ' N ' ' OE1' ' B' ' 50' ' ' GLN . 5.1 mp0 -69.96 -28.54 65.63 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.382 -0.824 . . . . 0.0 109.816 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 53.7 tp10 -59.98 -36.42 77.12 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.098 -1.002 . . . . 0.0 109.362 -179.07 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 83.1 t -59.95 -40.14 82.15 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.69 0 O-C-N 120.908 -1.12 . . . . 0.0 109.197 -179.765 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 72.0 t -61.59 -41.31 89.76 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.632 0 O-C-N 120.889 -1.132 . . . . 0.0 108.903 179.595 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 99.4 m-20 -60.85 -40.01 91.28 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.278 -0.889 . . . . 0.0 109.721 179.792 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -63.9 -40.01 95.51 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.276 -0.89 . . . . 0.0 108.968 179.634 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 55.3 t -60.03 -43.31 92.35 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.416 0 O-C-N 121.303 -0.873 . . . . 0.0 108.903 179.91 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 57' ' ' MET . . . . . . . . . . . . . 74.3 mmm -61.13 -45.63 93.87 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.239 -0.913 . . . . 0.0 109.908 179.071 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -69.75 -41.24 75.5 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.218 -0.926 . . . . 0.0 110.45 -179.65 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 94.1 m -70.14 -45.26 67.17 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.202 -0.936 . . . . 0.0 110.183 -179.785 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 54.1 tp -59.98 -49.99 75.51 Favored 'General case' 0 N--CA 1.488 1.46 0 O-C-N 121.109 -0.995 . . . . 0.0 109.652 -179.67 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 61' ' ' ASP . . . . . 0.426 ' OD1' ' OE1' ' B' ' 72' ' ' GLU . 97.0 m-20 -82.33 109.8 16.91 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.082 -1.011 . . . . 0.0 110.076 -179.854 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 62' ' ' GLU . . . . . 0.453 ' N ' ' CD ' ' B' ' 62' ' ' GLU . 5.6 mp0 -62.18 -39.95 94.41 Favored 'General case' 0 N--CA 1.487 1.413 0 O-C-N 121.449 -0.782 . . . . 0.0 109.068 179.047 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 35.1 p-10 -76.8 -10.02 59.08 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.345 -0.847 . . . . 0.0 109.024 179.811 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 53.99 51.35 50.42 Favored Glycine 0 N--CA 1.492 2.378 0 N-CA-C 110.355 -1.098 . . . . 0.0 110.355 178.981 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 65' ' ' ASP . . . . . 0.44 ' O ' ' OE1' ' B' ' 67' ' ' GLU . 37.0 p-10 -80.0 -12.24 59.72 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 120.95 -1.323 . . . . 0.0 109.93 -179.94 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 83.44 4.85 89.11 Favored Glycine 0 N--CA 1.494 2.56 0 C-N-CA 120.08 -1.057 . . . . 0.0 110.474 179.351 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 67' ' ' GLU . . . . . 0.44 ' OE1' ' O ' ' B' ' 65' ' ' ASP . 24.4 mp0 -138.19 153.6 49.16 Favored 'General case' 0 N--CA 1.5 2.072 0 O-C-N 121.113 -1.227 . . . . 0.0 109.304 179.613 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 68' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -118.87 122.6 42.69 Favored 'General case' 0 N--CA 1.5 2.057 0 O-C-N 121.513 -0.742 . . . . 0.0 109.687 -179.874 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 94.1 m-20 -89.9 178.1 6.31 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.405 -0.809 . . . . 0.0 109.216 179.39 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 56.8 t80 -59.91 -48.17 82.79 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.46 -0.775 . . . . 0.0 109.834 179.922 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 25.4 mm100 -60.39 -40.02 89.36 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.0 -1.062 . . . . 0.0 109.497 -179.706 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 72' ' ' GLU . . . . . 0.426 ' OE1' ' OD1' ' B' ' 61' ' ' ASP . 45.1 mt-10 -68.71 -39.91 80.21 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.127 -0.983 . . . . 0.0 108.93 179.125 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 73' ' ' PHE . . . . . . . . . . . . . 93.8 t80 -59.96 -41.38 91.82 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.541 -0.724 . . . . 0.0 109.73 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 74' ' ' MET . . . . . . . . . . . . . 94.2 mmm -60.24 -39.97 88.59 Favored 'General case' 0 C--N 1.302 -1.48 0 O-C-N 121.231 -0.918 . . . . 0.0 109.412 179.784 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -60.12 -40.0 88.19 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.257 -0.902 . . . . 0.0 110.116 -179.492 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 68.2 t80 -60.04 -40.24 88.7 Favored 'General case' 0 C--N 1.302 -1.488 0 O-C-N 121.228 -0.92 . . . . 0.0 110.792 -179.24 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 77' ' ' VAL . . . . . . . . . . . . . 54.3 t -61.06 -41.83 90.76 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.741 0 O-C-N 120.878 -1.139 . . . . 0.0 109.692 -179.748 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 78' ' ' SER . . . . . . . . . . . . . 66.1 p -67.01 -39.92 87.19 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.152 -0.968 . . . . 0.0 110.249 -179.708 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 79' ' ' MET . . . . . . . . . . . . . 98.2 mtp -60.01 -43.54 95.16 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.104 -0.998 . . . . 0.0 109.843 -178.881 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 70.2 t -70.1 -40.59 78.5 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.511 0 O-C-N 121.099 -1.001 . . . . 0.0 109.579 179.887 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 92.5 m -61.14 -40.02 92.25 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.15 -0.969 . . . . 0.0 110.149 -179.142 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 87.3 m -60.32 -42.37 95.48 Favored 'General case' 0 N--CA 1.494 1.739 0 O-C-N 121.131 -0.981 . . . . 0.0 110.322 -178.915 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -62.55 -42.19 99.37 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 120.886 -1.134 . . . . 0.0 109.085 -179.919 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 84' ' ' CYS . . . . . 0.423 ' SG ' ' CZ ' ' B' ' 43' ' ' PHE . 14.7 m -80.56 133.38 35.78 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.446 -0.784 . . . . 0.0 108.893 179.629 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 85' ' ' HIS . . . . . 0.489 ' O ' ' CB ' ' B' ' 86' ' ' GLU . 53.6 p-80 -158.6 -165.9 1.77 Allowed 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.098 -1.001 . . . . 0.0 109.856 -179.575 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 86' ' ' GLU . . . . . 0.492 ' C ' ' CG ' ' B' ' 87' ' ' PHE . 1.4 tm-20 78.37 21.17 0.84 Allowed 'General case' 0 N--CA 1.494 1.756 0 O-C-N 121.607 -0.683 . . . . 0.0 109.186 -179.692 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 87' ' ' PHE . . . . . 0.495 ' CD1' ' N ' ' B' ' 87' ' ' PHE . 0.1 OUTLIER 39.93 90.04 0.01 OUTLIER 'General case' 0 N--CA 1.502 2.129 0 N-CA-C 109.267 -0.642 . . . . 0.0 109.267 179.919 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 36.2 t80 . . . . . 0 C--N 1.299 -1.596 0 O-C-N 121.398 -0.814 . . . . 0.0 109.682 -178.738 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 36.2 m . . . . . 0 N--CA 1.49 1.537 0 N-CA-C 109.084 -0.71 . . . . 0.0 109.084 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 13.9 pt-20 -66.44 -39.24 88.77 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.318 -0.864 . . . . 0.0 110.535 -179.329 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 25.2 tp -59.88 -44.98 93.89 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 120.903 -1.123 . . . . 0.0 108.883 -179.419 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 39.3 mm-40 -59.99 -40.23 88.44 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.308 -0.87 . . . . 0.0 109.906 -179.325 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 59.8 tttm -62.17 -40.03 94.65 Favored 'General case' 0 C--N 1.302 -1.459 0 O-C-N 121.119 -0.988 . . . . 0.0 109.595 -179.521 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -69.54 -40.05 77.08 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.101 -0.999 . . . . 0.0 109.501 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 9.7 ttp -66.78 -40.01 88.01 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.161 -0.962 . . . . 0.0 108.792 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 54.5 t -67.43 -39.96 83.62 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.565 0 O-C-N 121.416 -0.802 . . . . 0.0 109.221 179.209 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -57.02 -39.97 75.77 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.239 -0.913 . . . . 0.0 109.988 -178.737 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 98.0 mt -60.11 -42.74 95.39 Favored 'General case' 0 C--N 1.301 -1.501 0 O-C-N 120.754 -1.216 . . . . 0.0 108.398 179.489 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 93.3 mt -73.65 -42.34 55.15 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.62 0 O-C-N 121.339 -0.851 . . . . 0.0 110.087 179.24 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -69.95 -40.57 75.39 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.24 -0.912 . . . . 0.0 110.202 -179.039 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 54.5 t -65.2 -39.95 87.13 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.668 0 O-C-N 121.334 -0.854 . . . . 0.0 109.666 -179.873 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 46.7 t80 -59.95 -44.21 94.54 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.203 -0.936 . . . . 0.0 109.646 -179.005 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 3.9 m-70 -61.57 -49.09 78.05 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.109 -0.994 . . . . 0.0 109.639 -179.94 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 4.7 tp-100 -69.91 -41.19 75.02 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.371 -0.831 . . . . 0.0 110.037 -179.706 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 9.5 t80 -69.92 -40.01 75.82 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.111 -0.993 . . . . 0.0 109.487 -179.287 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 18' ' ' SER . . . . . 0.497 ' C ' ' H ' ' A' ' 20' ' ' ARG . 59.2 p -71.42 -37.06 71.49 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.124 -0.985 . . . . 0.0 109.953 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -68.39 15.54 0.58 Allowed Glycine 0 N--CA 1.493 2.469 0 N-CA-C 110.382 -1.087 . . . . 0.0 110.382 -179.147 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 20' ' ' ARG . . . . . 0.497 ' H ' ' C ' ' A' ' 18' ' ' SER . 1.5 tpt180 -60.01 -40.08 88.04 Favored 'General case' 0 C--N 1.3 -1.55 0 O-C-N 121.128 -1.219 . . . . 0.0 109.117 -179.829 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -135.61 -164.65 1.57 Allowed 'General case' 0 N--CA 1.498 1.96 0 O-C-N 121.465 -0.772 . . . . 0.0 109.716 -179.57 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -58.79 -29.04 63.95 Favored Glycine 0 N--CA 1.491 2.303 0 N-CA-C 110.441 -1.064 . . . . 0.0 110.441 -179.579 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 84.2 m-20 -70.17 103.54 2.36 Favored 'General case' 0 N--CA 1.494 1.749 0 O-C-N 120.885 -1.362 . . . . 0.0 109.382 -179.721 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 47.6 tttp -103.4 -34.54 8.7 Favored 'General case' 0 N--CA 1.499 1.986 0 O-C-N 121.45 -0.781 . . . . 0.0 110.648 -179.228 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 91.4 m-70 -94.53 -1.07 54.08 Favored 'General case' 0 N--CA 1.501 2.104 0 O-C-N 120.793 -1.192 . . . . 0.0 111.593 -178.272 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 58.9 pttt -150.82 161.69 42.18 Favored 'General case' 0 N--CA 1.499 1.988 0 O-C-N 120.48 -1.388 . . . . 0.0 110.78 -179.621 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 84.7 mt -115.91 137.12 52.4 Favored 'General case' 0 N--CA 1.498 1.952 0 N-CA-C 108.967 -0.753 . . . . 0.0 108.967 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 8.7 mtmp? -94.96 179.78 5.11 Favored 'General case' 0 N--CA 1.497 1.913 0 O-C-N 121.09 -1.006 . . . . 0.0 109.342 179.87 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 34.6 ttmt -59.97 -40.06 87.79 Favored 'General case' 0 N--CA 1.495 1.794 0 O-C-N 121.339 -0.851 . . . . 0.0 110.668 -179.3 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 30' ' ' SER . . . . . 0.43 ' OG ' ' OE1' ' A' ' 31' ' ' GLU . 91.7 p -59.9 -40.04 87.4 Favored 'General case' 0 N--CA 1.494 1.774 0 O-C-N 120.952 -1.092 . . . . 0.0 110.464 -178.64 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 31' ' ' GLU . . . . . 0.55 ' OE1' ' N ' ' A' ' 31' ' ' GLU . 7.6 mp0 -66.84 -37.29 84.2 Favored 'General case' 0 C--N 1.299 -1.621 0 O-C-N 120.891 -1.131 . . . . 0.0 109.765 179.916 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 28.9 tp -60.0 -47.66 84.9 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.411 -0.806 . . . . 0.0 111.311 -177.752 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 51.4 pttt -69.36 -35.15 75.56 Favored 'General case' 0 N--CA 1.496 1.825 0 O-C-N 120.593 -1.317 . . . . 0.0 110.265 -178.423 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 24.9 mm-40 -61.43 -40.3 93.94 Favored 'General case' 0 N--CA 1.498 1.925 0 O-C-N 120.87 -1.144 . . . . 0.0 110.403 179.806 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 9.9 tp -60.07 -45.46 92.8 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.056 -1.027 . . . . 0.0 109.447 -179.161 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 96.1 mt -61.49 -40.01 84.93 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.632 0 O-C-N 121.276 -0.89 . . . . 0.0 111.917 -178.72 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 83.3 m-20 -67.19 -62.76 1.27 Allowed 'General case' 0 N--CA 1.496 1.865 0 O-C-N 120.937 -1.102 . . . . 0.0 113.951 -176.3 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 33.2 p-10 -81.6 -21.52 38.3 Favored 'General case' 0 N--CA 1.502 2.169 0 N-CA-C 114.448 1.277 . . . . 0.0 114.448 -175.887 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 63.3 mm-40 -92.33 -1.64 56.92 Favored 'General case' 0 N--CA 1.506 2.325 0 O-C-N 120.107 -1.621 . . . . 0.0 111.471 -177.916 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.45 ' N ' ' CD2' ' A' ' 40' ' ' LEU . 1.2 mm? -99.86 120.44 39.77 Favored 'General case' 0 N--CA 1.5 2.041 0 O-C-N 120.992 -1.068 . . . . 0.0 108.684 179.101 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 18.4 p -77.35 -62.34 1.69 Allowed 'General case' 0 N--CA 1.488 1.444 0 O-C-N 121.47 -0.769 . . . . 0.0 110.262 -179.293 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 65.4 m80 -142.13 -5.38 0.99 Allowed 'General case' 0 N--CA 1.498 1.971 0 O-C-N 121.128 -0.982 . . . . 0.0 110.447 -179.356 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 42.8 m-85 -60.07 -41.22 91.92 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 120.925 -1.11 . . . . 0.0 109.743 -179.481 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 22.4 mt -142.3 -85.68 0.16 Allowed 'General case' 0 N--CA 1.5 2.07 0 O-C-N 121.139 -0.976 . . . . 0.0 109.58 -179.564 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 45' ' ' GLU . . . . . 0.408 ' O ' ' OE1' ' A' ' 45' ' ' GLU . 2.1 tm-20 61.19 20.58 11.11 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.303 -0.873 . . . . 0.0 109.572 -179.704 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 12.8 tp10 -98.47 -138.59 0.3 Allowed 'General case' 0 N--CA 1.499 1.991 0 O-C-N 121.214 -0.929 . . . . 0.0 109.096 179.888 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 65.7 mt 58.67 113.67 0.02 OUTLIER 'Isoleucine or valine' 0 N--CA 1.498 1.937 0 O-C-N 121.694 -0.628 . . . . 0.0 111.144 178.863 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 26.8 mttm -131.48 -34.17 1.4 Allowed 'General case' 0 N--CA 1.499 2.023 0 O-C-N 121.48 -0.762 . . . . 0.0 109.496 178.737 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 30.1 mp0 -86.87 145.53 26.54 Favored 'General case' 0 N--CA 1.498 1.929 0 O-C-N 121.045 -1.034 . . . . 0.0 110.307 -179.706 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 21.9 mp0 -68.98 -31.13 69.75 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.47 -0.769 . . . . 0.0 109.655 -179.905 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 -59.91 -40.09 87.63 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.216 -0.928 . . . . 0.0 109.634 -179.112 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 54.0 t -60.86 -42.73 93.66 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.617 0 O-C-N 121.223 -0.923 . . . . 0.0 109.789 -179.762 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 55.8 t -66.38 -43.13 91.43 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.622 0 O-C-N 121.059 -1.025 . . . . 0.0 109.913 -179.471 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 58.9 t0 -59.99 -43.68 94.99 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.168 -0.957 . . . . 0.0 109.812 -179.115 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 17.6 tptm -68.59 -40.62 80.43 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.2 -0.938 . . . . 0.0 109.803 -179.37 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 54.4 t -69.89 -47.98 66.37 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.706 0 O-C-N 121.209 -0.932 . . . . 0.0 110.18 -179.74 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -60.07 -40.09 88.28 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.037 -1.039 . . . . 0.0 109.805 -179.292 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 86.3 tt0 -62.91 -40.23 96.96 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.197 -0.94 . . . . 0.0 109.912 -179.891 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 94.5 m -69.95 -40.19 75.59 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.345 -0.847 . . . . 0.0 110.757 -179.233 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 60.6 tp -63.94 -39.99 95.42 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.023 -1.048 . . . . 0.0 110.076 -178.966 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 34.8 m-20 -73.17 99.94 2.95 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 120.858 -1.151 . . . . 0.0 109.507 -179.206 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 49.7 tp10 -64.07 -39.99 95.27 Favored 'General case' 0 C--N 1.302 -1.482 0 O-C-N 121.55 -0.718 . . . . 0.0 109.755 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 45.6 p-10 -86.61 -6.41 58.88 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 121.14 -0.975 . . . . 0.0 109.92 -179.366 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 55.19 44.6 84.05 Favored Glycine 0 N--CA 1.491 2.324 0 N-CA-C 109.896 -1.281 . . . . 0.0 109.896 179.642 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 65' ' ' ASP . . . . . 0.434 ' OD2' ' O ' ' A' ' 67' ' ' GLU . 50.9 p-10 -72.52 -9.96 59.2 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.004 -1.292 . . . . 0.0 109.156 179.93 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 73.77 5.6 69.72 Favored Glycine 0 N--CA 1.492 2.386 0 N-CA-C 110.41 -1.076 . . . . 0.0 110.41 178.885 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 67' ' ' GLU . . . . . 0.434 ' O ' ' OD2' ' A' ' 65' ' ' ASP . 12.7 pt-20 -149.58 159.25 44.48 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.043 -1.269 . . . . 0.0 109.615 -179.902 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 79.4 m -105.95 111.23 23.79 Favored 'General case' 0 N--CA 1.496 1.839 0 O-C-N 121.489 -0.757 . . . . 0.0 109.072 179.793 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 69' ' ' ASP . . . . . 0.494 ' OD1' ' N ' ' A' ' 70' ' ' PHE . 10.3 t70 -89.38 178.38 6.34 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.374 -0.829 . . . . 0.0 109.332 -179.916 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 70' ' ' PHE . . . . . 0.494 ' N ' ' OD1' ' A' ' 69' ' ' ASP . 70.8 t80 -59.96 -46.0 90.83 Favored 'General case' 0 C--N 1.302 -1.475 0 O-C-N 121.203 -0.935 . . . . 0.0 109.433 -179.531 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 60.6 tt0 -61.71 -40.04 93.63 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.034 -1.041 . . . . 0.0 108.683 178.904 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 73.9 mm-40 -59.99 -37.43 79.65 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.476 -0.765 . . . . 0.0 109.915 179.873 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 64.1 t80 -59.68 -44.43 93.63 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.148 -0.97 . . . . 0.0 109.359 -179.087 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 11.6 tpt -59.98 -40.05 87.79 Favored 'General case' 0 C--N 1.302 -1.484 0 N-CA-C 108.522 -0.918 . . . . 0.0 108.522 178.84 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -61.39 -36.34 80.0 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.582 -0.699 . . . . 0.0 110.432 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 26.0 t80 -59.98 -49.85 76.07 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 120.942 -1.099 . . . . 0.0 109.574 -178.784 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 95.7 t -62.59 -40.27 87.71 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.478 0 O-C-N 121.078 -1.014 . . . . 0.0 110.048 -179.601 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 79.8 p -64.15 -39.93 95.07 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.17 -0.956 . . . . 0.0 110.917 -178.923 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 4.2 tpt -60.02 -43.68 95.1 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 120.867 -1.146 . . . . 0.0 109.54 -179.442 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 72.3 t -69.93 -39.99 78.21 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.493 0 O-C-N 121.17 -0.956 . . . . 0.0 109.656 -179.735 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 94.3 m -67.45 -40.06 85.39 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.121 -0.987 . . . . 0.0 110.148 -179.369 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 33.1 p -65.59 -39.99 92.19 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.024 -1.048 . . . . 0.0 109.365 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -62.06 -39.89 93.92 Favored 'General case' 0 N--CA 1.487 1.415 0 O-C-N 121.367 -0.833 . . . . 0.0 109.077 179.433 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 19.1 t -76.89 130.39 37.51 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.364 -0.835 . . . . 0.0 109.497 179.884 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 85' ' ' HIS . . . . . 0.423 ' C ' ' N ' ' A' ' 87' ' ' PHE . 21.1 m170 -113.73 174.69 5.8 Favored 'General case' 0 N--CA 1.498 1.929 0 O-C-N 121.589 -0.694 . . . . 0.0 109.309 -179.788 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 86' ' ' GLU . . . . . 0.535 ' O ' ' N ' ' A' ' 88' ' ' PHE . 44.4 tp10 -50.0 -20.23 0.9 Allowed 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.201 -0.937 . . . . 0.0 108.489 179.525 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 87' ' ' PHE . . . . . 0.474 ' CD1' ' O ' ' A' ' 87' ' ' PHE . 51.6 t80 -46.87 -12.45 0.02 OUTLIER 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.605 -0.684 . . . . 0.0 109.863 179.355 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 88' ' ' PHE . . . . . 0.535 ' N ' ' O ' ' A' ' 86' ' ' GLU . 62.2 t80 . . . . . 0 N--CA 1.49 1.542 0 O-C-N 121.307 -0.871 . . . . 0.0 110.408 -179.094 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 26.9 m . . . . . 0 N--CA 1.49 1.547 0 N-CA-C 108.918 -0.771 . . . . 0.0 108.918 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 13.9 pt-20 -67.27 -38.91 85.88 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.334 -0.854 . . . . 0.0 110.493 -179.289 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 28.3 tp -59.99 -44.83 94.26 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 120.908 -1.12 . . . . 0.0 108.892 -179.491 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 39.8 mm-40 -60.22 -40.1 89.0 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.216 -0.928 . . . . 0.0 109.983 -179.362 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 59.9 tttm -62.15 -39.93 94.25 Favored 'General case' 0 C--N 1.302 -1.467 0 O-C-N 121.228 -0.92 . . . . 0.0 109.845 -179.744 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -69.64 -39.97 76.79 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.115 -0.991 . . . . 0.0 109.465 179.911 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 7' ' ' MET . . . . . . . . . . . . . 11.0 ttp -66.86 -40.01 87.75 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.311 -0.868 . . . . 0.0 108.729 -179.747 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 54.6 t -67.55 -40.05 83.56 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.622 0 O-C-N 121.423 -0.798 . . . . 0.0 109.186 179.272 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -57.02 -40.06 75.96 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.307 -0.871 . . . . 0.0 109.904 -178.622 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 93.8 mt -59.99 -42.98 95.41 Favored 'General case' 0 C--N 1.301 -1.506 0 O-C-N 120.904 -1.122 . . . . 0.0 108.467 179.4 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 91.8 mt -73.25 -42.65 57.9 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.589 0 O-C-N 121.44 -0.787 . . . . 0.0 110.043 179.252 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -69.71 -40.66 76.14 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.275 -0.89 . . . . 0.0 110.19 -179.023 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 54.6 t -65.07 -39.98 87.43 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.558 0 O-C-N 121.153 -0.967 . . . . 0.0 109.672 -179.87 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 14' ' ' PHE . . . . . . . . . . . . . 47.5 t80 -60.04 -44.27 94.76 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.242 -0.911 . . . . 0.0 109.615 -178.97 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 3.8 m-70 -61.47 -49.08 78.22 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.105 -0.997 . . . . 0.0 109.51 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 4.6 tp-100 -70.02 -40.97 74.89 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.375 -0.828 . . . . 0.0 110.071 -179.647 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 9.6 t80 -69.95 -40.09 75.65 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.299 -0.876 . . . . 0.0 109.352 -179.319 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 18' ' ' SER . . . . . 0.506 ' C ' ' H ' ' B' ' 20' ' ' ARG . 60.6 p -71.32 -37.09 71.78 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.113 -0.992 . . . . 0.0 110.054 -179.911 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -68.27 15.39 0.57 Allowed Glycine 0 N--CA 1.493 2.492 0 N-CA-C 110.368 -1.093 . . . . 0.0 110.368 -179.121 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 20' ' ' ARG . . . . . 0.506 ' H ' ' C ' ' B' ' 18' ' ' SER . 1.4 tpt180 -59.97 -40.04 87.73 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 121.119 -1.224 . . . . 0.0 109.061 -179.793 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -135.49 -163.97 1.47 Allowed 'General case' 0 N--CA 1.496 1.871 0 O-C-N 121.465 -0.772 . . . . 0.0 109.844 -179.601 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . -59.54 -28.56 65.26 Favored Glycine 0 N--CA 1.493 2.476 0 N-CA-C 110.269 -1.133 . . . . 0.0 110.269 -179.471 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 83.9 m-20 -70.61 104.03 2.69 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 120.962 -1.316 . . . . 0.0 109.286 -179.827 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 45.2 tttp -104.02 -34.27 8.5 Favored 'General case' 0 N--CA 1.496 1.841 0 O-C-N 121.549 -0.72 . . . . 0.0 110.687 -179.248 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 25' ' ' HIS . . . . . . . . . . . . . 91.2 m-70 -94.71 -1.05 53.77 Favored 'General case' 0 N--CA 1.5 2.053 0 O-C-N 120.902 -1.124 . . . . 0.0 111.56 -178.32 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 59.2 pttt -150.75 162.05 41.46 Favored 'General case' 0 N--CA 1.499 2.02 0 O-C-N 120.568 -1.333 . . . . 0.0 110.737 -179.734 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 81.3 mt -116.24 137.26 52.29 Favored 'General case' 0 N--CA 1.498 1.931 0 N-CA-C 108.954 -0.758 . . . . 0.0 108.954 179.83 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 8.4 mtmp? -95.05 179.77 5.1 Favored 'General case' 0 N--CA 1.496 1.833 0 O-C-N 121.171 -0.956 . . . . 0.0 109.428 179.871 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 36.0 ttmt -60.06 -39.96 87.79 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.415 -0.803 . . . . 0.0 110.69 -179.273 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 30' ' ' SER . . . . . 0.434 ' OG ' ' OE1' ' B' ' 31' ' ' GLU . 96.6 p -59.87 -40.1 87.49 Favored 'General case' 0 N--CA 1.495 1.802 0 O-C-N 120.851 -1.156 . . . . 0.0 110.393 -178.597 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 31' ' ' GLU . . . . . 0.574 ' OE1' ' N ' ' B' ' 31' ' ' GLU . 7.7 mp0 -66.93 -37.08 83.66 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 120.759 -1.213 . . . . 0.0 109.804 179.904 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 36.9 tp -59.99 -47.7 84.73 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.298 -0.876 . . . . 0.0 111.122 -177.749 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 52.6 pttt -69.57 -34.82 74.71 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 120.577 -1.327 . . . . 0.0 110.397 -178.401 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 24.2 mm-40 -61.69 -40.43 94.97 Favored 'General case' 0 N--CA 1.497 1.898 0 O-C-N 120.805 -1.184 . . . . 0.0 110.364 179.777 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 9.6 tp -59.94 -46.09 90.51 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 120.976 -1.078 . . . . 0.0 109.411 -179.231 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 36' ' ' ILE . . . . . 0.419 HG21 HD12 ' B' ' 47' ' ' ILE . 87.4 mt -60.69 -40.07 83.62 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.757 0 O-C-N 121.288 -0.883 . . . . 0.0 111.892 -178.79 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 83.4 m-20 -67.53 -62.84 1.22 Allowed 'General case' 0 N--CA 1.497 1.923 0 N-CA-C 114.064 1.135 . . . . 0.0 114.064 -176.403 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 33.9 p-10 -81.51 -21.89 38.31 Favored 'General case' 0 N--CA 1.502 2.164 0 O-C-N 120.716 -1.24 . . . . 0.0 114.317 -175.79 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 63.9 mm-40 -92.03 -1.71 57.08 Favored 'General case' 0 N--CA 1.506 2.339 0 O-C-N 120.107 -1.621 . . . . 0.0 111.471 -177.909 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 40' ' ' LEU . . . . . 0.445 ' CD2' ' N ' ' B' ' 40' ' ' LEU . 1.2 mm? -99.8 120.41 39.7 Favored 'General case' 0 N--CA 1.501 2.104 0 O-C-N 120.974 -1.079 . . . . 0.0 108.654 179.048 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 17.7 p -77.21 -62.46 1.65 Allowed 'General case' 0 N--CA 1.486 1.361 0 O-C-N 121.438 -0.789 . . . . 0.0 110.297 -179.347 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 42' ' ' HIS . . . . . . . . . . . . . 65.9 m80 -142.15 -5.29 0.99 Allowed 'General case' 0 N--CA 1.497 1.914 0 O-C-N 121.085 -1.01 . . . . 0.0 110.52 -179.378 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 43.5 m-85 -60.0 -41.34 91.89 Favored 'General case' 0 N--CA 1.494 1.733 0 O-C-N 120.877 -1.139 . . . . 0.0 109.764 -179.576 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 25.3 mt -142.07 -86.06 0.17 Allowed 'General case' 0 N--CA 1.502 2.126 0 O-C-N 121.1 -1.0 . . . . 0.0 109.538 -179.389 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 2.1 tm-20 61.45 20.7 11.4 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.388 -0.82 . . . . 0.0 109.46 -179.769 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 12.7 tp10 -98.86 -138.78 0.31 Allowed 'General case' 0 N--CA 1.499 2.015 0 O-C-N 121.2 -0.937 . . . . 0.0 109.036 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 47' ' ' ILE . . . . . 0.419 HD12 HG21 ' B' ' 36' ' ' ILE . 64.4 mt 58.88 113.47 0.02 OUTLIER 'Isoleucine or valine' 0 N--CA 1.498 1.953 0 O-C-N 121.72 -0.613 . . . . 0.0 111.26 178.987 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 27.0 mttm -131.35 -34.32 1.41 Allowed 'General case' 0 N--CA 1.501 2.115 0 O-C-N 121.538 -0.726 . . . . 0.0 109.428 178.741 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 30.3 mp0 -86.71 145.37 26.7 Favored 'General case' 0 N--CA 1.498 1.951 0 O-C-N 121.063 -1.023 . . . . 0.0 110.146 -179.652 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 21.8 mp0 -68.92 -31.1 69.76 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.474 -0.766 . . . . 0.0 109.674 -179.883 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -60.01 -40.04 87.9 Favored 'General case' 0 N--CA 1.488 1.464 0 O-C-N 121.227 -0.921 . . . . 0.0 109.531 -178.954 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 54.1 t -60.91 -42.6 93.35 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.64 0 O-C-N 121.215 -0.928 . . . . 0.0 109.794 -179.913 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 54.2 t -66.71 -42.87 90.15 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.628 0 O-C-N 121.043 -1.035 . . . . 0.0 109.904 -179.488 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 58.8 t0 -60.13 -43.26 95.82 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.246 -0.909 . . . . 0.0 109.695 -179.133 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 17.7 tptm -69.22 -40.26 78.07 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.083 -1.011 . . . . 0.0 109.722 -179.266 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 54.4 t -70.05 -47.76 66.51 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.622 0 O-C-N 121.148 -0.97 . . . . 0.0 110.238 -179.831 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 57' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -60.07 -40.34 89.15 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.089 -1.007 . . . . 0.0 109.872 -179.293 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 86.3 tt0 -62.58 -40.2 96.13 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.215 -0.928 . . . . 0.0 109.927 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 94.3 m -69.95 -40.24 75.55 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.322 -0.861 . . . . 0.0 110.764 -179.124 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 60.7 tp -63.91 -40.04 95.57 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 121.051 -1.031 . . . . 0.0 110.101 -178.782 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 36.1 m-20 -73.2 99.4 2.83 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 120.971 -1.081 . . . . 0.0 109.618 -179.23 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 49.8 tp10 -63.42 -39.94 95.84 Favored 'General case' 0 C--N 1.304 -1.383 0 O-C-N 121.575 -0.703 . . . . 0.0 109.826 179.895 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 46.0 p-10 -86.74 -6.28 58.87 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.076 -1.015 . . . . 0.0 109.904 -179.322 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 55.8 43.53 87.02 Favored Glycine 0 N--CA 1.49 2.275 0 N-CA-C 109.983 -1.247 . . . . 0.0 109.983 179.483 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 65' ' ' ASP . . . . . 0.438 ' OD2' ' O ' ' B' ' 67' ' ' GLU . 50.4 p-10 -72.01 -9.98 59.13 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 120.972 -1.31 . . . . 0.0 109.271 -179.796 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 73.97 5.1 69.25 Favored Glycine 0 N--CA 1.492 2.408 0 N-CA-C 110.543 -1.023 . . . . 0.0 110.543 178.878 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 67' ' ' GLU . . . . . 0.438 ' O ' ' OD2' ' B' ' 65' ' ' ASP . 12.6 pt-20 -149.26 159.39 44.31 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 120.98 -1.306 . . . . 0.0 109.536 -179.785 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 68' ' ' CYS . . . . . . . . . . . . . 81.7 m -106.12 111.33 23.9 Favored 'General case' 0 N--CA 1.496 1.841 0 O-C-N 121.47 -0.769 . . . . 0.0 109.14 179.783 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 69' ' ' ASP . . . . . 0.491 ' OD1' ' N ' ' B' ' 70' ' ' PHE . 10.3 t70 -89.37 178.52 6.31 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.39 -0.819 . . . . 0.0 109.488 -179.838 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 70' ' ' PHE . . . . . 0.491 ' N ' ' OD1' ' B' ' 69' ' ' ASP . 71.7 t80 -60.06 -45.96 91.14 Favored 'General case' 0 C--N 1.303 -1.456 0 O-C-N 121.288 -0.882 . . . . 0.0 109.352 -179.495 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 61.0 tt0 -61.89 -40.04 94.04 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.015 -1.053 . . . . 0.0 108.633 179.038 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 73.7 mm-40 -59.99 -37.26 79.15 Favored 'General case' 0 N--CA 1.494 1.743 0 O-C-N 121.528 -0.732 . . . . 0.0 109.973 179.891 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 73' ' ' PHE . . . . . . . . . . . . . 64.0 t80 -59.9 -44.38 94.3 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.192 -0.943 . . . . 0.0 109.262 -179.091 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 74' ' ' MET . . . . . . . . . . . . . 11.7 tpt -60.0 -40.09 88.01 Favored 'General case' 0 C--N 1.302 -1.484 0 O-C-N 121.154 -0.966 . . . . 0.0 108.468 178.826 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -61.33 -36.5 80.32 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.561 -0.712 . . . . 0.0 110.43 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 28.1 t80 -59.91 -49.82 76.19 Favored 'General case' 0 N--CA 1.495 1.796 0 O-C-N 121.056 -1.027 . . . . 0.0 109.535 -178.666 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 77' ' ' VAL . . . . . . . . . . . . . 96.1 t -62.51 -40.15 87.1 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.508 0 O-C-N 121.245 -0.909 . . . . 0.0 110.126 -179.764 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 78' ' ' SER . . . . . . . . . . . . . 78.7 p -64.27 -39.99 95.06 Favored 'General case' 0 N--CA 1.494 1.767 0 O-C-N 121.295 -0.878 . . . . 0.0 110.903 -178.925 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 79' ' ' MET . . . . . . . . . . . . . 4.3 tpt -59.97 -43.92 94.78 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 120.981 -1.075 . . . . 0.0 109.471 -179.39 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 71.8 t -69.78 -39.98 78.53 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.499 0 O-C-N 121.28 -0.888 . . . . 0.0 109.645 -179.698 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 94.3 m -67.49 -40.41 85.24 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.146 -0.971 . . . . 0.0 110.215 -179.451 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 33.9 p -65.25 -39.9 93.27 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.024 -1.047 . . . . 0.0 109.244 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -62.17 -39.98 94.47 Favored 'General case' 0 N--CA 1.488 1.448 0 O-C-N 121.315 -0.866 . . . . 0.0 109.128 179.64 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 84' ' ' CYS . . . . . . . . . . . . . 19.5 t -76.75 130.69 38.06 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.349 -0.844 . . . . 0.0 109.411 179.84 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 85' ' ' HIS . . . . . 0.411 ' C ' ' N ' ' B' ' 87' ' ' PHE . 21.6 m170 -114.09 174.74 5.79 Favored 'General case' 0 N--CA 1.498 1.974 0 O-C-N 121.62 -0.675 . . . . 0.0 109.279 -179.744 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 86' ' ' GLU . . . . . 0.533 ' O ' ' N ' ' B' ' 88' ' ' PHE . 44.3 tp10 -50.02 -20.13 0.88 Allowed 'General case' 0 N--CA 1.492 1.658 0 N-CA-C 108.489 -0.93 . . . . 0.0 108.489 179.538 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 87' ' ' PHE . . . . . 0.479 ' O ' ' CD1' ' B' ' 87' ' ' PHE . 51.8 t80 -46.95 -12.24 0.02 OUTLIER 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.545 -0.722 . . . . 0.0 109.801 179.254 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 88' ' ' PHE . . . . . 0.533 ' N ' ' O ' ' B' ' 86' ' ' GLU . 62.8 t80 . . . . . 0 N--CA 1.489 1.516 0 O-C-N 121.159 -0.963 . . . . 0.0 110.445 -179.189 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 8.9 m . . . . . 0 N--CA 1.493 1.703 0 N-CA-C 109.42 -0.585 . . . . 0.0 109.42 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -59.99 -34.48 73.38 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.218 -0.926 . . . . 0.0 109.858 -179.518 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 7.4 tt -59.87 -44.53 94.12 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.176 -0.952 . . . . 0.0 109.622 -178.454 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 87.5 tt0 -61.16 -42.47 98.62 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.003 -1.061 . . . . 0.0 109.7 179.822 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 77.3 mttt -62.09 -40.0 94.38 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.184 -0.947 . . . . 0.0 109.861 -179.814 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -59.99 -40.0 87.63 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.277 -0.889 . . . . 0.0 109.724 -179.349 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 92.7 mtp -60.08 -40.34 89.2 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 120.986 -1.071 . . . . 0.0 109.201 179.757 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 55.3 t -69.96 -40.03 78.18 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.482 0 O-C-N 121.238 -0.913 . . . . 0.0 109.475 179.334 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -62.43 -40.31 96.15 Favored 'General case' 0 N--CA 1.494 1.773 0 O-C-N 121.215 -0.928 . . . . 0.0 110.672 -179.357 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 60.6 tp -60.09 -43.48 95.51 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.138 -0.976 . . . . 0.0 110.563 -179.261 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 88.2 mt -65.76 -40.08 86.7 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.658 0 O-C-N 121.051 -1.03 . . . . 0.0 110.773 -179.038 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 96.0 m-20 -62.64 -41.93 99.32 Favored 'General case' 0 N--CA 1.497 1.913 0 O-C-N 120.816 -1.178 . . . . 0.0 111.083 -179.08 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 54.5 t -63.4 -40.03 87.53 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.766 0 O-C-N 121.066 -1.021 . . . . 0.0 109.859 -179.506 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 14' ' ' PHE . . . . . 0.472 ' CZ ' HD13 ' A' ' 27' ' ' LEU . 62.0 t80 -60.03 -42.6 94.76 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.328 -0.858 . . . . 0.0 110.541 -178.79 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 51.7 t60 -64.57 -39.97 94.72 Favored 'General case' 0 N--CA 1.495 1.812 0 O-C-N 121.278 -0.889 . . . . 0.0 111.024 -178.868 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 66.2 mm-40 -59.98 -40.05 87.78 Favored 'General case' 0 N--CA 1.498 1.962 0 O-C-N 120.766 -1.209 . . . . 0.0 111.36 -178.669 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 7.3 m-85 -68.53 -35.76 77.89 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 120.792 -1.192 . . . . 0.0 109.857 -179.468 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 5.1 t -60.08 -38.77 83.87 Favored 'General case' 0 C--N 1.299 -1.626 0 O-C-N 121.034 -1.042 . . . . 0.0 110.097 -179.341 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -74.78 7.21 21.64 Favored Glycine 0 N--CA 1.493 2.484 0 C-N-CA 120.173 -1.013 . . . . 0.0 111.326 -178.87 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 8.6 mmm180 -59.96 -50.06 75.23 Favored 'General case' 0 N--CA 1.498 1.949 0 O-C-N 120.557 -1.555 . . . . 0.0 109.537 -179.889 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 74.7 mm-40 -103.28 9.41 38.07 Favored 'General case' 0 N--CA 1.496 1.831 0 O-C-N 121.264 -0.898 . . . . 0.0 109.283 -179.742 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 86.46 1.62 85.71 Favored Glycine 0 N--CA 1.491 2.303 0 N-CA-C 108.873 -1.691 . . . . 0.0 108.873 -179.601 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 89.4 m-20 -85.6 82.79 8.1 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.326 -1.102 . . . . 0.0 108.809 179.886 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 9.4 mtmp? -86.48 90.87 8.36 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.325 -0.859 . . . . 0.0 109.09 -179.89 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 3.2 t-160 -173.22 -60.74 0.02 OUTLIER 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.46 -0.775 . . . . 0.0 109.131 -179.897 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 48.1 pttt -148.69 160.13 43.46 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.498 -0.751 . . . . 0.0 109.324 -179.71 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.472 HD13 ' CZ ' ' A' ' 14' ' ' PHE . 8.2 mp -98.62 136.18 39.07 Favored 'General case' 0 N--CA 1.497 1.916 0 O-C-N 121.207 -0.933 . . . . 0.0 109.716 -179.148 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 16.6 pttp -94.86 169.14 10.35 Favored 'General case' 0 N--CA 1.495 1.799 0 O-C-N 121.492 -0.755 . . . . 0.0 109.278 179.549 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 23.5 pttm -60.09 -35.14 74.54 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.279 -0.888 . . . . 0.0 110.759 -178.804 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 18.7 t -60.05 -42.09 93.74 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 120.739 -1.226 . . . . 0.0 108.629 -179.628 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 -69.99 -32.52 70.76 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.237 -0.914 . . . . 0.0 109.149 178.523 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 12.2 tp -59.98 -39.96 87.48 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.326 -0.859 . . . . 0.0 109.329 -179.434 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 21.0 tptm -58.56 -46.0 87.8 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 120.927 -1.108 . . . . 0.0 109.381 179.88 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 53.6 tp10 -66.56 -44.19 82.98 Favored 'General case' 0 C--N 1.302 -1.458 0 O-C-N 121.039 -1.038 . . . . 0.0 109.761 179.882 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 4.8 tt -60.11 -50.03 75.32 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.305 -0.872 . . . . 0.0 111.043 -179.164 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 93.3 mt -60.69 -45.91 96.76 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.654 0 O-C-N 121.011 -1.056 . . . . 0.0 109.943 -179.266 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 21.1 t-20 -67.3 -44.2 79.82 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 120.99 -1.069 . . . . 0.0 110.048 -179.848 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 21.4 t-20 -67.82 -39.99 83.88 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.409 -0.807 . . . . 0.0 110.977 -178.842 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 46.6 tp10 -80.11 -71.34 0.46 Allowed 'General case' 0 N--CA 1.494 1.731 0 O-C-N 120.975 -1.078 . . . . 0.0 110.626 -178.871 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 18.0 mt -100.86 127.16 47.43 Favored 'General case' 0 N--CA 1.496 1.864 0 O-C-N 121.416 -0.802 . . . . 0.0 109.839 -178.938 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.3 t -139.95 -46.76 0.44 Allowed 'General case' 0 N--CA 1.493 1.687 0 N-CA-C 108.285 -1.005 . . . . 0.0 108.285 178.835 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -60.84 -41.87 96.65 Favored 'General case' 0 N--CA 1.488 1.458 0 O-C-N 121.476 -0.765 . . . . 0.0 109.455 179.767 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 64.4 m-85 -70.0 -39.95 75.58 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 120.971 -1.081 . . . . 0.0 109.27 179.778 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 37.6 mt -128.95 125.77 38.19 Favored 'General case' 0 N--CA 1.5 2.066 0 O-C-N 121.551 -0.718 . . . . 0.0 109.11 179.815 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 15.6 pt-20 -146.92 15.06 1.19 Allowed 'General case' 0 N--CA 1.494 1.766 0 O-C-N 121.07 -1.019 . . . . 0.0 109.347 179.538 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 86.9 tt0 -87.42 -11.95 47.63 Favored 'General case' 0 N--CA 1.494 1.733 0 O-C-N 121.347 -0.845 . . . . 0.0 109.986 -179.59 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 88.4 mt -74.06 128.44 36.38 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.635 0 O-C-N 120.846 -1.159 . . . . 0.0 109.727 -179.772 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 86.2 tttt -150.16 -45.37 0.13 Allowed 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.318 -0.864 . . . . 0.0 109.455 179.528 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 42.2 mt-10 -85.37 147.72 26.37 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.303 -0.873 . . . . 0.0 110.084 -179.348 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 50' ' ' GLN . . . . . 0.691 ' H ' ' NE2' ' A' ' 50' ' ' GLN . 0.0 OUTLIER -69.64 -27.54 65.13 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.51 -0.744 . . . . 0.0 110.001 -179.797 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 36.7 tt0 -59.97 -40.08 87.85 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.25 -0.906 . . . . 0.0 109.942 -179.322 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 54.4 t -61.61 -43.2 96.65 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.67 0 O-C-N 121.161 -0.962 . . . . 0.0 109.899 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 53.2 t -60.14 -39.99 82.16 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.617 0 O-C-N 121.045 -1.034 . . . . 0.0 109.901 -179.424 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 8.2 t70 -60.0 -44.85 94.27 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.132 -0.98 . . . . 0.0 109.817 -179.501 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 36.5 ttpt -60.06 -47.94 83.77 Favored 'General case' 0 C--N 1.301 -1.54 0 O-C-N 121.179 -0.951 . . . . 0.0 109.571 179.686 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 53.4 t -69.94 -40.77 79.1 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.477 0 O-C-N 121.185 -0.947 . . . . 0.0 109.292 -179.833 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 15.9 tpt -60.2 -46.71 88.79 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.282 -0.886 . . . . 0.0 109.924 -179.632 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 43.2 tt0 -60.02 -40.11 88.18 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.251 -0.905 . . . . 0.0 109.915 -179.172 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 88.9 m -62.95 -40.32 97.33 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.293 -0.88 . . . . 0.0 109.717 -179.373 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 6.3 tp -81.43 -14.39 57.14 Favored 'General case' 0 N--CA 1.494 1.766 0 O-C-N 121.222 -0.924 . . . . 0.0 110.057 -179.635 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 61' ' ' ASP . . . . . 0.506 ' OD1' ' N ' ' A' ' 64' ' ' GLY . 58.0 t0 -79.01 97.45 6.09 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 120.886 -1.134 . . . . 0.0 109.726 -179.385 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 86.9 tt0 -82.3 -29.35 31.19 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.345 -0.847 . . . . 0.0 109.471 179.652 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 69.2 m-20 -87.6 -9.23 54.89 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.287 -0.883 . . . . 0.0 109.817 -179.243 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 64' ' ' GLY . . . . . 0.506 ' N ' ' OD1' ' A' ' 61' ' ' ASP . . . 61.69 16.2 50.31 Favored Glycine 0 N--CA 1.489 2.215 0 N-CA-C 109.337 -1.505 . . . . 0.0 109.337 -179.95 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 37.9 p-10 -90.44 -4.22 57.14 Favored 'General case' 0 N--CA 1.494 1.773 0 O-C-N 121.163 -1.198 . . . . 0.0 110.024 -179.79 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 69.94 30.78 69.92 Favored Glycine 0 N--CA 1.493 2.437 0 N-CA-C 110.358 -1.097 . . . . 0.0 110.358 179.081 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -134.94 147.75 49.87 Favored 'General case' 0 N--CA 1.5 2.048 0 O-C-N 121.28 -1.129 . . . . 0.0 109.324 -179.761 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 8.3 t -104.33 114.92 29.47 Favored 'General case' 0 N--CA 1.5 2.047 0 O-C-N 121.454 -0.779 . . . . 0.0 109.485 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 89.5 m-20 -89.13 167.28 13.25 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.469 -0.769 . . . . 0.0 109.542 179.78 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 55.9 t80 -60.01 -45.76 91.69 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.371 -0.83 . . . . 0.0 109.222 179.732 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 64.3 tt0 -60.12 -46.23 90.32 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.219 -0.926 . . . . 0.0 108.647 179.176 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -62.13 -39.68 93.39 Favored 'General case' 0 N--CA 1.489 1.523 0 CA-C-O 121.506 0.67 . . . . 0.0 109.496 -179.942 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 64.2 t80 -59.99 -40.73 90.15 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.412 -0.805 . . . . 0.0 109.745 -179.607 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 20.6 ttm -59.99 -38.3 82.17 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.158 -0.964 . . . . 0.0 109.657 179.329 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -58.87 -39.94 82.87 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.276 -0.89 . . . . 0.0 109.896 -178.909 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 67.6 t80 -59.97 -48.39 81.88 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 120.993 -1.067 . . . . 0.0 108.895 179.49 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 98.8 t -60.9 -38.64 79.69 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.539 0 O-C-N 121.686 -0.634 . . . . 0.0 109.594 179.47 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 23.3 t -58.79 -40.01 82.75 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.319 -0.863 . . . . 0.0 110.43 -178.812 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 52.1 mtt -60.01 -40.0 87.78 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 120.918 -1.114 . . . . 0.0 109.982 -179.543 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 94.6 t -68.48 -40.05 81.56 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.564 0 O-C-N 121.043 -1.036 . . . . 0.0 109.857 -179.753 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 81' ' ' THR . . . . . 0.501 ' O ' ' SG ' ' A' ' 84' ' ' CYS . 66.9 p -68.0 -40.01 83.12 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.083 -1.011 . . . . 0.0 110.605 -179.438 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 28.4 p -60.07 -39.92 87.73 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 120.836 -1.165 . . . . 0.0 109.504 -179.774 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -61.2 -29.14 69.63 Favored 'General case' 0 C--N 1.302 -1.484 0 O-C-N 121.303 -0.873 . . . . 0.0 109.79 -179.866 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 84' ' ' CYS . . . . . 0.501 ' SG ' ' O ' ' A' ' 81' ' ' THR . 1.5 p -66.41 138.25 57.44 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.187 -0.946 . . . . 0.0 110.084 -179.271 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 85' ' ' HIS . . . . . 0.529 ' O ' ' ND1' ' A' ' 85' ' ' HIS . 42.1 t-80 -108.15 25.3 11.78 Favored 'General case' 0 N--CA 1.501 2.088 0 O-C-N 121.514 -0.742 . . . . 0.0 109.29 179.711 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 86' ' ' GLU . . . . . 0.456 ' CB ' ' O ' ' A' ' 85' ' ' HIS . 7.0 tm-20 77.16 -28.17 0.17 Allowed 'General case' 0 N--CA 1.498 1.929 0 O-C-N 121.494 -0.754 . . . . 0.0 109.299 -179.871 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 87' ' ' PHE . . . . . 0.52 ' O ' ' CD2' ' A' ' 87' ' ' PHE . 61.7 t80 -87.1 -8.89 56.58 Favored 'General case' 0 N--CA 1.489 1.511 0 N-CA-C 108.451 -0.944 . . . . 0.0 108.451 178.954 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 38.6 t80 . . . . . 0 N--CA 1.488 1.444 0 N-CA-C 108.78 -0.822 . . . . 0.0 108.78 -179.86 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 14.4 m . . . . . 0 N--CA 1.493 1.699 0 N-CA-C 109.416 -0.587 . . . . 0.0 109.416 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 95.0 mt-10 -59.97 -35.03 74.13 Favored 'General case' 0 N--CA 1.494 1.748 0 O-C-N 121.195 -0.941 . . . . 0.0 109.876 -179.914 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 7.6 tt -59.62 -44.48 93.44 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.279 -0.888 . . . . 0.0 109.641 -178.509 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 85.7 tt0 -61.02 -42.71 98.98 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.108 -0.995 . . . . 0.0 109.722 179.762 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 79.7 mttt -62.11 -40.03 94.51 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.262 -0.898 . . . . 0.0 109.813 -179.711 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -59.91 -40.05 87.5 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.3 -0.875 . . . . 0.0 109.889 -179.447 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 7' ' ' MET . . . . . . . . . . . . . 93.3 mtp -60.04 -40.77 90.54 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 120.998 -1.064 . . . . 0.0 109.096 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 54.4 t -69.6 -40.08 79.08 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.509 0 O-C-N 121.239 -0.913 . . . . 0.0 109.388 179.616 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -62.52 -40.45 96.79 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.274 -0.891 . . . . 0.0 110.79 -179.293 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 60.5 tp -60.04 -42.86 95.34 Favored 'General case' 0 N--CA 1.494 1.771 0 O-C-N 121.097 -1.002 . . . . 0.0 110.47 -179.366 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 96.6 mt -66.1 -40.28 86.73 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.725 0 O-C-N 121.076 -1.015 . . . . 0.0 110.836 -178.931 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 96.3 m-20 -62.64 -41.99 99.34 Favored 'General case' 0 N--CA 1.496 1.826 0 O-C-N 121.006 -1.059 . . . . 0.0 110.961 -179.237 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 54.5 t -63.37 -40.01 87.42 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.749 0 O-C-N 121.095 -1.003 . . . . 0.0 110.053 -179.616 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 14' ' ' PHE . . . . . 0.485 ' CZ ' HD13 ' B' ' 27' ' ' LEU . 62.3 t80 -60.02 -41.9 93.18 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.278 -0.889 . . . . 0.0 110.583 -179.058 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 48.3 t60 -65.09 -39.93 93.88 Favored 'General case' 0 N--CA 1.496 1.85 0 O-C-N 121.188 -0.945 . . . . 0.0 111.16 -178.946 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 67.9 mm-40 -60.03 -40.09 88.16 Favored 'General case' 0 N--CA 1.499 2.023 0 O-C-N 120.906 -1.121 . . . . 0.0 111.274 -178.538 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 7.9 m-85 -68.45 -35.94 78.31 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 120.844 -1.16 . . . . 0.0 109.982 -179.44 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 5.1 t -60.03 -38.16 81.92 Favored 'General case' 0 C--N 1.299 -1.602 0 O-C-N 121.052 -1.03 . . . . 0.0 110.022 -179.324 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -75.02 6.78 25.64 Favored Glycine 0 N--CA 1.494 2.566 0 C-N-CA 120.249 -0.977 . . . . 0.0 111.279 -178.852 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 8.9 mmm180 -60.02 -50.06 75.21 Favored 'General case' 0 N--CA 1.498 1.959 0 O-C-N 120.542 -1.563 . . . . 0.0 109.65 -179.835 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 75.0 mm-40 -103.19 9.41 38.26 Favored 'General case' 0 N--CA 1.497 1.881 0 O-C-N 121.372 -0.83 . . . . 0.0 109.322 -179.849 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . 86.76 0.83 85.72 Favored Glycine 0 N--CA 1.491 2.306 0 N-CA-C 108.872 -1.691 . . . . 0.0 108.872 -179.449 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 91.9 m-20 -84.62 82.46 8.41 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.435 -1.038 . . . . 0.0 108.894 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 9.6 mtmp? -86.65 91.0 8.45 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.224 -0.922 . . . . 0.0 109.148 -179.857 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 25' ' ' HIS . . . . . . . . . . . . . 3.2 t-160 -173.31 -60.46 0.02 OUTLIER 'General case' 0 N--CA 1.488 1.47 0 O-C-N 121.397 -0.815 . . . . 0.0 109.093 -179.939 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 45.1 pttt -148.82 160.09 43.55 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.45 -0.781 . . . . 0.0 109.248 -179.636 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 27' ' ' LEU . . . . . 0.485 HD13 ' CZ ' ' B' ' 14' ' ' PHE . 8.4 mp -98.67 135.72 39.77 Favored 'General case' 0 N--CA 1.499 2.013 0 O-C-N 121.266 -0.896 . . . . 0.0 109.637 -179.143 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 16.4 pttp -94.49 169.4 10.23 Favored 'General case' 0 N--CA 1.496 1.852 0 O-C-N 121.374 -0.829 . . . . 0.0 109.325 179.548 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 24.0 pttm -60.03 -35.4 75.01 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.327 -0.858 . . . . 0.0 110.809 -178.969 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 16.0 t -59.95 -41.97 93.03 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 120.772 -1.205 . . . . 0.0 108.737 -179.624 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -69.9 -32.6 71.01 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.182 -0.949 . . . . 0.0 109.184 178.421 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 14.1 tp -59.94 -40.04 87.59 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.355 -0.841 . . . . 0.0 109.312 -179.388 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 21.3 tptm -58.59 -46.39 87.07 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 120.909 -1.12 . . . . 0.0 109.278 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 53.2 tp10 -66.09 -44.42 84.47 Favored 'General case' 0 C--N 1.3 -1.561 0 O-C-N 121.04 -1.038 . . . . 0.0 109.754 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 5.3 tt -59.97 -49.97 75.6 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.302 -0.874 . . . . 0.0 111.142 -179.015 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 95.6 mt -61.17 -45.2 99.04 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.654 0 O-C-N 120.943 -1.098 . . . . 0.0 109.785 -179.222 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 21.0 t-20 -67.83 -43.66 79.06 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.066 -1.022 . . . . 0.0 109.978 -179.882 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 21.7 t-20 -68.36 -40.03 81.61 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.481 -0.762 . . . . 0.0 110.968 -178.799 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 47.1 tp10 -80.0 -71.24 0.46 Allowed 'General case' 0 N--CA 1.493 1.675 0 O-C-N 120.933 -1.104 . . . . 0.0 110.597 -178.808 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 19.5 mt -100.95 126.95 47.63 Favored 'General case' 0 N--CA 1.495 1.801 0 O-C-N 121.423 -0.798 . . . . 0.0 109.96 -178.938 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 1.3 t -139.95 -46.64 0.44 Allowed 'General case' 0 N--CA 1.494 1.734 0 N-CA-C 108.445 -0.946 . . . . 0.0 108.445 178.802 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 42' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -61.04 -41.83 97.32 Favored 'General case' 0 N--CA 1.487 1.422 0 O-C-N 121.553 -0.717 . . . . 0.0 109.528 179.732 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 65.1 m-85 -69.95 -40.03 75.69 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 120.992 -1.068 . . . . 0.0 109.261 179.652 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 50.4 mt -128.53 125.95 39.4 Favored 'General case' 0 N--CA 1.499 1.991 0 N-CA-C 109.117 -0.697 . . . . 0.0 109.117 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 15.2 pt-20 -147.49 15.35 1.12 Allowed 'General case' 0 N--CA 1.494 1.757 0 O-C-N 121.067 -1.021 . . . . 0.0 109.297 179.581 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 86.8 tt0 -87.7 -12.19 46.08 Favored 'General case' 0 N--CA 1.494 1.745 0 O-C-N 121.375 -0.828 . . . . 0.0 110.052 -179.625 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 91.9 mt -73.86 128.33 36.21 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.651 0 O-C-N 120.936 -1.103 . . . . 0.0 109.649 -179.722 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 86.3 tttt -149.55 -45.76 0.14 Allowed 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.296 -0.877 . . . . 0.0 109.457 179.419 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 41.8 mt-10 -85.28 148.12 26.21 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.188 -0.945 . . . . 0.0 110.214 -179.271 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 50' ' ' GLN . . . . . 0.686 ' NE2' ' H ' ' B' ' 50' ' ' GLN . 0.0 OUTLIER -69.69 -27.58 65.12 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.628 -0.67 . . . . 0.0 109.947 -179.781 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 37.8 tt0 -60.09 -40.01 88.12 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.347 -0.846 . . . . 0.0 109.896 -179.151 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 54.1 t -61.91 -43.06 96.94 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.552 0 O-C-N 121.126 -0.984 . . . . 0.0 109.836 -179.815 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 53.7 t -60.02 -40.0 81.92 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.624 0 O-C-N 121.142 -0.974 . . . . 0.0 109.832 -179.486 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 8.9 t70 -59.98 -45.15 93.62 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.111 -0.993 . . . . 0.0 109.98 -179.538 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 36.5 ttpt -60.1 -47.77 84.49 Favored 'General case' 0 C--N 1.302 -1.484 0 O-C-N 121.166 -0.959 . . . . 0.0 109.541 179.772 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 53.0 t -69.82 -41.03 79.66 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.492 0 O-C-N 121.252 -0.905 . . . . 0.0 109.357 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 57' ' ' MET . . . . . . . . . . . . . 15.9 tpt -60.35 -46.41 90.04 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.284 -0.885 . . . . 0.0 109.896 -179.635 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 42.2 tt0 -60.05 -40.08 88.2 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.292 -0.88 . . . . 0.0 109.982 -179.264 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 92.1 m -63.26 -40.12 96.51 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.229 -0.92 . . . . 0.0 109.828 -179.283 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 5.9 tp -81.31 -14.67 57.08 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.277 -0.89 . . . . 0.0 110.005 -179.691 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 61' ' ' ASP . . . . . 0.513 ' OD1' ' N ' ' B' ' 64' ' ' GLY . 60.6 t0 -79.14 98.01 6.4 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 120.794 -1.191 . . . . 0.0 109.66 -179.45 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 86.8 tt0 -83.07 -28.67 29.39 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.41 -0.806 . . . . 0.0 109.419 179.803 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 69.5 m-20 -88.12 -8.9 54.76 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.255 -0.903 . . . . 0.0 109.73 -179.405 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 64' ' ' GLY . . . . . 0.513 ' N ' ' OD1' ' B' ' 61' ' ' ASP . . . 61.33 16.46 49.49 Favored Glycine 0 N--CA 1.489 2.217 0 N-CA-C 109.364 -1.494 . . . . 0.0 109.364 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 37.8 p-10 -90.56 -3.99 57.19 Favored 'General case' 0 N--CA 1.494 1.753 0 O-C-N 121.261 -1.14 . . . . 0.0 109.891 -179.785 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 69.99 30.34 70.12 Favored Glycine 0 N--CA 1.493 2.481 0 C-N-CA 119.978 -1.106 . . . . 0.0 110.395 179.079 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 98.1 mt-10 -134.78 148.1 50.14 Favored 'General case' 0 N--CA 1.498 1.929 0 O-C-N 121.167 -1.196 . . . . 0.0 109.469 -179.786 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 68' ' ' CYS . . . . . . . . . . . . . 8.0 t -104.47 114.74 29.17 Favored 'General case' 0 N--CA 1.499 2.0 0 O-C-N 121.383 -0.823 . . . . 0.0 109.57 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 89.6 m-20 -89.15 167.63 12.96 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.339 -0.851 . . . . 0.0 109.516 179.873 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 58.1 t80 -59.99 -46.03 90.8 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.196 -0.94 . . . . 0.0 109.186 179.637 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 65.2 tt0 -60.12 -46.03 91.0 Favored 'General case' 0 N--CA 1.49 1.559 0 N-CA-C 108.497 -0.927 . . . . 0.0 108.497 179.375 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 99.2 mt-10 -62.55 -39.39 93.46 Favored 'General case' 0 C--N 1.303 -1.429 0 CA-C-O 121.431 0.634 . . . . 0.0 109.557 -179.898 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 73' ' ' PHE . . . . . . . . . . . . . 58.6 t80 -60.03 -40.81 90.64 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.425 -0.797 . . . . 0.0 109.736 -179.541 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 74' ' ' MET . . . . . . . . . . . . . 21.6 ttm -60.07 -38.19 82.13 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.259 -0.901 . . . . 0.0 109.702 179.474 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -58.83 -40.04 83.02 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.262 -0.899 . . . . 0.0 109.879 -179.063 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 66.2 t80 -60.02 -48.12 83.03 Favored 'General case' 0 C--N 1.302 -1.46 0 O-C-N 120.935 -1.103 . . . . 0.0 108.841 179.563 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 77' ' ' VAL . . . . . . . . . . . . . 84.2 t -61.01 -38.68 80.04 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.528 0 O-C-N 121.711 -0.618 . . . . 0.0 109.568 179.344 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 78' ' ' SER . . . . . . . . . . . . . 18.5 t -58.65 -39.94 82.04 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.203 -0.936 . . . . 0.0 110.4 -178.832 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 79' ' ' MET . . . . . . . . . . . . . 53.6 mtt -60.14 -39.91 87.97 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 120.951 -1.093 . . . . 0.0 110.017 -179.542 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 97.1 t -68.49 -40.05 81.55 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.517 0 O-C-N 120.924 -1.11 . . . . 0.0 109.881 -179.813 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 81' ' ' THR . . . . . 0.514 ' O ' ' SG ' ' B' ' 84' ' ' CYS . 61.5 p -68.22 -39.94 82.23 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 121.174 -0.954 . . . . 0.0 110.6 -179.352 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 30.0 p -60.1 -39.54 86.51 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 120.73 -1.231 . . . . 0.0 109.408 -179.769 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -61.43 -29.04 69.69 Favored 'General case' 0 C--N 1.299 -1.593 0 O-C-N 121.487 -0.758 . . . . 0.0 109.818 -179.839 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 84' ' ' CYS . . . . . 0.514 ' SG ' ' O ' ' B' ' 81' ' ' THR . 1.8 p -66.67 138.89 57.75 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.119 -0.988 . . . . 0.0 110.127 -179.308 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 85' ' ' HIS . . . . . 0.516 ' O ' ' ND1' ' B' ' 85' ' ' HIS . 39.8 t-80 -108.27 25.22 11.9 Favored 'General case' 0 N--CA 1.499 1.998 0 O-C-N 121.588 -0.695 . . . . 0.0 109.236 179.663 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 86' ' ' GLU . . . . . 0.459 ' CB ' ' O ' ' B' ' 85' ' ' HIS . 7.0 tm-20 76.98 -27.91 0.18 Allowed 'General case' 0 N--CA 1.496 1.852 0 O-C-N 121.494 -0.754 . . . . 0.0 109.276 -179.646 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 87' ' ' PHE . . . . . 0.511 ' O ' ' CD2' ' B' ' 87' ' ' PHE . 61.2 t80 -87.4 -8.97 55.96 Favored 'General case' 0 N--CA 1.49 1.569 0 N-CA-C 108.409 -0.959 . . . . 0.0 108.409 179.098 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 38.7 t80 . . . . . 0 N--CA 1.487 1.42 0 N-CA-C 109.036 -0.728 . . . . 0.0 109.036 -179.869 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.491 1.586 0 N-CA-C 109.397 -0.594 . . . . 0.0 109.397 . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 29.2 t -69.95 132.33 45.79 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.035 -1.04 . . . . 0.0 109.759 179.742 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 13.6 tm-20 -60.03 -36.15 76.65 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.604 -0.685 . . . . 0.0 109.932 -179.72 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.501 ' CD2' ' N ' ' A' ' 3' ' ' LEU . 3.2 mm? -59.11 -39.07 81.12 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.319 -0.863 . . . . 0.0 109.799 -179.02 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 70.8 mm-40 -60.0 -40.41 89.13 Favored 'General case' 0 C--N 1.301 -1.543 0 O-C-N 120.799 -1.188 . . . . 0.0 109.359 -179.739 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 38.6 ttpt -69.97 -40.03 75.62 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 120.987 -1.07 . . . . 0.0 109.984 179.37 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -69.59 -40.49 76.67 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.3 -0.875 . . . . 0.0 110.097 -179.14 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 6.7 mmt -61.47 -40.44 94.55 Favored 'General case' 0 N--CA 1.486 1.363 0 O-C-N 121.044 -1.035 . . . . 0.0 108.766 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 79.3 t -69.92 -41.98 79.64 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.442 0 O-C-N 121.423 -0.798 . . . . 0.0 109.536 179.44 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -66.42 -42.42 87.79 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.309 -0.869 . . . . 0.0 110.33 -179.333 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 63.4 tp -60.0 -50.04 75.31 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.043 -1.036 . . . . 0.0 109.256 -179.935 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 93.4 mt -70.3 -40.84 78.35 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.593 0 O-C-N 121.268 -0.895 . . . . 0.0 110.551 179.865 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 62.2 t0 -60.05 -47.57 85.32 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.347 -0.845 . . . . 0.0 110.73 -178.584 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 54.3 t -60.2 -42.52 90.57 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.523 0 O-C-N 121.091 -1.006 . . . . 0.0 110.049 -178.812 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 64.9 t80 -59.95 -44.86 94.14 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.141 -0.974 . . . . 0.0 110.665 -179.545 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 11.0 t-80 -63.85 -52.12 61.54 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.022 -1.049 . . . . 0.0 110.544 -178.956 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 80.1 mt-30 -69.96 -40.05 75.64 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.379 -0.825 . . . . 0.0 111.301 -178.859 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 24.0 t80 -69.92 -43.44 71.65 Favored 'General case' 0 N--CA 1.495 1.793 0 O-C-N 121.007 -1.058 . . . . 0.0 110.586 -178.468 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 54.3 p -75.02 -19.92 59.84 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.274 -0.891 . . . . 0.0 110.235 -179.415 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -77.29 -2.3 78.56 Favored Glycine 0 N--CA 1.493 2.468 0 C-N-CA 120.111 -1.043 . . . . 0.0 110.841 -178.752 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.543 ' NH2' ' OE1' ' A' ' 34' ' ' GLU . 38.9 ttp180 -60.01 -41.75 92.83 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 120.825 -1.397 . . . . 0.0 109.636 -179.673 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.452 ' OE1' ' N ' ' A' ' 21' ' ' GLU . 3.1 mp0 -100.97 164.98 11.56 Favored 'General case' 0 N--CA 1.495 1.803 0 O-C-N 121.31 -0.869 . . . . 0.0 109.497 -179.499 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -55.76 -16.6 12.32 Favored Glycine 0 N--CA 1.491 2.312 0 N-CA-C 109.628 -1.389 . . . . 0.0 109.628 179.895 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 74.1 m-20 -85.15 104.54 15.13 Favored 'General case' 0 N--CA 1.494 1.757 0 O-C-N 121.184 -1.186 . . . . 0.0 108.716 179.822 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 8.9 ptpp? -107.81 -16.78 14.24 Favored 'General case' 0 N--CA 1.497 1.91 0 O-C-N 121.48 -0.762 . . . . 0.0 110.369 -179.574 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 2.4 t60 -99.96 -7.15 25.5 Favored 'General case' 0 N--CA 1.499 1.979 0 O-C-N 121.148 -0.97 . . . . 0.0 111.436 -178.481 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 40.8 pttt -149.35 160.0 43.79 Favored 'General case' 0 N--CA 1.5 2.034 0 O-C-N 120.654 -1.279 . . . . 0.0 110.55 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 1.5 tp -106.06 135.38 47.63 Favored 'General case' 0 N--CA 1.499 1.996 0 N-CA-C 108.996 -0.742 . . . . 0.0 108.996 -179.477 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 37.4 mmtm -94.84 166.42 11.99 Favored 'General case' 0 N--CA 1.499 2.0 0 O-C-N 121.229 -0.919 . . . . 0.0 110.8 -179.324 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 34.6 mttp -60.99 -41.16 95.95 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.805 -0.56 . . . . 0.0 110.922 -178.671 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 71.7 p -67.17 -40.44 86.6 Favored 'General case' 0 N--CA 1.495 1.799 0 O-C-N 121.052 -1.03 . . . . 0.0 110.462 -178.43 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 39.6 tt0 -61.76 -36.54 81.34 Favored 'General case' 0 C--N 1.3 -1.565 0 O-C-N 121.107 -0.996 . . . . 0.0 109.455 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 56.2 tp -59.92 -43.62 94.81 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.231 -0.918 . . . . 0.0 109.809 -179.343 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 24.4 ttpp -60.18 -41.89 93.85 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 120.926 -1.109 . . . . 0.0 109.276 179.597 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' GLU . . . . . 0.543 ' OE1' ' NH2' ' A' ' 20' ' ' ARG . 98.8 mt-10 -62.25 -40.09 95.02 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.38 -0.825 . . . . 0.0 110.402 -179.722 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 42.1 tp -59.92 -48.71 80.58 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.172 -0.955 . . . . 0.0 109.179 -178.521 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 88.4 mt -65.38 -39.98 86.95 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.554 0 O-C-N 121.196 -0.94 . . . . 0.0 109.386 179.714 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 48.1 t-20 -69.27 -23.21 63.81 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.439 -0.788 . . . . 0.0 110.758 -179.324 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 1.1 t30 -48.93 -75.76 0.03 OUTLIER 'General case' 0 N--CA 1.494 1.765 0 O-C-N 120.888 -1.133 . . . . 0.0 110.006 -178.937 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 25.0 tp10 -163.04 19.7 0.08 Allowed 'General case' 0 N--CA 1.493 1.686 0 O-C-N 120.877 -1.139 . . . . 0.0 109.367 179.821 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 85.0 mt -91.91 8.12 38.91 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.116 -0.99 . . . . 0.0 108.832 -179.729 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' SER . . . . . 0.412 ' O ' ' O ' ' A' ' 44' ' ' LEU . 83.8 p -60.31 -13.64 13.98 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.615 -0.678 . . . . 0.0 110.036 -179.642 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 38.4 t-80 -59.95 -47.7 84.73 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.031 -1.043 . . . . 0.0 109.641 -179.67 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 85.7 m-85 -70.04 -39.97 75.43 Favored 'General case' 0 N--CA 1.488 1.457 0 O-C-N 121.22 -0.925 . . . . 0.0 109.583 179.899 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.412 ' O ' ' O ' ' A' ' 41' ' ' SER . 66.6 mt -123.78 130.08 52.07 Favored 'General case' 0 N--CA 1.502 2.16 0 O-C-N 121.564 -0.71 . . . . 0.0 109.557 -179.471 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 57.0 tt0 -130.36 26.8 5.09 Favored 'General case' 0 N--CA 1.503 2.181 0 O-C-N 121.139 -0.975 . . . . 0.0 109.049 179.599 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 6.2 tp10 -101.69 12.91 36.33 Favored 'General case' 0 N--CA 1.501 2.084 0 O-C-N 121.3 -0.875 . . . . 0.0 110.649 -179.043 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 40.3 mm -73.75 127.8 35.83 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.797 0 O-C-N 120.621 -1.299 . . . . 0.0 109.66 -179.416 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -159.0 -61.07 0.07 Allowed 'General case' 0 N--CA 1.496 1.869 0 N-CA-C 108.764 -0.828 . . . . 0.0 108.764 179.504 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -100.71 153.87 19.08 Favored 'General case' 0 N--CA 1.495 1.78 0 O-C-N 121.324 -0.86 . . . . 0.0 108.741 179.303 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 59.4 mt-30 -60.07 -28.05 67.48 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.317 -0.865 . . . . 0.0 110.504 -179.559 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 1.6 pp20? -59.99 -33.08 71.47 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.017 -1.052 . . . . 0.0 110.156 -179.024 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 54.4 t -59.98 -46.76 93.71 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.651 0 O-C-N 121.023 -1.048 . . . . 0.0 109.172 -179.762 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 54.6 t -60.12 -45.53 95.65 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.497 0 O-C-N 121.274 -0.891 . . . . 0.0 109.066 179.764 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 63.0 t0 -61.38 -46.72 89.0 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.39 -0.819 . . . . 0.0 109.974 -179.714 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 34.9 tttm -60.14 -43.21 95.89 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.129 -0.982 . . . . 0.0 108.895 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 52.1 t -69.6 -39.98 78.97 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.568 0 O-C-N 121.659 -0.651 . . . . 0.0 110.115 179.765 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' MET . . . . . 0.461 ' O ' HD23 ' A' ' 60' ' ' LEU . 27.3 ttt -59.96 -40.08 87.84 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.249 -0.907 . . . . 0.0 109.888 -178.601 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 86.1 tt0 -63.03 -35.07 79.01 Favored 'General case' 0 C--N 1.298 -1.636 0 O-C-N 121.024 -1.047 . . . . 0.0 109.851 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 59.9 m -60.03 -45.23 93.48 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.318 -0.864 . . . . 0.0 111.376 -177.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.461 HD23 ' O ' ' A' ' 57' ' ' MET . 0.3 OUTLIER -81.71 -8.52 59.71 Favored 'General case' 0 N--CA 1.502 2.166 0 O-C-N 120.583 -1.323 . . . . 0.0 110.266 -179.212 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 61' ' ' ASP . . . . . 0.417 ' N ' HD23 ' A' ' 60' ' ' LEU . 79.8 m-20 -76.42 118.17 18.83 Favored 'General case' 0 N--CA 1.495 1.792 0 O-C-N 120.978 -1.076 . . . . 0.0 109.626 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 67.2 mm-40 -94.92 -42.79 8.49 Favored 'General case' 0 N--CA 1.496 1.87 0 O-C-N 121.263 -0.898 . . . . 0.0 109.945 -179.812 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 43.4 p-10 -101.88 0.97 36.39 Favored 'General case' 0 N--CA 1.497 1.908 0 O-C-N 121.339 -0.85 . . . . 0.0 110.062 -179.441 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 49.71 51.48 28.25 Favored Glycine 0 N--CA 1.492 2.393 0 N-CA-C 109.337 -1.505 . . . . 0.0 109.337 179.829 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 38.5 p-10 -84.76 -6.98 59.37 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.242 -1.152 . . . . 0.0 110.219 -179.335 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 88.9 -7.27 82.52 Favored Glycine 0 N--CA 1.494 2.564 0 N-CA-C 109.845 -1.302 . . . . 0.0 109.845 179.618 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 21.4 pt-20 -139.77 159.09 42.96 Favored 'General case' 0 N--CA 1.495 1.79 0 O-C-N 121.148 -1.207 . . . . 0.0 108.775 -179.847 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -112.69 112.99 24.89 Favored 'General case' 0 N--CA 1.499 1.995 0 O-C-N 121.421 -0.799 . . . . 0.0 109.722 -179.298 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 90.1 m-20 -90.54 -177.36 5.02 Favored 'General case' 0 N--CA 1.495 1.782 0 O-C-N 121.513 -0.742 . . . . 0.0 109.436 179.548 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 66.9 t80 -59.99 -40.28 88.66 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.41 -0.806 . . . . 0.0 110.712 -179.642 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 1.5 tm0? -59.96 -43.84 94.8 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.005 -1.059 . . . . 0.0 109.793 -179.716 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 69.6 mt-10 -64.86 -35.31 80.71 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.088 -1.007 . . . . 0.0 110.104 -179.813 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 50.2 t80 -58.48 -40.01 81.56 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.171 -0.956 . . . . 0.0 109.261 -179.685 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 91.2 mmm -59.98 -38.31 82.17 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.11 -0.994 . . . . 0.0 109.125 179.306 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -58.34 -40.1 81.24 Favored 'General case' 0 N--CA 1.488 1.453 0 O-C-N 121.293 -0.879 . . . . 0.0 109.576 -179.322 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 70.8 t80 -60.04 -40.01 87.9 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.045 -1.035 . . . . 0.0 109.971 179.514 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 61.1 t -59.99 -42.44 89.58 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.506 0 O-C-N 121.121 -0.987 . . . . 0.0 108.845 -179.892 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 81.1 p -61.14 -39.28 89.45 Favored 'General case' 0 N--CA 1.488 1.439 0 O-C-N 121.36 -0.838 . . . . 0.0 108.936 179.036 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 49.3 ttm -60.03 -40.24 88.67 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.65 -0.656 . . . . 0.0 110.498 -179.429 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 64.6 t -67.41 -41.27 86.03 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.666 0 O-C-N 120.936 -1.103 . . . . 0.0 110.278 -179.21 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 81.8 p -69.14 -41.71 76.96 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.061 -1.024 . . . . 0.0 110.772 -178.734 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 82.6 p -71.22 -40.06 71.33 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.087 -1.008 . . . . 0.0 109.74 -179.899 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -69.94 -40.04 75.71 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.327 -0.858 . . . . 0.0 110.68 -179.653 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 15.5 p -67.71 146.61 53.62 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.153 -0.967 . . . . 0.0 110.317 -178.872 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 76.6 m80 -82.22 162.58 22.31 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.469 -0.769 . . . . 0.0 109.824 179.703 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 86' ' ' GLU . . . . . 0.533 ' C ' ' H ' ' A' ' 88' ' ' PHE . 99.2 mt-10 -89.43 -0.08 57.23 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.38 -0.825 . . . . 0.0 109.229 179.746 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 34.4 t80 -67.47 17.44 0.03 OUTLIER 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.318 -0.864 . . . . 0.0 110.052 -179.492 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 88' ' ' PHE . . . . . 0.533 ' H ' ' C ' ' A' ' 86' ' ' GLU . 7.6 m-85 -73.32 -4.87 35.98 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.067 -1.021 . . . . 0.0 109.006 179.49 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 89' ' ' GLU . . . . . 0.474 ' O ' ' O ' ' A' ' 88' ' ' PHE . 3.4 pt-20 -48.73 -99.15 0.0 OUTLIER 'General case' 0 N--CA 1.495 1.824 0 O-C-N 121.4 -0.813 . . . . 0.0 109.312 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 64.0 t60 -78.22 153.74 31.67 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 120.835 -1.166 . . . . 0.0 108.912 179.774 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 19.7 pt-20 . . . . . 0 N--CA 1.491 1.607 0 O-C-N 121.05 -1.031 . . . . 0.0 109.562 -179.733 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 0' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.49 1.552 0 N-CA-C 109.266 -0.642 . . . . 0.0 109.266 . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 31.2 t -70.12 132.36 45.71 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.139 -0.975 . . . . 0.0 109.596 179.887 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 13.6 tm-20 -60.0 -36.45 77.23 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.517 -0.739 . . . . 0.0 109.867 -179.735 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 3' ' ' LEU . . . . . 0.484 ' CD2' ' N ' ' B' ' 3' ' ' LEU . 3.3 mm? -58.71 -39.25 80.28 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.455 -0.778 . . . . 0.0 109.915 -178.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 70.3 mm-40 -59.99 -40.57 89.62 Favored 'General case' 0 C--N 1.3 -1.549 0 O-C-N 120.755 -1.216 . . . . 0.0 109.346 -179.867 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 38.8 ttpt -69.98 -39.97 75.62 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 120.875 -1.141 . . . . 0.0 109.903 179.501 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -69.63 -40.14 76.74 Favored 'General case' 0 N--CA 1.494 1.736 0 O-C-N 121.193 -0.942 . . . . 0.0 110.13 -179.241 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 7' ' ' MET . . . . . . . . . . . . . 6.8 mmt -61.87 -40.22 94.62 Favored 'General case' 0 C--N 1.303 -1.418 0 O-C-N 121.126 -0.983 . . . . 0.0 108.749 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 53.1 t -70.14 -42.05 79.09 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.392 0 O-C-N 121.537 -0.727 . . . . 0.0 109.489 179.419 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -66.69 -42.27 86.76 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.205 -0.934 . . . . 0.0 110.256 -179.34 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 61.9 tp -59.98 -50.07 75.21 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.047 -1.033 . . . . 0.0 109.268 -179.926 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 93.2 mt -70.01 -41.09 79.23 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.681 0 O-C-N 121.299 -0.876 . . . . 0.0 110.549 179.683 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 62.1 t0 -59.99 -47.35 86.19 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.181 -0.95 . . . . 0.0 110.835 -178.641 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 58.7 t -60.31 -42.51 90.92 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.526 0 O-C-N 121.179 -0.951 . . . . 0.0 110.055 -178.861 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 14' ' ' PHE . . . . . . . . . . . . . 63.9 t80 -60.07 -44.56 94.66 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.03 -1.044 . . . . 0.0 110.591 -179.536 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 11.0 t-80 -64.04 -52.21 60.49 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.07 -1.019 . . . . 0.0 110.475 -178.97 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 81.1 mt-30 -69.98 -39.95 75.65 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.275 -0.891 . . . . 0.0 111.292 -178.829 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 24.3 t80 -69.59 -43.68 72.31 Favored 'General case' 0 N--CA 1.495 1.78 0 O-C-N 121.04 -1.038 . . . . 0.0 110.572 -178.594 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 53.6 p -74.97 -20.0 59.85 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.213 -0.929 . . . . 0.0 110.292 -179.174 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -77.51 -2.07 78.74 Favored Glycine 0 N--CA 1.49 2.265 0 C-N-CA 120.086 -1.054 . . . . 0.0 110.937 -178.867 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 20' ' ' ARG . . . . . 0.539 ' NH2' ' OE1' ' B' ' 34' ' ' GLU . 38.9 ttp180 -60.05 -41.8 93.11 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 120.735 -1.45 . . . . 0.0 109.627 -179.826 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 21' ' ' GLU . . . . . 0.429 ' OE1' ' N ' ' B' ' 21' ' ' GLU . 3.2 mp0 -100.42 165.64 11.35 Favored 'General case' 0 N--CA 1.496 1.862 0 O-C-N 121.327 -0.858 . . . . 0.0 109.486 -179.489 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . -56.34 -16.76 16.0 Favored Glycine 0 N--CA 1.489 2.2 0 N-CA-C 109.556 -1.418 . . . . 0.0 109.556 179.755 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 74.6 m-20 -85.12 104.97 15.49 Favored 'General case' 0 N--CA 1.494 1.756 0 O-C-N 121.076 -1.249 . . . . 0.0 108.77 179.772 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 8.8 ptpp? -108.37 -16.36 14.25 Favored 'General case' 0 N--CA 1.498 1.926 0 O-C-N 121.611 -0.681 . . . . 0.0 110.237 -179.616 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 25' ' ' HIS . . . . . . . . . . . . . 2.5 t60 -99.93 -7.43 25.22 Favored 'General case' 0 N--CA 1.501 2.098 0 O-C-N 121.218 -0.926 . . . . 0.0 111.45 -178.617 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 40.8 pttt -149.33 160.02 43.77 Favored 'General case' 0 N--CA 1.499 1.983 0 O-C-N 120.533 -1.354 . . . . 0.0 110.526 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 1.3 tp -106.36 135.39 47.93 Favored 'General case' 0 N--CA 1.497 1.908 0 N-CA-C 108.818 -0.808 . . . . 0.0 108.818 -179.29 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 37.5 mmtm -94.64 167.17 11.63 Favored 'General case' 0 N--CA 1.499 2.012 0 O-C-N 121.212 -0.93 . . . . 0.0 110.798 -179.179 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 35.7 mttp -61.52 -41.22 97.0 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.86 -0.525 . . . . 0.0 110.93 -178.655 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 63.2 p -67.23 -40.49 86.36 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 121.145 -0.972 . . . . 0.0 110.49 -178.476 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 41.3 tt0 -61.91 -36.47 81.41 Favored 'General case' 0 C--N 1.302 -1.459 0 O-C-N 121.092 -1.005 . . . . 0.0 109.368 -179.868 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 57.8 tp -60.01 -43.28 95.32 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.179 -0.951 . . . . 0.0 109.871 -179.432 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 24.4 ttpp -59.96 -42.14 93.42 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 120.965 -1.084 . . . . 0.0 109.224 179.528 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 34' ' ' GLU . . . . . 0.539 ' OE1' ' NH2' ' B' ' 20' ' ' ARG . 97.6 mt-10 -62.22 -39.99 94.64 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.454 -0.779 . . . . 0.0 110.624 -179.704 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 36.1 tp -60.05 -48.84 80.06 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.152 -0.967 . . . . 0.0 109.135 -178.8 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 91.5 mt -65.03 -39.9 87.22 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.549 0 O-C-N 121.169 -0.957 . . . . 0.0 109.443 179.864 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 48.2 t-20 -69.73 -22.89 63.34 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.409 -0.807 . . . . 0.0 110.774 -179.293 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 1.1 t30 -49.07 -75.6 0.03 OUTLIER 'General case' 0 N--CA 1.493 1.714 0 O-C-N 120.81 -1.181 . . . . 0.0 109.887 -179.048 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 24.7 tp10 -163.38 19.95 0.08 Allowed 'General case' 0 N--CA 1.493 1.702 0 O-C-N 120.989 -1.069 . . . . 0.0 109.365 179.845 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 87.5 mt -91.87 7.98 39.45 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.016 -1.052 . . . . 0.0 108.808 -179.895 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 41' ' ' SER . . . . . 0.429 ' O ' ' O ' ' B' ' 44' ' ' LEU . 81.8 p -60.15 -13.6 12.95 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.644 -0.66 . . . . 0.0 109.998 -179.498 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 42' ' ' HIS . . . . . . . . . . . . . 38.0 t-80 -60.0 -47.57 85.28 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.083 -1.01 . . . . 0.0 109.652 -179.693 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 86.1 m-85 -70.07 -39.93 75.34 Favored 'General case' 0 C--N 1.302 -1.464 0 O-C-N 121.285 -0.885 . . . . 0.0 109.573 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 44' ' ' LEU . . . . . 0.429 ' O ' ' O ' ' B' ' 41' ' ' SER . 53.2 mt -124.16 130.36 52.4 Favored 'General case' 0 N--CA 1.502 2.13 0 O-C-N 121.55 -0.719 . . . . 0.0 109.488 -179.748 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 56.7 tt0 -129.98 26.34 5.22 Favored 'General case' 0 N--CA 1.502 2.141 0 O-C-N 121.233 -0.917 . . . . 0.0 108.941 179.674 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 6.4 tp10 -101.46 13.04 36.21 Favored 'General case' 0 N--CA 1.5 2.068 0 O-C-N 121.245 -0.909 . . . . 0.0 110.778 -178.916 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 40.3 mm -73.88 127.96 36.01 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.815 0 O-C-N 120.628 -1.295 . . . . 0.0 109.652 -179.288 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -159.01 -60.66 0.07 Allowed 'General case' 0 N--CA 1.496 1.832 0 O-C-N 121.346 -0.846 . . . . 0.0 108.95 179.418 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -101.3 154.36 18.85 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.162 -0.961 . . . . 0.0 108.477 179.471 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 58.7 mt-30 -60.16 -28.67 68.11 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.163 -0.96 . . . . 0.0 110.479 -179.491 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 1.6 pp20? -59.33 -33.3 70.97 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.117 -0.989 . . . . 0.0 110.263 -179.142 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 54.5 t -60.0 -46.9 93.58 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.615 0 O-C-N 120.918 -1.113 . . . . 0.0 109.106 -179.652 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 53.9 t -60.19 -45.02 96.56 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.445 0 O-C-N 121.246 -0.909 . . . . 0.0 109.311 179.827 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 62.8 t0 -61.6 -46.69 88.76 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.276 -0.89 . . . . 0.0 109.965 -179.731 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 32.0 tttm -60.19 -43.0 96.26 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.207 -0.933 . . . . 0.0 108.928 179.821 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 54.6 t -69.74 -39.89 78.51 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.59 0 O-C-N 121.656 -0.652 . . . . 0.0 109.911 179.788 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 57' ' ' MET . . . . . 0.459 ' O ' HD23 ' B' ' 60' ' ' LEU . 27.2 ttt -60.1 -39.99 88.07 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.161 -0.962 . . . . 0.0 110.102 -178.54 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 87.3 tt0 -63.36 -34.84 78.59 Favored 'General case' 0 C--N 1.296 -1.726 0 O-C-N 121.183 -0.948 . . . . 0.0 109.725 -179.931 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 62.5 m -60.0 -45.31 93.17 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.177 -0.952 . . . . 0.0 111.291 -178.138 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 60' ' ' LEU . . . . . 0.459 HD23 ' O ' ' B' ' 57' ' ' MET . 0.3 OUTLIER -81.59 -8.8 59.76 Favored 'General case' 0 N--CA 1.501 2.084 0 O-C-N 120.466 -1.396 . . . . 0.0 110.339 -179.167 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 61' ' ' ASP . . . . . 0.406 ' N ' HD23 ' B' ' 60' ' ' LEU . 79.1 m-20 -76.38 118.43 19.06 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 120.856 -1.153 . . . . 0.0 109.574 -179.915 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 67.4 mm-40 -95.09 -42.24 8.7 Favored 'General case' 0 N--CA 1.495 1.778 0 O-C-N 121.293 -0.879 . . . . 0.0 110.016 -179.688 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 43.6 p-10 -102.43 1.55 35.44 Favored 'General case' 0 N--CA 1.496 1.859 0 O-C-N 121.342 -0.849 . . . . 0.0 110.171 -179.658 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 48.86 52.39 21.33 Favored Glycine 0 N--CA 1.492 2.384 0 N-CA-C 109.463 -1.455 . . . . 0.0 109.463 179.867 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 38.0 p-10 -85.46 -6.77 59.17 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.273 -1.134 . . . . 0.0 110.149 -179.236 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 88.92 -7.67 81.56 Favored Glycine 0 N--CA 1.494 2.548 0 N-CA-C 109.72 -1.352 . . . . 0.0 109.72 179.696 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 21.5 pt-20 -139.61 159.58 41.84 Favored 'General case' 0 N--CA 1.495 1.819 0 O-C-N 121.227 -1.161 . . . . 0.0 109.004 -179.871 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 68' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -113.12 112.78 24.4 Favored 'General case' 0 N--CA 1.5 2.036 0 O-C-N 121.498 -0.751 . . . . 0.0 109.799 -179.273 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 90.1 m-20 -90.03 -177.48 5.19 Favored 'General case' 0 N--CA 1.494 1.725 0 O-C-N 121.529 -0.732 . . . . 0.0 109.505 179.489 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 69.7 t80 -59.98 -40.34 88.8 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.397 -0.814 . . . . 0.0 110.58 -179.653 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 1.5 tm0? -60.04 -43.4 95.36 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 120.956 -1.09 . . . . 0.0 109.787 -179.635 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 71.8 mt-10 -65.45 -35.12 79.96 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.103 -0.998 . . . . 0.0 109.991 -179.632 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 73' ' ' PHE . . . . . . . . . . . . . 49.3 t80 -58.54 -40.01 81.78 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.062 -1.024 . . . . 0.0 109.257 -179.869 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 74' ' ' MET . . . . . . . . . . . . . 92.2 mmm -60.06 -37.91 81.27 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.154 -0.966 . . . . 0.0 108.941 179.225 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -58.51 -39.99 81.64 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.27 -0.894 . . . . 0.0 109.66 -179.513 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 69.9 t80 -60.04 -40.09 88.17 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.014 -1.054 . . . . 0.0 109.962 179.421 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 77' ' ' VAL . . . . . . . . . . . . . 57.8 t -60.02 -42.1 88.54 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.461 0 O-C-N 121.229 -0.919 . . . . 0.0 108.971 -179.667 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 78' ' ' SER . . . . . . . . . . . . . 80.6 p -61.81 -39.0 90.22 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.398 -0.814 . . . . 0.0 108.945 179.048 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 79' ' ' MET . . . . . . . . . . . . . 50.5 ttm -59.96 -40.19 88.19 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.612 -0.68 . . . . 0.0 110.393 -179.647 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 58.6 t -67.37 -41.95 86.9 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.696 0 O-C-N 121.066 -1.021 . . . . 0.0 110.324 -179.006 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 82.3 p -68.68 -42.16 78.23 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.131 -0.981 . . . . 0.0 110.63 -178.724 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 82.6 p -71.07 -40.02 71.84 Favored 'General case' 0 N--CA 1.489 1.475 0 O-C-N 121.077 -1.014 . . . . 0.0 109.814 -179.614 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -69.93 -39.99 75.8 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.38 -0.825 . . . . 0.0 110.481 -179.66 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 84' ' ' CYS . . . . . . . . . . . . . 14.9 p -67.76 146.34 53.84 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.046 -1.033 . . . . 0.0 110.489 -178.92 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 85' ' ' HIS . . . . . . . . . . . . . 76.2 m80 -81.95 162.27 22.76 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.508 -0.745 . . . . 0.0 109.91 179.855 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 86' ' ' GLU . . . . . 0.531 ' C ' ' H ' ' B' ' 88' ' ' PHE . 98.7 mt-10 -89.23 -0.24 57.3 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 121.321 -0.862 . . . . 0.0 109.248 179.689 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 87' ' ' PHE . . . . . . . . . . . . . 34.5 t80 -67.19 16.94 0.03 OUTLIER 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.303 -0.873 . . . . 0.0 110.09 -179.499 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 88' ' ' PHE . . . . . 0.531 ' H ' ' C ' ' B' ' 86' ' ' GLU . 7.3 m-85 -72.97 -4.89 35.03 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.026 -1.046 . . . . 0.0 108.994 179.664 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 89' ' ' GLU . . . . . 0.491 ' O ' ' O ' ' B' ' 88' ' ' PHE . 3.0 pt-20 -49.05 -100.17 0.0 OUTLIER 'General case' 0 N--CA 1.494 1.749 0 O-C-N 121.338 -0.851 . . . . 0.0 109.16 -179.873 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 90' ' ' HIS . . . . . . . . . . . . . 58.4 t60 -76.37 153.07 36.08 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 120.799 -1.188 . . . . 0.0 109.235 179.473 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 19.6 pt-20 . . . . . 0 N--CA 1.491 1.576 0 O-C-N 121.047 -1.033 . . . . 0.0 109.584 179.936 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 92' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 93' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 92' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 93' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 68.0 mtm . . . . . 0 N--CA 1.49 1.565 0 N-CA-C 109.199 -0.667 . . . . 0.0 109.199 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 34.0 t -104.92 19.87 19.79 Favored 'General case' 0 N--CA 1.498 1.962 0 O-C-N 121.404 -0.81 . . . . 0.0 109.437 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -60.07 -40.04 88.11 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.276 -0.89 . . . . 0.0 110.183 -179.891 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.494 HD11 HG11 ' B' ' 13' ' ' VAL . 27.7 mt -61.16 -42.29 98.3 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.021 -1.049 . . . . 0.0 109.318 179.826 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -60.08 -46.33 89.92 Favored 'General case' 0 C--N 1.303 -1.441 0 O-C-N 121.328 -0.857 . . . . 0.0 109.414 -179.432 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 64.2 tttm -64.03 -40.06 95.48 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.236 -0.915 . . . . 0.0 109.37 179.7 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -60.07 -40.99 91.44 Favored 'General case' 0 N--CA 1.488 1.459 0 O-C-N 121.233 -0.917 . . . . 0.0 110.064 -179.459 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 98.8 mtp -61.09 -40.54 94.09 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.021 -1.049 . . . . 0.0 109.022 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 53.2 t -62.66 -40.02 86.88 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.68 0 O-C-N 121.53 -0.731 . . . . 0.0 110.41 179.838 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.408 ' O ' HG23 ' A' ' 13' ' ' VAL . . . -60.0 -45.84 91.43 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.058 -1.026 . . . . 0.0 110.88 -178.347 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.408 ' CD2' ' N ' ' A' ' 10' ' ' LEU . 2.8 mm? -60.03 -44.16 94.81 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 120.682 -1.261 . . . . 0.0 109.599 -179.571 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 96.6 mt -69.94 -43.67 79.25 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.55 0 O-C-N 121.077 -1.014 . . . . 0.0 110.433 -179.503 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 95.6 m-20 -69.99 -39.94 75.6 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.041 -1.037 . . . . 0.0 110.425 -179.819 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.483 HG11 HD11 ' B' ' 3' ' ' LEU . 53.2 t -65.49 -40.34 87.89 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.411 0 O-C-N 121.001 -1.062 . . . . 0.0 109.953 -179.066 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 67.5 t80 -60.06 -48.46 81.61 Favored 'General case' 0 N--CA 1.495 1.81 0 O-C-N 120.854 -1.154 . . . . 0.0 110.625 -179.564 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 5.5 m80 -69.85 -33.1 71.83 Favored 'General case' 0 N--CA 1.497 1.888 0 O-C-N 120.9 -1.125 . . . . 0.0 109.974 -179.769 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 32.0 tt0 -59.92 -49.97 75.58 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 120.976 -1.077 . . . . 0.0 110.261 -178.992 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 36.0 m-85 -72.48 -41.47 65.97 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.146 -0.971 . . . . 0.0 110.272 -179.836 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 25.8 p -62.82 -40.2 96.66 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.073 -1.017 . . . . 0.0 110.424 -178.857 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -79.02 -3.69 88.33 Favored Glycine 0 N--CA 1.489 2.19 0 N-CA-C 109.404 -1.478 . . . . 0.0 109.404 -179.366 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.565 ' CG ' HH11 ' A' ' 20' ' ' ARG . 0.6 OUTLIER -60.07 -40.23 88.78 Favored 'General case' 0 C--N 1.303 -1.423 0 O-C-N 121.403 -1.057 . . . . 0.0 109.4 -179.839 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.426 ' O ' ' O ' ' A' ' 22' ' ' GLY . 49.1 tp10 -147.56 87.57 1.65 Allowed 'General case' 0 N--CA 1.495 1.804 0 O-C-N 121.133 -0.98 . . . . 0.0 109.409 179.505 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 22' ' ' GLY . . . . . 0.426 ' O ' ' O ' ' A' ' 21' ' ' GLU . . . 44.71 -168.17 0.02 OUTLIER Glycine 0 N--CA 1.493 2.48 0 N-CA-C 109.916 -1.274 . . . . 0.0 109.916 179.665 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 23' ' ' ASP . . . . . 0.485 ' O ' ' O ' ' A' ' 26' ' ' LYS . 79.6 m-20 50.0 42.22 24.3 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.099 -1.236 . . . . 0.0 108.815 179.859 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 22.5 pttp -65.23 -32.88 74.78 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.164 -0.96 . . . . 0.0 110.376 -179.183 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 11.7 t-160 -90.3 -6.33 55.25 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.013 -1.054 . . . . 0.0 110.744 -179.168 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.485 ' O ' ' O ' ' A' ' 23' ' ' ASP . 42.6 mttm -142.52 159.03 43.03 Favored 'General case' 0 N--CA 1.503 2.205 0 O-C-N 120.783 -1.198 . . . . 0.0 109.74 -179.526 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 83.5 mt -114.21 133.5 55.57 Favored 'General case' 0 N--CA 1.502 2.148 0 N-CA-C 108.013 -1.106 . . . . 0.0 108.013 178.525 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.476 ' HG2' ' H ' ' A' ' 29' ' ' LYS . 1.4 ttmp? -92.27 179.53 5.53 Favored 'General case' 0 N--CA 1.498 1.96 0 O-C-N 121.227 -0.92 . . . . 0.0 109.77 -178.94 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.476 ' H ' ' HG2' ' A' ' 28' ' ' LYS . 0.3 OUTLIER -59.95 -45.32 93.01 Favored 'General case' 0 N--CA 1.494 1.751 0 O-C-N 121.394 -0.817 . . . . 0.0 110.507 -178.696 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 56.0 m -60.05 -41.42 92.28 Favored 'General case' 0 N--CA 1.495 1.795 0 O-C-N 120.753 -1.217 . . . . 0.0 110.716 -178.943 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -69.94 -39.33 76.14 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.153 -0.967 . . . . 0.0 110.182 -179.579 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 53.3 tp -60.06 -49.93 75.7 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.078 -1.014 . . . . 0.0 109.862 -179.228 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 64.6 tttm -63.67 -41.23 98.21 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 120.933 -1.105 . . . . 0.0 110.308 -179.806 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 61.9 tt0 -60.81 -40.12 91.48 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.157 -0.965 . . . . 0.0 110.343 -179.051 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.529 HD13 ' O ' ' A' ' 35' ' ' LEU . 0.2 OUTLIER -59.94 -44.52 94.33 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.277 -0.89 . . . . 0.0 109.588 -178.887 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.461 ' O ' ' O ' ' A' ' 40' ' ' LEU . 3.1 mp -75.68 -31.33 22.74 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.916 0 O-C-N 120.731 -1.231 . . . . 0.0 109.858 179.409 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 20.5 t-20 -58.16 -72.3 0.09 Allowed 'General case' 0 N--CA 1.494 1.764 0 O-C-N 120.814 -1.179 . . . . 0.0 112.393 -177.768 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 4.0 p-10 -81.07 -19.76 43.02 Favored 'General case' 0 N--CA 1.498 1.948 0 O-C-N 121.315 -0.866 . . . . 0.0 113.054 -177.064 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 1.5 tm-20 -89.91 -77.36 0.4 Allowed 'General case' 0 N--CA 1.502 2.175 0 O-C-N 120.47 -1.393 . . . . 0.0 110.613 -178.022 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.461 ' O ' ' O ' ' A' ' 36' ' ' ILE . 0.7 OUTLIER -90.4 111.75 23.1 Favored 'General case' 0 N--CA 1.497 1.877 0 O-C-N 120.899 -1.126 . . . . 0.0 108.805 -179.517 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 80.8 p -145.24 18.02 1.55 Allowed 'General case' 0 N--CA 1.495 1.78 0 O-C-N 121.049 -1.032 . . . . 0.0 110.032 -179.668 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 41.8 t-80 -126.87 -19.48 4.45 Favored 'General case' 0 N--CA 1.501 2.11 0 O-C-N 121.435 -0.791 . . . . 0.0 110.652 -179.137 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 57.3 m-85 -78.5 -62.36 1.71 Allowed 'General case' 0 N--CA 1.495 1.779 0 O-C-N 120.834 -1.166 . . . . 0.0 110.903 -178.973 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -89.99 -75.34 0.46 Allowed 'General case' 0 N--CA 1.501 2.085 0 O-C-N 121.118 -0.989 . . . . 0.0 110.223 -178.843 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 52.4 tt0 64.94 20.83 12.21 Favored 'General case' 0 N--CA 1.494 1.747 0 O-C-N 121.56 -0.713 . . . . 0.0 109.209 -179.068 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 15.3 pt-20 -94.4 0.01 55.14 Favored 'General case' 0 N--CA 1.496 1.861 0 O-C-N 121.247 -0.908 . . . . 0.0 110.12 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 85.8 mt -79.47 114.21 19.94 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.763 0 O-C-N 120.939 -1.101 . . . . 0.0 109.486 -179.464 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 4.7 mmmm -106.33 -51.02 3.03 Favored 'General case' 0 N--CA 1.499 1.978 0 O-C-N 121.575 -0.703 . . . . 0.0 110.615 -179.679 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 80.4 mm-40 -111.03 156.86 20.66 Favored 'General case' 0 N--CA 1.501 2.098 0 O-C-N 121.354 -0.842 . . . . 0.0 110.582 -178.693 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 51.9 tt0 -59.97 -37.02 78.4 Favored 'General case' 0 N--CA 1.493 1.684 0 CA-C-O 121.438 0.637 . . . . 0.0 109.295 179.154 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 77.0 mm-40 -53.08 -33.75 53.5 Favored 'General case' 0 C--N 1.301 -1.543 0 O-C-N 121.456 -0.777 . . . . 0.0 109.491 -179.281 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 79.2 t -60.06 -40.02 82.03 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.518 0 O-C-N 121.103 -0.998 . . . . 0.0 109.527 -179.886 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 54.5 t -60.16 -42.21 89.37 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.66 0 O-C-N 121.063 -1.023 . . . . 0.0 109.445 179.417 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 50.1 t0 -60.12 -46.96 87.86 Favored 'General case' 0 N--CA 1.494 1.769 0 O-C-N 121.144 -0.972 . . . . 0.0 109.725 -179.748 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 2.5 ttmp? -59.97 -41.17 91.4 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.277 -0.889 . . . . 0.0 109.174 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 65.4 t -66.53 -40.37 86.22 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.475 0 O-C-N 121.304 -0.872 . . . . 0.0 109.125 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 8.9 ttt -60.31 -41.9 94.43 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.328 -0.858 . . . . 0.0 110.214 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -63.91 -39.91 95.27 Favored 'General case' 0 C--N 1.302 -1.46 0 O-C-N 121.339 -0.85 . . . . 0.0 109.719 -179.316 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 86.1 m -67.12 -46.66 73.5 Favored 'General case' 0 N--CA 1.488 1.428 0 N-CA-C 108.556 -0.905 . . . . 0.0 108.556 179.209 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 42.9 tp -61.03 -50.09 74.76 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.162 -0.961 . . . . 0.0 110.023 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 61' ' ' ASP . . . . . 0.446 ' OD1' ' N ' ' A' ' 64' ' ' GLY . 12.5 t70 -81.87 69.18 8.5 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.023 -1.048 . . . . 0.0 110.574 -179.181 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 7.1 tm-20 -70.16 -32.23 70.1 Favored 'General case' 0 N--CA 1.49 1.568 0 N-CA-C 108.434 -0.95 . . . . 0.0 108.434 178.57 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 5.0 p-10 -60.05 -37.5 80.01 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.826 -0.546 . . . . 0.0 110.315 -179.434 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 64' ' ' GLY . . . . . 0.446 ' N ' ' OD1' ' A' ' 61' ' ' ASP . . . 99.11 30.37 6.71 Favored Glycine 0 N--CA 1.502 3.06 0 N-CA-C 110.466 -1.053 . . . . 0.0 110.466 179.533 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 65' ' ' ASP . . . . . 0.451 ' O ' ' OD1' ' A' ' 65' ' ' ASP . 65.7 t0 -86.61 -19.41 29.38 Favored 'General case' 0 N--CA 1.496 1.834 0 O-C-N 120.897 -1.355 . . . . 0.0 108.951 179.277 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 71.36 -0.93 30.22 Favored Glycine 0 N--CA 1.492 2.377 0 N-CA-C 109.25 -1.54 . . . . 0.0 109.25 179.894 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 49.0 mt-10 -135.82 156.05 49.39 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 121.493 -1.004 . . . . 0.0 108.597 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 44.6 m -89.74 116.25 27.71 Favored 'General case' 0 N--CA 1.494 1.736 0 O-C-N 120.934 -1.104 . . . . 0.0 109.387 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 69' ' ' ASP . . . . . 0.536 ' OD1' ' N ' ' A' ' 70' ' ' PHE . 18.9 t0 -88.85 171.09 10.18 Favored 'General case' 0 N--CA 1.491 1.581 0 N-CA-C 108.722 -0.844 . . . . 0.0 108.722 179.869 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 70' ' ' PHE . . . . . 0.536 ' N ' ' OD1' ' A' ' 69' ' ' ASP . 41.6 t80 -60.1 -42.35 94.49 Favored 'General case' 0 C--N 1.3 -1.55 0 O-C-N 121.075 -1.016 . . . . 0.0 108.648 -179.86 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 88.7 mt-30 -60.99 -41.43 96.48 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.381 -0.825 . . . . 0.0 109.706 179.767 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 36.8 mt-10 -64.22 -38.84 92.48 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.31 -0.869 . . . . 0.0 109.287 -179.878 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 53.9 t80 -60.06 -43.98 95.03 Favored 'General case' 0 C--N 1.3 -1.578 0 O-C-N 121.506 -0.746 . . . . 0.0 109.279 -179.697 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 95.9 mmm -67.84 -39.98 83.76 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.256 -0.902 . . . . 0.0 109.886 179.901 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -59.88 -44.61 94.11 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.137 -0.977 . . . . 0.0 109.591 -179.073 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 58.6 t80 -59.87 -49.37 77.95 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.147 -0.971 . . . . 0.0 109.262 179.569 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 66.4 t -61.27 -44.43 98.39 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.476 0 O-C-N 121.245 -0.909 . . . . 0.0 109.195 -179.818 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 25.8 t -60.49 -43.42 97.01 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.299 -0.876 . . . . 0.0 109.684 -179.763 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 63.0 ttp -60.24 -40.04 88.85 Favored 'General case' 0 C--N 1.303 -1.436 0 O-C-N 121.151 -0.968 . . . . 0.0 109.917 -179.439 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 57.9 t -69.12 -44.26 81.07 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.562 0 O-C-N 121.138 -0.976 . . . . 0.0 109.872 -179.66 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 81' ' ' THR . . . . . 0.493 ' O ' ' SG ' ' A' ' 84' ' ' CYS . 27.9 m -61.32 -40.78 95.48 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.104 -0.997 . . . . 0.0 109.691 -179.608 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 35.5 p -68.3 -39.01 82.2 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.102 -0.999 . . . . 0.0 109.279 179.773 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -73.41 -22.96 60.1 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.461 -0.774 . . . . 0.0 110.716 -179.402 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 84' ' ' CYS . . . . . 0.539 ' SG ' ' O ' ' A' ' 84' ' ' CYS . 14.8 p -43.96 116.14 0.94 Allowed 'General case' 0 N--CA 1.496 1.868 0 O-C-N 121.127 -0.983 . . . . 0.0 110.598 -178.774 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 71.8 t60 -98.22 -42.19 7.54 Favored 'General case' 0 N--CA 1.497 1.89 0 O-C-N 120.996 -1.065 . . . . 0.0 109.374 179.73 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 86' ' ' GLU . . . . . 0.662 ' CD ' ' H ' ' A' ' 86' ' ' GLU . 0.8 OUTLIER -71.04 140.52 50.77 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 121.425 -0.797 . . . . 0.0 110.126 -179.67 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 96.5 m-85 -113.12 141.1 47.3 Favored 'General case' 0 N--CA 1.5 2.035 0 O-C-N 121.532 -0.73 . . . . 0.0 110.1 -179.445 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 63.8 m-85 -95.2 117.81 30.89 Favored 'General case' 0 N--CA 1.498 1.942 0 O-C-N 121.179 -0.951 . . . . 0.0 109.031 179.112 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 67.0 tt0 -128.49 22.26 6.0 Favored 'General case' 0 N--CA 1.503 2.178 0 O-C-N 121.448 -0.782 . . . . 0.0 109.43 -179.869 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 79.0 m-70 -60.0 -37.08 78.65 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 120.482 -1.386 . . . . 0.0 108.556 179.772 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 87.8 tt0 . . . . . 0 N--CA 1.49 1.542 0 CA-C-O 117.901 -1.047 . . . . 0.0 109.251 179.739 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 0' ' ' MET . . . . . . . . . . . . . 69.1 mtm . . . . . 0 N--CA 1.489 1.52 0 N-CA-C 109.559 -0.534 . . . . 0.0 109.559 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 30.2 t -105.44 19.85 19.88 Favored 'General case' 0 N--CA 1.497 1.904 0 O-C-N 121.476 -0.765 . . . . 0.0 109.393 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -59.94 -40.21 88.2 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.147 -0.971 . . . . 0.0 110.036 -179.8 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 3' ' ' LEU . . . . . 0.483 HD11 HG11 ' A' ' 13' ' ' VAL . 35.9 mt -60.65 -42.72 97.55 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 120.971 -1.081 . . . . 0.0 109.352 179.739 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 88.7 tt0 -60.02 -45.81 91.57 Favored 'General case' 0 C--N 1.303 -1.449 0 O-C-N 121.357 -0.84 . . . . 0.0 109.376 -179.43 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 63.6 tttm -64.49 -40.04 94.92 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.25 -0.906 . . . . 0.0 109.247 179.702 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -60.03 -41.4 92.15 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.432 -0.793 . . . . 0.0 109.999 -179.295 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 7' ' ' MET . . . . . . . . . . . . . 97.8 mtp -61.15 -40.47 93.96 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 120.941 -1.099 . . . . 0.0 109.006 179.829 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 47.0 t -62.76 -40.01 87.01 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.71 0 O-C-N 121.572 -0.705 . . . . 0.0 110.355 179.923 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 9' ' ' ALA . . . . . 0.43 ' O ' HG23 ' B' ' 13' ' ' VAL . . . -60.05 -45.38 93.04 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 121.009 -1.057 . . . . 0.0 110.773 -178.198 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 10' ' ' LEU . . . . . 0.4 ' N ' ' CD2' ' B' ' 10' ' ' LEU . 2.9 mm? -59.99 -44.4 94.53 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 120.883 -1.136 . . . . 0.0 109.8 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 96.6 mt -69.96 -43.58 79.28 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.581 0 O-C-N 121.103 -0.998 . . . . 0.0 110.343 -179.519 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 95.9 m-20 -70.04 -39.95 75.44 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.079 -1.013 . . . . 0.0 110.432 -179.73 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 13' ' ' VAL . . . . . 0.494 HG11 HD11 ' A' ' 3' ' ' LEU . 54.3 t -65.47 -40.58 88.69 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.523 0 O-C-N 121.106 -0.996 . . . . 0.0 109.998 -179.032 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 14' ' ' PHE . . . . . . . . . . . . . 68.1 t80 -59.94 -48.53 81.33 Favored 'General case' 0 N--CA 1.495 1.807 0 O-C-N 120.95 -1.094 . . . . 0.0 110.602 -179.361 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 5.7 m80 -69.87 -32.94 71.57 Favored 'General case' 0 N--CA 1.496 1.872 0 O-C-N 120.959 -1.088 . . . . 0.0 110.063 -179.898 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 24.7 tt0 -59.98 -49.65 76.82 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.034 -1.041 . . . . 0.0 110.215 -178.971 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 36.7 m-85 -73.05 -41.34 64.27 Favored 'General case' 0 N--CA 1.494 1.748 0 O-C-N 121.191 -0.943 . . . . 0.0 110.274 -179.782 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 26.6 p -62.22 -40.67 96.91 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.216 -0.927 . . . . 0.0 110.176 -179.119 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -78.53 -4.14 87.16 Favored Glycine 0 N--CA 1.49 2.289 0 N-CA-C 109.473 -1.451 . . . . 0.0 109.473 -179.342 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 20' ' ' ARG . . . . . 0.534 ' CG ' HH11 ' B' ' 20' ' ' ARG . 0.9 OUTLIER -60.03 -40.26 88.73 Favored 'General case' 0 C--N 1.302 -1.478 0 O-C-N 121.347 -1.09 . . . . 0.0 109.496 -179.808 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 21' ' ' GLU . . . . . 0.422 ' O ' ' O ' ' B' ' 22' ' ' GLY . 49.2 tp10 -147.87 87.32 1.61 Allowed 'General case' 0 N--CA 1.495 1.803 0 O-C-N 121.151 -0.968 . . . . 0.0 109.459 179.703 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 22' ' ' GLY . . . . . 0.422 ' O ' ' O ' ' B' ' 21' ' ' GLU . . . 45.31 -168.49 0.03 OUTLIER Glycine 0 N--CA 1.492 2.429 0 N-CA-C 109.863 -1.295 . . . . 0.0 109.863 179.588 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 23' ' ' ASP . . . . . 0.484 ' O ' ' O ' ' B' ' 26' ' ' LYS . 80.3 m-20 50.17 42.43 25.25 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.095 -1.238 . . . . 0.0 108.866 179.812 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 22.3 pttp -65.2 -33.17 75.36 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.081 -1.012 . . . . 0.0 110.382 -179.202 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 25' ' ' HIS . . . . . . . . . . . . . 11.8 t-160 -90.23 -5.96 55.77 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.153 -0.967 . . . . 0.0 110.81 -179.122 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 26' ' ' LYS . . . . . 0.484 ' O ' ' O ' ' B' ' 23' ' ' ASP . 41.8 mttm -142.75 159.13 42.84 Favored 'General case' 0 N--CA 1.502 2.137 0 O-C-N 120.735 -1.228 . . . . 0.0 109.804 -179.538 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 81.5 mt -114.49 133.67 55.59 Favored 'General case' 0 N--CA 1.502 2.134 0 N-CA-C 107.895 -1.15 . . . . 0.0 107.895 178.508 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 28' ' ' LYS . . . . . 0.508 ' HG2' ' H ' ' B' ' 29' ' ' LYS . 1.5 ttmp? -92.71 179.36 5.51 Favored 'General case' 0 N--CA 1.495 1.822 0 O-C-N 121.157 -0.965 . . . . 0.0 109.803 -179.044 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 29' ' ' LYS . . . . . 0.508 ' H ' ' HG2' ' B' ' 28' ' ' LYS . 0.3 OUTLIER -59.8 -45.75 91.34 Favored 'General case' 0 N--CA 1.495 1.78 0 O-C-N 121.49 -0.756 . . . . 0.0 110.642 -178.676 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 57.9 m -60.14 -41.08 91.94 Favored 'General case' 0 N--CA 1.495 1.794 0 O-C-N 120.652 -1.28 . . . . 0.0 110.564 -178.866 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -69.87 -39.45 76.32 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.123 -0.986 . . . . 0.0 109.996 -179.416 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 43.2 tp -60.02 -49.88 75.94 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.171 -0.956 . . . . 0.0 110.024 -179.157 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 65.8 tttm -63.9 -40.45 96.54 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.008 -1.057 . . . . 0.0 110.239 -179.624 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 62.0 tt0 -61.41 -39.92 92.53 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.149 -0.969 . . . . 0.0 110.323 -179.176 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 35' ' ' LEU . . . . . 0.514 ' O ' HD13 ' B' ' 35' ' ' LEU . 0.3 OUTLIER -60.05 -43.96 95.02 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.277 -0.89 . . . . 0.0 109.549 -178.94 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 36' ' ' ILE . . . . . 0.463 ' O ' ' O ' ' B' ' 40' ' ' LEU . 3.5 mp -76.32 -30.87 20.23 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.866 0 O-C-N 120.807 -1.183 . . . . 0.0 109.944 179.439 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 21.5 t-20 -58.62 -72.05 0.1 Allowed 'General case' 0 N--CA 1.493 1.698 0 O-C-N 120.888 -1.132 . . . . 0.0 112.172 -177.837 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 3.9 p-10 -81.31 -19.75 42.24 Favored 'General case' 0 N--CA 1.498 1.958 0 O-C-N 121.301 -0.874 . . . . 0.0 113.18 -176.978 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 1.5 tm-20 -89.69 -77.39 0.39 Allowed 'General case' 0 N--CA 1.502 2.173 0 O-C-N 120.401 -1.437 . . . . 0.0 110.487 -178.093 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 40' ' ' LEU . . . . . 0.463 ' O ' ' O ' ' B' ' 36' ' ' ILE . 0.7 OUTLIER -90.14 112.45 23.94 Favored 'General case' 0 N--CA 1.498 1.944 0 O-C-N 120.875 -1.141 . . . . 0.0 108.714 -179.758 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 87.9 p -145.78 17.82 1.45 Allowed 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.071 -1.018 . . . . 0.0 109.946 -179.823 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 42' ' ' HIS . . . . . . . . . . . . . 43.3 t-80 -126.9 -19.66 4.39 Favored 'General case' 0 N--CA 1.5 2.052 0 O-C-N 121.388 -0.82 . . . . 0.0 110.643 -179.173 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 57.3 m-85 -78.16 -62.46 1.67 Allowed 'General case' 0 N--CA 1.496 1.872 0 O-C-N 120.897 -1.127 . . . . 0.0 110.969 -178.953 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -90.31 -74.61 0.48 Allowed 'General case' 0 N--CA 1.498 1.949 0 O-C-N 120.942 -1.099 . . . . 0.0 110.245 -178.774 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 51.9 tt0 64.81 20.4 12.11 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.535 -0.728 . . . . 0.0 109.273 -179.196 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 15.4 pt-20 -93.59 -0.23 56.29 Favored 'General case' 0 N--CA 1.497 1.89 0 O-C-N 121.147 -0.971 . . . . 0.0 110.268 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 87.6 mt -78.89 114.11 19.15 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.802 0 O-C-N 120.968 -1.082 . . . . 0.0 109.561 -179.334 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 4.7 mmmm -106.08 -51.57 2.95 Favored 'General case' 0 N--CA 1.498 1.973 0 O-C-N 121.414 -0.804 . . . . 0.0 110.478 -179.739 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 79.2 mm-40 -110.71 156.77 20.55 Favored 'General case' 0 N--CA 1.5 2.071 0 O-C-N 121.39 -0.819 . . . . 0.0 110.807 -178.573 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 53.0 tt0 -60.06 -36.91 78.37 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.657 -0.652 . . . . 0.0 109.413 179.138 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 76.5 mm-40 -53.24 -33.53 53.37 Favored 'General case' 0 C--N 1.301 -1.507 0 O-C-N 121.338 -0.851 . . . . 0.0 109.244 -179.342 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 72.7 t -60.05 -40.01 81.99 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.475 0 O-C-N 121.083 -1.011 . . . . 0.0 109.376 -179.833 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 45.6 t -60.11 -42.25 89.36 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.744 0 O-C-N 121.063 -1.023 . . . . 0.0 109.46 179.435 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 50.7 t0 -60.06 -47.21 86.82 Favored 'General case' 0 N--CA 1.495 1.786 0 O-C-N 121.097 -1.002 . . . . 0.0 109.705 -179.809 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 2.5 ttmp? -59.97 -41.11 91.22 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.19 -0.944 . . . . 0.0 109.132 -179.683 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 53.8 t -66.57 -40.12 85.54 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.447 0 O-C-N 121.374 -0.829 . . . . 0.0 108.954 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 57' ' ' MET . . . . . . . . . . . . . 8.2 ttt -60.98 -41.62 96.77 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.261 -0.899 . . . . 0.0 110.261 -179.881 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -64.02 -40.18 95.75 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.206 -0.934 . . . . 0.0 109.567 -179.515 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 93.8 m -66.32 -47.3 74.0 Favored 'General case' 0 N--CA 1.488 1.43 0 O-C-N 121.217 -0.927 . . . . 0.0 108.57 178.888 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 53.6 tp -60.68 -50.04 75.09 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.196 -0.94 . . . . 0.0 110.107 -179.838 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 61' ' ' ASP . . . . . 0.433 ' OD1' ' N ' ' B' ' 64' ' ' GLY . 12.8 t70 -81.86 68.98 8.45 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.121 -0.987 . . . . 0.0 110.625 -179.022 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 7.0 tm-20 -70.17 -32.18 70.02 Favored 'General case' 0 N--CA 1.488 1.464 0 N-CA-C 108.357 -0.979 . . . . 0.0 108.357 178.49 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 5.2 p-10 -59.93 -37.61 79.99 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.908 -0.495 . . . . 0.0 110.396 -179.453 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 64' ' ' GLY . . . . . 0.433 ' N ' ' OD1' ' B' ' 61' ' ' ASP . . . 99.74 28.84 7.23 Favored Glycine 0 N--CA 1.501 2.982 0 O-C-N 121.087 -1.008 . . . . 0.0 110.714 179.466 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 65' ' ' ASP . . . . . 0.46 ' OD1' ' O ' ' B' ' 65' ' ' ASP . 65.6 t0 -85.59 -19.93 30.3 Favored 'General case' 0 N--CA 1.496 1.845 0 O-C-N 120.888 -1.36 . . . . 0.0 109.216 179.38 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 72.02 -1.01 34.93 Favored Glycine 0 N--CA 1.492 2.427 0 N-CA-C 109.25 -1.54 . . . . 0.0 109.25 179.765 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 49.5 mt-10 -135.9 155.91 49.57 Favored 'General case' 0 N--CA 1.495 1.783 0 O-C-N 121.607 -0.937 . . . . 0.0 108.619 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 68' ' ' CYS . . . . . . . . . . . . . 36.2 m -89.7 116.62 27.96 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 120.86 -1.15 . . . . 0.0 109.316 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 69' ' ' ASP . . . . . 0.547 ' OD1' ' N ' ' B' ' 70' ' ' PHE . 18.7 t0 -89.05 171.03 10.14 Favored 'General case' 0 N--CA 1.494 1.727 0 N-CA-C 108.63 -0.878 . . . . 0.0 108.63 179.893 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 70' ' ' PHE . . . . . 0.547 ' N ' ' OD1' ' B' ' 69' ' ' ASP . 41.7 t80 -60.02 -42.15 93.7 Favored 'General case' 0 C--N 1.3 -1.558 0 O-C-N 121.083 -1.01 . . . . 0.0 108.633 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 87.9 mt-30 -61.49 -41.21 96.93 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.393 -0.817 . . . . 0.0 109.661 179.886 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 35.8 mt-10 -63.96 -38.83 92.5 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.348 -0.845 . . . . 0.0 109.298 179.926 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 73' ' ' PHE . . . . . . . . . . . . . 58.0 t80 -60.02 -44.11 94.82 Favored 'General case' 0 C--N 1.301 -1.526 0 O-C-N 121.536 -0.728 . . . . 0.0 109.211 -179.652 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 74' ' ' MET . . . . . . . . . . . . . 94.2 mmm -67.77 -39.92 84.07 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.305 -0.872 . . . . 0.0 109.952 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -59.96 -44.85 94.17 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.132 -0.98 . . . . 0.0 109.699 -179.082 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 58.8 t80 -60.07 -48.52 81.36 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.157 -0.964 . . . . 0.0 109.259 179.83 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 77' ' ' VAL . . . . . . . . . . . . . 53.2 t -61.61 -44.71 99.1 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.491 0 O-C-N 121.293 -0.88 . . . . 0.0 109.104 179.928 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 78' ' ' SER . . . . . . . . . . . . . 22.8 t -60.36 -43.5 96.45 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.33 -0.856 . . . . 0.0 109.753 -179.827 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 79' ' ' MET . . . . . . . . . . . . . 63.3 ttp -60.05 -40.21 88.66 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.235 -0.916 . . . . 0.0 109.963 -179.567 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 76.7 t -69.04 -44.24 81.31 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.567 0 O-C-N 121.146 -0.971 . . . . 0.0 109.771 -179.577 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 81' ' ' THR . . . . . 0.469 ' O ' ' SG ' ' B' ' 84' ' ' CYS . 29.0 m -61.4 -41.05 96.52 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.1 -1.0 . . . . 0.0 109.486 -179.299 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 33.4 p -67.72 -39.74 84.29 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 121.043 -1.036 . . . . 0.0 109.354 179.828 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -73.16 -22.41 60.5 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.451 -0.781 . . . . 0.0 110.803 -179.338 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 84' ' ' CYS . . . . . 0.538 ' SG ' ' O ' ' B' ' 84' ' ' CYS . 14.3 p -44.17 115.91 0.92 Allowed 'General case' 0 N--CA 1.494 1.732 0 O-C-N 121.113 -0.992 . . . . 0.0 110.487 -178.904 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 85' ' ' HIS . . . . . . . . . . . . . 72.9 t60 -98.3 -41.92 7.63 Favored 'General case' 0 N--CA 1.498 1.927 0 O-C-N 120.924 -1.11 . . . . 0.0 109.433 179.819 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 86' ' ' GLU . . . . . 0.665 ' CD ' ' H ' ' B' ' 86' ' ' GLU . 0.8 OUTLIER -71.45 140.1 49.9 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 121.31 -0.869 . . . . 0.0 110.168 -179.542 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 87' ' ' PHE . . . . . . . . . . . . . 96.8 m-85 -112.56 142.05 45.59 Favored 'General case' 0 N--CA 1.5 2.055 0 O-C-N 121.451 -0.781 . . . . 0.0 110.18 -179.516 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 61.7 m-85 -95.7 117.77 31.13 Favored 'General case' 0 N--CA 1.496 1.872 0 O-C-N 121.241 -0.912 . . . . 0.0 108.955 179.113 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 68.1 tt0 -128.53 21.88 6.01 Favored 'General case' 0 N--CA 1.5 2.058 0 O-C-N 121.359 -0.838 . . . . 0.0 109.411 -179.78 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 90' ' ' HIS . . . . . . . . . . . . . 77.7 m-70 -59.95 -36.16 76.5 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 120.357 -1.465 . . . . 0.0 108.885 179.609 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 87.3 tt0 . . . . . 0 N--CA 1.491 1.591 0 CA-C-O 117.935 -1.031 . . . . 0.0 109.051 179.578 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 92' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 93' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 92' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 93' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 0' ' ' MET . . . . . 0.509 ' SD ' ' O ' ' A' ' 0' ' ' MET . 0.6 OUTLIER . . . . . 0 N--CA 1.491 1.581 0 CA-C-O 121.275 0.56 . . . . 0.0 109.511 . . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 42.8 t -72.45 121.22 19.22 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.046 -1.034 . . . . 0.0 109.427 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 99.7 mt-10 -70.01 -31.65 69.42 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.27 -0.894 . . . . 0.0 110.254 -179.818 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.537 HD23 ' C ' ' A' ' 3' ' ' LEU . 9.1 tt -59.9 -49.32 78.17 Favored 'General case' 0 N--CA 1.494 1.725 0 O-C-N 121.114 -0.992 . . . . 0.0 110.587 -178.309 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 1.1 pp20? -61.18 -39.94 92.05 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 120.617 -1.302 . . . . 0.0 109.903 -179.466 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 86.8 tttt -66.33 -40.42 89.86 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 120.92 -1.113 . . . . 0.0 108.831 179.558 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -61.69 -40.38 94.78 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.623 -0.673 . . . . 0.0 110.104 -179.62 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 27.1 ttt -60.06 -40.0 87.94 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.182 -0.949 . . . . 0.0 109.448 -179.61 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 67.5 t -60.48 -39.77 82.21 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.572 0 O-C-N 121.462 -0.774 . . . . 0.0 109.597 179.712 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.89 -40.73 89.73 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.226 -0.921 . . . . 0.0 110.932 -178.179 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.401 HD22 ' N ' ' A' ' 10' ' ' LEU . 4.0 mm? -60.07 -49.98 75.51 Favored 'General case' 0 N--CA 1.495 1.784 0 O-C-N 120.68 -1.263 . . . . 0.0 109.758 -179.83 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 98.2 mt -60.16 -47.79 90.64 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.578 0 O-C-N 121.016 -1.053 . . . . 0.0 109.694 -179.647 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 10.3 t70 -61.83 -47.72 83.83 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.19 -0.944 . . . . 0.0 110.266 -179.481 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 54.2 t -67.42 -43.64 87.48 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.678 0 O-C-N 121.077 -1.015 . . . . 0.0 109.964 -179.27 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 64.3 t80 -60.0 -45.58 92.29 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.036 -1.04 . . . . 0.0 110.037 -179.443 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' HIS . . . . . 0.402 ' NE2' ' O ' ' B' ' 89' ' ' GLU . 4.1 t-80 -61.36 -40.06 92.9 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.249 -0.907 . . . . 0.0 110.627 -178.874 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 65.6 mt-30 -63.7 -58.47 6.79 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 120.942 -1.099 . . . . 0.0 110.601 -178.907 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 50.0 m-85 -64.7 -39.98 94.58 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.085 -1.009 . . . . 0.0 110.281 -179.506 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 57.6 p -66.06 -33.58 76.12 Favored 'General case' 0 C--N 1.297 -1.693 0 O-C-N 121.052 -1.03 . . . . 0.0 109.061 179.835 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -80.57 -15.33 78.29 Favored Glycine 0 N--CA 1.494 2.504 0 C-N-CA 120.121 -1.038 . . . . 0.0 110.541 -179.921 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 23.5 mmt180 -60.01 -40.03 87.86 Favored 'General case' 0 N--CA 1.496 1.874 0 O-C-N 120.883 -1.363 . . . . 0.0 110.557 -179.761 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 13.4 pt-20 -154.46 167.95 28.33 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 120.923 -1.111 . . . . 0.0 110.369 -179.1 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 100.92 175.81 29.3 Favored Glycine 0 N--CA 1.495 2.576 0 N-CA-C 108.867 -1.693 . . . . 0.0 108.867 -179.666 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 57.0 t0 -58.29 -58.06 10.17 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.023 -1.281 . . . . 0.0 109.01 -179.74 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 42.2 mtpt -153.47 -37.94 0.1 Allowed 'General case' 0 N--CA 1.493 1.718 0 O-C-N 121.315 -0.866 . . . . 0.0 110.014 178.789 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -159.8 75.4 0.62 Allowed 'General case' 0 N--CA 1.488 1.426 0 O-C-N 120.715 -1.24 . . . . 0.0 111.935 -178.677 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 57.9 pttt -144.36 158.67 43.62 Favored 'General case' 0 N--CA 1.498 1.956 0 O-C-N 121.107 -0.996 . . . . 0.0 108.406 177.712 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 89.3 mt -107.97 127.74 54.03 Favored 'General case' 0 N--CA 1.5 2.044 0 O-C-N 121.305 -0.872 . . . . 0.0 110.596 -178.796 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 54.6 tttp -105.23 165.54 11.04 Favored 'General case' 0 N--CA 1.496 1.826 0 N-CA-C 108.165 -1.05 . . . . 0.0 108.165 179.267 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 7.9 ttpm? -60.06 -43.33 95.47 Favored 'General case' 0 N--CA 1.495 1.797 0 O-C-N 120.836 -1.165 . . . . 0.0 110.571 -178.56 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' SER . . . . . 0.429 ' O ' ' OE1' ' A' ' 34' ' ' GLU . 88.6 p -60.59 -40.39 91.6 Favored 'General case' 0 N--CA 1.495 1.82 0 O-C-N 120.922 -1.111 . . . . 0.0 109.865 -179.742 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 86.4 tt0 -59.99 -37.64 80.25 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.394 -0.816 . . . . 0.0 109.996 -179.897 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 96.0 mt -60.0 -39.94 87.5 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.28 -0.888 . . . . 0.0 111.055 -178.242 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 7.3 ttpm? -60.06 -49.64 76.85 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 120.531 -1.355 . . . . 0.0 110.046 -178.978 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' GLU . . . . . 0.481 ' N ' ' OE1' ' A' ' 34' ' ' GLU . 21.7 mp0 -69.93 -40.27 75.62 Favored 'General case' 0 N--CA 1.495 1.803 0 O-C-N 120.945 -1.097 . . . . 0.0 110.11 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.455 ' O ' ' OD1' ' A' ' 38' ' ' ASN . 7.4 tt -61.72 -41.05 97.11 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.34 -0.85 . . . . 0.0 110.145 -179.628 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 86.4 mt -69.55 -39.98 79.08 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.57 0 O-C-N 121.033 -1.042 . . . . 0.0 110.658 -178.782 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 25.7 m-20 -60.06 -40.03 88.05 Favored 'General case' 0 N--CA 1.495 1.8 0 O-C-N 121.008 -1.057 . . . . 0.0 112.191 -178.158 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' ASN . . . . . 0.455 ' OD1' ' O ' ' A' ' 35' ' ' LEU . 7.6 p-10 -71.22 -40.07 71.33 Favored 'General case' 0 N--CA 1.496 1.847 0 O-C-N 120.447 -1.408 . . . . 0.0 111.878 -178.126 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -91.91 -79.69 0.37 Allowed 'General case' 0 N--CA 1.505 2.286 0 O-C-N 120.599 -1.313 . . . . 0.0 110.924 -178.899 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.5 ' N ' HD12 ' A' ' 40' ' ' LEU . 11.1 mp -72.53 138.58 47.03 Favored 'General case' 0 N--CA 1.496 1.87 0 O-C-N 120.969 -1.082 . . . . 0.0 110.466 -178.515 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 24.6 p -148.2 -54.16 0.2 Allowed 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.579 -0.701 . . . . 0.0 109.535 179.564 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 39.3 m80 -90.62 -12.88 35.6 Favored 'General case' 0 N--CA 1.497 1.909 0 O-C-N 121.109 -0.995 . . . . 0.0 110.445 -179.734 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 59.3 m-85 -59.96 -40.01 87.61 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 120.751 -1.218 . . . . 0.0 108.886 -179.556 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.852 ' N ' HD13 ' A' ' 44' ' ' LEU . 0.0 OUTLIER -108.17 163.95 12.73 Favored 'General case' 0 N--CA 1.5 2.046 0 N-CA-C 107.452 -1.314 . . . . 0.0 107.452 177.764 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 56.5 mp0 -55.22 -61.83 2.07 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 120.447 -1.408 . . . . 0.0 109.466 -178.496 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 81.4 tt0 -179.31 142.7 0.19 Allowed 'General case' 0 N--CA 1.496 1.836 0 N-CA-C 109.088 -0.708 . . . . 0.0 109.088 179.235 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 42.2 mm -84.54 120.09 34.61 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.769 0 O-C-N 121.101 -0.999 . . . . 0.0 108.84 179.562 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 31.1 tttm -161.53 -23.22 0.05 Allowed 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.12 -0.988 . . . . 0.0 109.919 179.763 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.526 ' OE1' ' N ' ' A' ' 49' ' ' GLU . 56.6 mp0 -101.83 139.98 36.74 Favored 'General case' 0 N--CA 1.497 1.903 0 O-C-N 121.25 -0.906 . . . . 0.0 109.255 179.852 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 26.5 mm100 -68.64 -33.6 74.29 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.413 -0.805 . . . . 0.0 109.568 -179.828 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 0.41 ' OE1' ' N ' ' A' ' 51' ' ' GLU . 59.4 mp0 -60.03 -39.92 87.57 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.31 -0.869 . . . . 0.0 110.335 -179.145 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 71.7 t -60.04 -40.68 83.9 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.616 0 O-C-N 121.085 -1.009 . . . . 0.0 109.634 -178.872 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 54.6 t -69.78 -41.9 79.97 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.505 0 O-C-N 121.109 -0.994 . . . . 0.0 109.546 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 55.5 t0 -59.92 -44.46 94.29 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.289 -0.882 . . . . 0.0 109.637 -179.66 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 63.0 tttp -60.01 -47.49 85.63 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.438 -0.789 . . . . 0.0 110.229 -179.468 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 56.1 t -68.31 -40.52 82.63 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.617 0 O-C-N 121.169 -0.957 . . . . 0.0 109.578 -179.354 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 57' ' ' MET . . . . . 0.458 ' SD ' ' O ' ' A' ' 57' ' ' MET . 0.0 OUTLIER -66.74 -45.06 79.83 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.368 -0.832 . . . . 0.0 110.007 -179.277 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 7.0 tm-20 -66.77 -45.18 79.35 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.317 -0.864 . . . . 0.0 110.788 -179.04 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 94.2 m -65.62 -40.01 92.13 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.043 -1.036 . . . . 0.0 110.215 -179.123 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.48 ' O ' HD23 ' A' ' 60' ' ' LEU . 4.5 tt -64.35 -47.74 78.18 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.175 -0.953 . . . . 0.0 109.46 -179.534 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 61' ' ' ASP . . . . . 0.529 ' OD2' ' N ' ' A' ' 65' ' ' ASP . 32.1 t0 -76.88 95.79 4.17 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.023 -1.048 . . . . 0.0 109.005 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 90.6 mt-10 -68.73 -39.99 80.11 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.336 -0.853 . . . . 0.0 110.366 -179.112 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 63' ' ' ASP . . . . . 0.451 ' OD2' ' OD2' ' A' ' 65' ' ' ASP . 31.6 p30 -93.48 1.17 56.89 Favored 'General case' 0 N--CA 1.494 1.768 0 O-C-N 121.106 -0.996 . . . . 0.0 110.25 -179.379 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 61.3 45.77 95.8 Favored Glycine 0 N--CA 1.492 2.387 0 N-CA-C 109.971 -1.252 . . . . 0.0 109.971 179.385 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 65' ' ' ASP . . . . . 0.529 ' N ' ' OD2' ' A' ' 61' ' ' ASP . 95.2 m-20 -69.82 -18.82 63.48 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.109 -1.23 . . . . 0.0 109.34 179.776 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 88.01 -9.92 72.71 Favored Glycine 0 N--CA 1.491 2.32 0 N-CA-C 108.421 -1.872 . . . . 0.0 108.421 -179.544 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 13.7 pt-20 -144.52 154.26 42.71 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.63 -0.923 . . . . 0.0 109.324 -179.809 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -112.57 129.35 56.4 Favored 'General case' 0 N--CA 1.502 2.148 0 N-CA-C 108.886 -0.783 . . . . 0.0 108.886 179.794 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 69' ' ' ASP . . . . . 0.517 ' OD1' ' N ' ' A' ' 70' ' ' PHE . 16.3 t70 -90.8 -177.77 5.06 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.296 -0.877 . . . . 0.0 110.056 -179.723 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 70' ' ' PHE . . . . . 0.517 ' N ' ' OD1' ' A' ' 69' ' ' ASP . 27.3 t80 -60.0 -41.37 91.96 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.369 -0.832 . . . . 0.0 109.386 -179.702 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 67.9 tp60 -59.91 -43.24 94.97 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.227 -0.92 . . . . 0.0 109.328 -179.728 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 79.3 mt-10 -69.99 -29.73 66.9 Favored 'General case' 0 C--N 1.303 -1.422 0 O-C-N 121.256 -0.903 . . . . 0.0 109.506 179.896 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 77.2 t80 -59.98 -43.69 94.96 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 120.781 -1.199 . . . . 0.0 109.142 179.225 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 97.3 mmm -60.33 -36.28 77.58 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.262 -0.898 . . . . 0.0 108.909 179.26 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -60.04 -36.39 77.19 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.251 -0.906 . . . . 0.0 109.872 -179.813 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -58.59 -50.92 72.06 Favored 'General case' 0 N--CA 1.491 1.621 0 N-CA-C 108.178 -1.045 . . . . 0.0 108.178 -179.817 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 60.9 t -66.58 -42.61 90.2 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.574 0 O-C-N 121.312 -0.868 . . . . 0.0 110.416 -179.572 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 60.6 p -60.83 -46.19 91.5 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.089 -1.007 . . . . 0.0 110.613 -178.882 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 8.9 ttm -60.21 -49.99 75.43 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 120.984 -1.072 . . . . 0.0 109.99 -179.783 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 79.6 t -67.68 -39.77 82.76 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.49 0 O-C-N 121.573 -0.704 . . . . 0.0 109.801 -179.323 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 81' ' ' THR . . . . . 0.499 ' O ' ' SG ' ' A' ' 84' ' ' CYS . 94.4 m -60.13 -40.3 89.28 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.069 -1.02 . . . . 0.0 110.111 -178.363 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 25.5 p -69.72 -38.79 77.03 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 120.869 -1.144 . . . . 0.0 109.286 179.65 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -79.29 -10.65 59.86 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.39 -0.819 . . . . 0.0 109.948 -179.829 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 84' ' ' CYS . . . . . 0.502 ' SG ' ' O ' ' A' ' 84' ' ' CYS . 12.0 p -55.21 125.97 22.88 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.04 -1.037 . . . . 0.0 109.524 -179.558 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 85' ' ' HIS . . . . . 0.454 ' O ' ' CE1' ' A' ' 87' ' ' PHE . 0.0 OUTLIER -106.87 19.86 19.86 Favored 'General case' 0 N--CA 1.498 1.97 0 O-C-N 121.519 -0.738 . . . . 0.0 109.674 -179.802 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 63.7 mm-40 -56.8 134.5 55.18 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.073 -1.017 . . . . 0.0 109.766 -179.386 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 87' ' ' PHE . . . . . 0.454 ' CE1' ' O ' ' A' ' 85' ' ' HIS . 1.9 m-85 -100.9 108.37 20.12 Favored 'General case' 0 N--CA 1.496 1.855 0 O-C-N 121.408 -0.808 . . . . 0.0 109.596 -179.853 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 23.2 m-85 -109.97 -89.93 0.48 Allowed 'General case' 0 N--CA 1.498 1.958 0 N-CA-C 108.152 -1.055 . . . . 0.0 108.152 179.036 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 67.8 mm-40 -95.76 103.84 15.74 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.121 -0.987 . . . . 0.0 109.18 179.633 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 16.5 p-80 -70.56 -20.2 62.81 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.386 -0.821 . . . . 0.0 109.605 179.821 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 . . . . . 0 N--CA 1.496 1.832 0 CA-C-O 117.993 -1.003 . . . . 0.0 109.645 -179.878 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 0' ' ' MET . . . . . 0.506 ' SD ' ' O ' ' B' ' 0' ' ' MET . 0.6 OUTLIER . . . . . 0 N--CA 1.488 1.47 0 CA-C-O 121.2 0.524 . . . . 0.0 109.595 . . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 45.2 t -72.57 121.23 19.35 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.006 -1.059 . . . . 0.0 109.261 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 99.6 mt-10 -70.0 -31.85 69.73 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.302 -0.874 . . . . 0.0 110.225 -179.846 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 3' ' ' LEU . . . . . 0.519 ' C ' HD23 ' B' ' 3' ' ' LEU . 9.3 tt -59.96 -49.36 77.98 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.208 -0.932 . . . . 0.0 110.584 -178.252 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 1.1 pp20? -61.09 -40.0 92.06 Favored 'General case' 0 N--CA 1.494 1.755 0 O-C-N 120.647 -1.283 . . . . 0.0 109.871 -179.408 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 87.2 tttt -66.3 -40.34 89.93 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 120.978 -1.077 . . . . 0.0 108.963 179.639 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -61.69 -40.7 95.92 Favored 'General case' 0 N--CA 1.488 1.438 0 O-C-N 121.515 -0.74 . . . . 0.0 110.114 -179.637 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 7' ' ' MET . . . . . . . . . . . . . 27.9 ttt -60.01 -39.99 87.71 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.239 -0.913 . . . . 0.0 109.502 -179.54 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 64.6 t -60.23 -39.89 82.05 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.583 0 O-C-N 121.361 -0.837 . . . . 0.0 109.594 179.459 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.59 -40.88 88.92 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.248 -0.908 . . . . 0.0 111.007 -178.227 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 10' ' ' LEU . . . . . 0.423 ' N ' HD22 ' B' ' 10' ' ' LEU . 4.1 mm? -60.04 -50.0 75.44 Favored 'General case' 0 N--CA 1.495 1.813 0 O-C-N 120.676 -1.265 . . . . 0.0 109.714 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 96.8 mt -60.12 -47.94 89.99 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.533 0 O-C-N 120.97 -1.081 . . . . 0.0 109.782 -179.647 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 10.6 t70 -61.5 -48.34 81.51 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.182 -0.949 . . . . 0.0 110.178 -179.643 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 54.6 t -66.87 -43.77 89.33 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.65 0 O-C-N 120.957 -1.089 . . . . 0.0 110.038 -179.356 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 14' ' ' PHE . . . . . . . . . . . . . 65.0 t80 -59.98 -45.68 91.91 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.048 -1.032 . . . . 0.0 110.033 -179.343 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 3.9 t-80 -61.19 -39.93 92.02 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.203 -0.936 . . . . 0.0 110.722 -178.958 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 65.9 mt-30 -63.87 -58.9 5.37 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 120.917 -1.114 . . . . 0.0 110.576 -178.908 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 49.6 m-85 -64.24 -40.0 95.12 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.02 -1.05 . . . . 0.0 110.263 -179.603 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 60.7 p -65.67 -34.15 77.55 Favored 'General case' 0 C--N 1.298 -1.64 0 O-C-N 121.021 -1.049 . . . . 0.0 109.138 179.845 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -80.7 -14.82 79.16 Favored Glycine 0 N--CA 1.494 2.508 0 C-N-CA 120.096 -1.049 . . . . 0.0 110.535 -179.75 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 23.5 mmt180 -60.08 -39.9 87.7 Favored 'General case' 0 N--CA 1.497 1.888 0 O-C-N 120.836 -1.39 . . . . 0.0 110.486 -179.827 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 13.9 pt-20 -154.35 168.17 27.53 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 120.991 -1.068 . . . . 0.0 110.172 -179.168 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . 101.18 176.19 28.98 Favored Glycine 0 N--CA 1.496 2.677 0 N-CA-C 108.862 -1.695 . . . . 0.0 108.862 -179.683 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 58.0 t0 -59.68 -56.36 22.78 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 120.995 -1.297 . . . . 0.0 108.989 -179.62 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 41.7 mtpt -154.24 -38.82 0.09 Allowed 'General case' 0 N--CA 1.494 1.766 0 O-C-N 121.199 -0.938 . . . . 0.0 110.019 178.734 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 25' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -159.41 75.65 0.66 Allowed 'General case' 0 N--CA 1.489 1.49 0 O-C-N 120.671 -1.268 . . . . 0.0 111.811 -178.744 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 56.6 pttt -144.62 158.81 43.61 Favored 'General case' 0 N--CA 1.497 1.921 0 O-C-N 121.096 -1.003 . . . . 0.0 108.423 177.737 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 89.0 mt -108.38 128.11 54.47 Favored 'General case' 0 N--CA 1.501 2.085 0 O-C-N 121.271 -0.893 . . . . 0.0 110.372 -178.516 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 55.7 tttp -105.45 165.45 11.13 Favored 'General case' 0 N--CA 1.494 1.73 0 N-CA-C 108.201 -1.037 . . . . 0.0 108.201 179.234 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 8.0 ttpm? -60.02 -43.16 95.46 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 120.79 -1.194 . . . . 0.0 110.551 -178.588 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 30' ' ' SER . . . . . 0.427 ' O ' ' OE1' ' B' ' 34' ' ' GLU . 94.7 p -60.61 -40.3 91.36 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 120.895 -1.128 . . . . 0.0 109.922 -179.576 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 85.5 tt0 -60.09 -37.74 80.83 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.383 -0.823 . . . . 0.0 110.072 179.893 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 96.0 mt -60.01 -40.05 87.89 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.196 -0.94 . . . . 0.0 111.017 -178.222 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 7.7 ttpm? -59.97 -49.58 77.13 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 120.415 -1.428 . . . . 0.0 110.116 -178.911 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 34' ' ' GLU . . . . . 0.488 ' OE1' ' N ' ' B' ' 34' ' ' GLU . 22.7 mp0 -69.86 -40.0 76.04 Favored 'General case' 0 N--CA 1.496 1.838 0 O-C-N 120.931 -1.106 . . . . 0.0 110.121 179.774 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 35' ' ' LEU . . . . . 0.462 ' O ' ' OD1' ' B' ' 38' ' ' ASN . 7.7 tt -62.15 -40.75 97.03 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.3 -0.875 . . . . 0.0 110.05 -179.41 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 89.1 mt -69.55 -39.96 79.04 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.597 0 O-C-N 121.156 -0.965 . . . . 0.0 110.722 -178.968 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 28.0 m-20 -60.03 -39.98 87.75 Favored 'General case' 0 N--CA 1.495 1.776 0 O-C-N 121.109 -0.994 . . . . 0.0 112.306 -178.194 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 38' ' ' ASN . . . . . 0.462 ' OD1' ' O ' ' B' ' 35' ' ' LEU . 7.5 p-10 -71.23 -40.02 71.34 Favored 'General case' 0 N--CA 1.495 1.785 0 O-C-N 120.449 -1.407 . . . . 0.0 111.942 -178.086 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -91.79 -79.75 0.37 Allowed 'General case' 0 N--CA 1.504 2.249 0 O-C-N 120.555 -1.341 . . . . 0.0 110.906 -178.92 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 40' ' ' LEU . . . . . 0.503 HD12 ' N ' ' B' ' 40' ' ' LEU . 11.1 mp -72.69 138.5 46.65 Favored 'General case' 0 N--CA 1.497 1.905 0 O-C-N 120.897 -1.127 . . . . 0.0 110.645 -178.494 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 40.5 p -147.99 -53.63 0.2 Allowed 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.61 -0.682 . . . . 0.0 109.524 179.479 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 42' ' ' HIS . . . . . . . . . . . . . 38.0 m80 -91.0 -12.82 34.68 Favored 'General case' 0 N--CA 1.498 1.933 0 O-C-N 121.125 -0.985 . . . . 0.0 110.296 -179.622 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 57.9 m-85 -60.01 -39.94 87.54 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 120.782 -1.199 . . . . 0.0 108.881 -179.613 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 44' ' ' LEU . . . . . 0.851 ' N ' HD13 ' B' ' 44' ' ' LEU . 0.0 OUTLIER -108.72 163.44 13.26 Favored 'General case' 0 N--CA 1.499 2.013 0 N-CA-C 107.397 -1.335 . . . . 0.0 107.397 177.909 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 56.6 mp0 -54.57 -62.21 1.8 Allowed 'General case' 0 N--CA 1.491 1.594 0 O-C-N 120.579 -1.326 . . . . 0.0 109.468 -178.358 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 81.1 tt0 -179.09 142.77 0.2 Allowed 'General case' 0 N--CA 1.497 1.888 0 N-CA-C 109.042 -0.725 . . . . 0.0 109.042 179.22 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 39.9 mm -84.67 120.25 34.96 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.767 0 O-C-N 120.909 -1.119 . . . . 0.0 108.806 179.519 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 32.0 tttm -161.22 -23.45 0.05 Allowed 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.09 -1.006 . . . . 0.0 109.995 179.812 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 49' ' ' GLU . . . . . 0.511 ' OE1' ' N ' ' B' ' 49' ' ' GLU . 57.7 mp0 -101.93 139.97 36.85 Favored 'General case' 0 N--CA 1.496 1.871 0 O-C-N 121.17 -0.956 . . . . 0.0 109.324 179.884 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 26.3 mm100 -68.37 -33.57 74.5 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.425 -0.797 . . . . 0.0 109.593 -179.867 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 59.7 mp0 -60.03 -39.97 87.73 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.348 -0.845 . . . . 0.0 110.249 -179.044 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 74.5 t -59.99 -40.58 83.48 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.626 0 O-C-N 121.062 -1.024 . . . . 0.0 109.725 -178.825 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 54.5 t -69.96 -41.44 79.42 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.601 0 O-C-N 121.128 -0.983 . . . . 0.0 109.589 179.823 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 56.8 t0 -60.21 -44.48 95.12 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.175 -0.953 . . . . 0.0 109.489 -179.6 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 62.7 tttp -60.12 -47.89 84.02 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.326 -0.858 . . . . 0.0 110.204 -179.534 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 54.6 t -67.66 -41.08 85.14 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.581 0 O-C-N 121.185 -0.947 . . . . 0.0 109.61 -179.211 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 57' ' ' MET . . . . . 0.464 ' SD ' ' O ' ' B' ' 57' ' ' MET . 0.0 OUTLIER -66.29 -45.07 81.69 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.411 -0.806 . . . . 0.0 110.09 -179.261 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 7.4 tm-20 -67.44 -44.4 78.78 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.344 -0.847 . . . . 0.0 110.81 -178.904 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 94.0 m -65.76 -40.06 91.68 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.037 -1.039 . . . . 0.0 110.129 -179.228 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 60' ' ' LEU . . . . . 0.475 ' O ' HD23 ' B' ' 60' ' ' LEU . 4.1 tt -64.23 -48.01 77.48 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.22 -0.925 . . . . 0.0 109.484 -179.662 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 61' ' ' ASP . . . . . 0.523 ' OD2' ' N ' ' B' ' 65' ' ' ASP . 31.4 t0 -76.51 95.62 3.92 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.07 -1.019 . . . . 0.0 109.036 -179.929 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 88.1 mt-10 -68.55 -39.98 80.87 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.361 -0.837 . . . . 0.0 110.462 -179.274 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 63' ' ' ASP . . . . . 0.455 ' OD2' ' OD2' ' B' ' 65' ' ' ASP . 29.7 p30 -93.6 1.48 56.66 Favored 'General case' 0 N--CA 1.498 1.947 0 O-C-N 121.156 -0.965 . . . . 0.0 110.146 -179.374 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 61.03 45.78 95.9 Favored Glycine 0 N--CA 1.491 2.347 0 N-CA-C 110.055 -1.218 . . . . 0.0 110.055 179.478 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 65' ' ' ASP . . . . . 0.523 ' N ' ' OD2' ' B' ' 61' ' ' ASP . 95.4 m-20 -69.64 -19.04 63.63 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.127 -1.22 . . . . 0.0 109.456 179.735 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 87.94 -9.8 73.0 Favored Glycine 0 N--CA 1.491 2.329 0 N-CA-C 108.447 -1.861 . . . . 0.0 108.447 -179.439 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 13.6 pt-20 -144.65 154.29 42.64 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.655 -0.909 . . . . 0.0 109.306 -179.752 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 68' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -112.97 129.45 56.48 Favored 'General case' 0 N--CA 1.502 2.13 0 N-CA-C 108.948 -0.76 . . . . 0.0 108.948 179.91 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 69' ' ' ASP . . . . . 0.513 ' OD1' ' N ' ' B' ' 70' ' ' PHE . 16.3 t70 -90.52 -177.71 5.12 Favored 'General case' 0 N--CA 1.494 1.743 0 O-C-N 121.436 -0.79 . . . . 0.0 110.007 -179.67 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 70' ' ' PHE . . . . . 0.513 ' N ' ' OD1' ' B' ' 69' ' ' ASP . 28.6 t80 -60.0 -41.31 91.83 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.497 -0.752 . . . . 0.0 109.419 -179.859 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 66.2 tp60 -60.02 -43.41 95.27 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.311 -0.868 . . . . 0.0 109.368 -179.793 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 79.8 mt-10 -69.45 -29.97 67.78 Favored 'General case' 0 C--N 1.303 -1.44 0 O-C-N 121.19 -0.944 . . . . 0.0 109.611 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 73' ' ' PHE . . . . . . . . . . . . . 76.2 t80 -60.11 -43.79 95.33 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.002 -1.061 . . . . 0.0 109.136 179.411 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 74' ' ' MET . . . . . . . . . . . . . 97.6 mmm -60.13 -35.54 75.5 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.333 -0.854 . . . . 0.0 108.746 179.159 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -60.08 -37.76 80.86 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.515 -0.74 . . . . 0.0 109.73 -179.83 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -57.89 -51.09 71.04 Favored 'General case' 0 N--CA 1.493 1.715 0 N-CA-C 108.356 -0.979 . . . . 0.0 108.356 -179.792 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 77' ' ' VAL . . . . . . . . . . . . . 60.0 t -66.47 -42.48 90.32 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.529 0 O-C-N 121.379 -0.826 . . . . 0.0 110.367 -179.474 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 78' ' ' SER . . . . . . . . . . . . . 59.7 p -60.59 -46.73 89.13 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.157 -0.964 . . . . 0.0 110.6 -178.974 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 79' ' ' MET . . . . . . . . . . . . . 9.7 ttm -60.0 -50.05 75.25 Favored 'General case' 0 N--CA 1.494 1.745 0 O-C-N 121.026 -1.046 . . . . 0.0 109.963 -179.596 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 64.0 t -67.83 -39.85 82.6 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.482 0 O-C-N 121.474 -0.766 . . . . 0.0 109.89 -179.093 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 81' ' ' THR . . . . . 0.49 ' O ' ' SG ' ' B' ' 84' ' ' CYS . 87.7 m -59.97 -40.18 88.17 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.226 -0.921 . . . . 0.0 110.127 -178.385 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 29.3 p -69.98 -38.27 75.98 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 120.952 -1.092 . . . . 0.0 109.369 179.607 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -79.47 -11.09 59.91 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.318 -0.864 . . . . 0.0 109.786 -179.874 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 84' ' ' CYS . . . . . 0.5 ' SG ' ' O ' ' B' ' 84' ' ' CYS . 11.4 p -54.88 126.13 23.08 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.169 -0.957 . . . . 0.0 109.758 -179.645 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 85' ' ' HIS . . . . . 0.481 ' O ' ' CE1' ' B' ' 87' ' ' PHE . 0.0 OUTLIER -107.3 19.98 19.58 Favored 'General case' 0 N--CA 1.499 1.995 0 O-C-N 121.499 -0.75 . . . . 0.0 109.588 -179.719 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 63.7 mm-40 -56.86 134.43 55.29 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.189 -0.944 . . . . 0.0 109.549 -179.437 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 87' ' ' PHE . . . . . 0.481 ' CE1' ' O ' ' B' ' 85' ' ' HIS . 2.0 m-85 -100.78 108.56 20.41 Favored 'General case' 0 N--CA 1.494 1.764 0 O-C-N 121.493 -0.755 . . . . 0.0 109.613 -179.841 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 22.8 m-85 -110.09 -90.02 0.48 Allowed 'General case' 0 N--CA 1.498 1.972 0 N-CA-C 108.205 -1.035 . . . . 0.0 108.205 179.099 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 89' ' ' GLU . . . . . 0.402 ' O ' ' NE2' ' A' ' 15' ' ' HIS . 67.6 mm-40 -95.69 103.56 15.44 Favored 'General case' 0 N--CA 1.494 1.751 0 O-C-N 121.177 -0.952 . . . . 0.0 109.126 179.686 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 90' ' ' HIS . . . . . . . . . . . . . 12.7 p-80 -70.04 -19.92 63.28 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.358 -0.839 . . . . 0.0 109.316 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 . . . . . 0 N--CA 1.497 1.882 0 CA-C-O 117.946 -1.026 . . . . 0.0 109.598 -179.464 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 92' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 93' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 92' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 93' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 21.0 ptt? . . . . . 0 N--CA 1.49 1.54 0 CA-C-O 121.391 0.615 . . . . 0.0 109.388 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 28.2 t -83.74 169.74 14.91 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.238 -0.914 . . . . 0.0 109.585 -179.911 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 63.4 mm-40 -59.94 -36.59 77.38 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.487 -0.758 . . . . 0.0 109.319 179.874 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.509 HD13 ' O ' ' A' ' 3' ' ' LEU . 0.3 OUTLIER -59.24 -48.28 82.22 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.337 -0.852 . . . . 0.0 109.298 -179.334 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 4' ' ' GLU . . . . . 0.483 ' OE1' ' CE1' ' B' ' 43' ' ' PHE . 43.0 mm-40 -60.84 -42.15 97.22 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 120.894 -1.129 . . . . 0.0 109.593 -179.938 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 54.3 mttp -68.76 -38.4 80.07 Favored 'General case' 0 N--CA 1.495 1.797 0 O-C-N 121.425 -0.797 . . . . 0.0 110.622 -179.903 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -59.23 -39.93 84.31 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.086 -1.009 . . . . 0.0 109.359 -179.022 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 36.3 tpp -60.04 -44.49 94.63 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.218 -0.927 . . . . 0.0 108.886 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 76.7 t -69.94 -40.01 78.19 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.716 0 O-C-N 121.301 -0.874 . . . . 0.0 110.06 179.709 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -47.55 -50.84 22.76 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.277 -0.889 . . . . 0.0 110.632 -178.265 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.425 ' N ' HD12 ' A' ' 10' ' ' LEU . 10.0 mp -60.08 -43.12 95.72 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 120.816 -1.178 . . . . 0.0 109.94 -179.45 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 96.7 mt -69.99 -40.04 78.13 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.66 0 O-C-N 121.21 -0.932 . . . . 0.0 111.002 -179.082 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 37.2 t0 -65.23 -49.95 67.71 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.111 -0.993 . . . . 0.0 110.651 -178.698 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 53.9 t -67.2 -46.99 82.94 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.563 0 O-C-N 121.113 -0.992 . . . . 0.0 110.161 -178.933 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 62.5 t80 -60.05 -49.53 77.29 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.121 -0.987 . . . . 0.0 110.321 -179.203 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 86.3 t60 -60.0 -47.57 85.3 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.191 -0.943 . . . . 0.0 110.968 -178.902 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 62.6 mt-30 -64.99 -53.9 38.88 Favored 'General case' 0 C--N 1.3 -1.571 0 O-C-N 121.172 -0.955 . . . . 0.0 111.408 -178.496 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 63.4 t80 -69.74 -40.93 75.87 Favored 'General case' 0 N--CA 1.495 1.78 0 O-C-N 120.995 -1.066 . . . . 0.0 111.239 -178.422 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 23.3 t -64.3 -40.17 95.4 Favored 'General case' 0 N--CA 1.494 1.736 0 O-C-N 121.123 -0.986 . . . . 0.0 111.408 -178.487 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -69.6 -14.7 70.05 Favored Glycine 0 N--CA 1.495 2.611 0 C-N-CA 119.856 -1.164 . . . . 0.0 110.999 -178.287 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 19.7 mmt180 -63.1 -40.02 96.4 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 120.917 -1.343 . . . . 0.0 109.971 -179.709 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 77.6 mm-40 -113.56 129.81 56.48 Favored 'General case' 0 N--CA 1.5 2.039 0 O-C-N 121.456 -0.777 . . . . 0.0 109.763 -179.428 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 84.22 -13.54 49.76 Favored Glycine 0 N--CA 1.495 2.6 0 N-CA-C 110.007 -1.237 . . . . 0.0 110.007 179.518 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 45.3 t0 50.07 40.01 20.49 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.215 -1.168 . . . . 0.0 109.612 -179.917 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 28.5 ttmt -160.11 -125.49 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.092 -1.005 . . . . 0.0 108.893 179.681 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 97.6 m-70 -146.38 75.86 1.42 Allowed 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.029 -1.044 . . . . 0.0 109.358 179.815 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -145.78 147.5 31.94 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.41 -0.806 . . . . 0.0 109.399 179.568 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 41.3 mt -128.95 126.93 40.7 Favored 'General case' 0 N--CA 1.496 1.84 0 N-CA-C 108.503 -0.925 . . . . 0.0 108.503 179.627 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.479 ' HG3' ' H ' ' A' ' 31' ' ' GLU . 0.1 OUTLIER -100.77 -176.62 3.23 Favored 'General case' 0 N--CA 1.498 1.928 0 O-C-N 121.335 -0.853 . . . . 0.0 109.11 179.722 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 1.6 mppt? -60.06 -49.52 77.34 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.195 -0.94 . . . . 0.0 110.608 -178.828 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 62.7 m -63.03 -43.2 99.36 Favored 'General case' 0 N--CA 1.495 1.781 0 O-C-N 121.136 -0.977 . . . . 0.0 110.864 -179.047 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.479 ' H ' ' HG3' ' A' ' 28' ' ' LYS . 84.7 tt0 -64.64 -39.96 94.63 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.299 -0.876 . . . . 0.0 110.532 -179.025 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 55.5 tp -59.97 -49.38 77.92 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.187 -0.946 . . . . 0.0 109.327 -178.738 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 9.6 mtpm? -60.73 -40.17 91.37 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.093 -1.004 . . . . 0.0 109.833 179.911 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 72.7 mm-40 -65.73 -39.98 91.7 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.311 -0.868 . . . . 0.0 110.074 -179.722 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.622 ' O ' HD23 ' A' ' 35' ' ' LEU . 3.1 tt -60.67 -46.13 91.51 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.173 -0.955 . . . . 0.0 109.061 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 89.1 mt -60.02 -42.47 89.78 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.653 0 O-C-N 121.195 -0.941 . . . . 0.0 109.805 -179.754 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 82.5 m-20 -72.04 -15.73 62.04 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.344 -0.847 . . . . 0.0 110.239 -179.514 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' ASN . . . . . 0.429 ' OD1' ' OE1' ' A' ' 39' ' ' GLU . 41.4 t-20 -59.89 -50.11 75.05 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.093 -1.004 . . . . 0.0 110.677 -178.259 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 39' ' ' GLU . . . . . 0.429 ' OE1' ' OD1' ' A' ' 38' ' ' ASN . 0.6 OUTLIER -154.58 -14.85 0.12 Allowed 'General case' 0 N--CA 1.501 2.078 0 O-C-N 120.542 -1.349 . . . . 0.0 110.21 179.099 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.431 ' N ' HD12 ' A' ' 40' ' ' LEU . 11.1 mp -85.47 7.86 21.21 Favored 'General case' 0 N--CA 1.495 1.78 0 O-C-N 120.887 -1.133 . . . . 0.0 109.049 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 38.9 p -59.99 -39.94 87.46 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.291 -0.88 . . . . 0.0 109.53 179.905 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 46.7 t-80 -63.49 -42.14 98.55 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.227 -0.921 . . . . 0.0 110.085 -179.553 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' PHE . . . . . 0.502 ' CE1' ' OE1' ' B' ' 4' ' ' GLU . 4.4 m-85 -69.26 -46.89 66.17 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.161 -0.962 . . . . 0.0 110.245 -179.516 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 66.2 mt -116.63 130.06 56.52 Favored 'General case' 0 N--CA 1.499 1.993 0 O-C-N 121.488 -0.758 . . . . 0.0 109.68 -179.217 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' GLU . . . . . 0.4 ' O ' ' CD ' ' A' ' 45' ' ' GLU . 11.4 tm-20 -150.91 10.55 0.62 Allowed 'General case' 0 N--CA 1.491 1.607 0 N-CA-C 108.777 -0.823 . . . . 0.0 108.777 -179.812 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -78.25 -10.03 59.48 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.084 -1.01 . . . . 0.0 109.526 -179.887 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 94.5 mt -73.85 127.6 35.78 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.393 0 C-N-CA 119.482 -0.887 . . . . 0.0 109.466 -179.728 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 41.2 tttp -136.35 -53.49 0.73 Allowed 'General case' 0 N--CA 1.494 1.764 0 O-C-N 121.547 -0.721 . . . . 0.0 109.194 -179.813 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 27.1 mp0 -93.29 148.52 21.97 Favored 'General case' 0 N--CA 1.497 1.924 0 O-C-N 121.066 -1.021 . . . . 0.0 109.619 179.423 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 3.1 mp0 -60.0 -32.01 70.46 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.373 -0.83 . . . . 0.0 109.641 -179.933 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -59.82 -37.46 79.26 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.336 -0.853 . . . . 0.0 109.505 -179.223 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 53.5 t -59.98 -40.32 82.72 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.515 0 O-C-N 121.156 -0.965 . . . . 0.0 109.186 -179.629 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 54.4 t -64.97 -41.22 91.54 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.606 0 O-C-N 121.024 -1.048 . . . . 0.0 109.226 179.277 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 8.4 t70 -60.41 -43.25 96.89 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.224 -0.923 . . . . 0.0 109.529 179.901 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 32.9 ttmt -59.95 -43.5 94.97 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.456 -0.778 . . . . 0.0 109.949 -179.757 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 53.8 t -66.01 -40.16 86.53 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.499 0 O-C-N 121.228 -0.92 . . . . 0.0 109.649 -179.419 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 3.7 ttt -63.6 -44.92 92.58 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.154 -0.966 . . . . 0.0 110.333 -179.675 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 38.4 mm-40 -61.81 -40.22 94.47 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 120.946 -1.096 . . . . 0.0 109.638 -179.835 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 94.4 m -70.07 -43.33 71.4 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.396 -0.815 . . . . 0.0 109.72 179.612 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 34.3 tp -62.52 -46.91 86.25 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.45 -0.781 . . . . 0.0 110.563 -179.391 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 95.8 m-20 -80.22 111.32 16.48 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.079 -1.013 . . . . 0.0 109.522 -179.297 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 26.0 mp0 -70.0 -39.79 75.68 Favored 'General case' 0 C--N 1.303 -1.445 0 O-C-N 121.565 -0.71 . . . . 0.0 109.902 -179.788 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 63' ' ' ASP . . . . . 0.402 ' OD1' ' N ' ' A' ' 63' ' ' ASP . 36.7 p-10 -86.99 -6.77 58.65 Favored 'General case' 0 N--CA 1.495 1.822 0 O-C-N 121.183 -0.948 . . . . 0.0 110.351 -179.306 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 56.89 43.15 92.66 Favored Glycine 0 N--CA 1.49 2.297 0 N-CA-C 109.797 -1.321 . . . . 0.0 109.797 179.619 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 33.3 p-10 -68.44 -20.33 64.63 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 120.962 -1.316 . . . . 0.0 109.385 -179.792 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 102.34 -11.84 56.91 Favored Glycine 0 N--CA 1.499 2.889 0 N-CA-C 110.422 -1.071 . . . . 0.0 110.422 179.391 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 20.8 pt-20 -141.44 155.44 45.86 Favored 'General case' 0 N--CA 1.497 1.891 0 O-C-N 120.979 -1.306 . . . . 0.0 109.358 179.715 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 98.1 m -102.15 123.85 46.72 Favored 'General case' 0 N--CA 1.499 2.007 0 O-C-N 121.322 -0.861 . . . . 0.0 109.942 -179.458 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 71.9 m-20 -96.68 175.82 6.24 Favored 'General case' 0 N--CA 1.496 1.837 0 O-C-N 121.476 -0.765 . . . . 0.0 109.663 -179.855 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 73.8 t80 -60.07 -41.45 92.44 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.313 -0.867 . . . . 0.0 110.365 -179.596 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 93.0 mt-30 -60.0 -42.02 93.33 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 120.753 -1.217 . . . . 0.0 109.788 179.805 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 76.9 mt-10 -68.8 -38.32 79.85 Favored 'General case' 0 C--N 1.302 -1.482 0 O-C-N 121.446 -0.784 . . . . 0.0 110.021 -179.601 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 64.4 t80 -60.0 -40.45 89.23 Favored 'General case' 0 N--CA 1.494 1.733 0 O-C-N 121.175 -0.953 . . . . 0.0 110.604 -179.474 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 74' ' ' MET . . . . . 0.523 ' SD ' ' O ' ' A' ' 74' ' ' MET . 0.0 OUTLIER -60.11 -40.6 90.24 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 120.833 -1.167 . . . . 0.0 108.524 -179.748 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -60.78 -38.6 85.84 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.429 -0.794 . . . . 0.0 109.985 179.29 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 66.0 t80 -60.01 -44.11 94.8 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.259 -0.901 . . . . 0.0 110.231 -179.168 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 61.4 t -60.01 -44.27 94.38 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.474 0 O-C-N 120.973 -1.079 . . . . 0.0 109.035 179.837 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 57.2 m -60.1 -39.96 87.98 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.366 -0.833 . . . . 0.0 110.395 -179.534 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 95.5 mtp -64.57 -40.01 94.79 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.203 -0.936 . . . . 0.0 109.92 -179.49 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 83.4 t -69.37 -41.77 80.96 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.499 0 O-C-N 121.214 -0.929 . . . . 0.0 109.408 -179.68 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 81' ' ' THR . . . . . 0.424 ' O ' ' SG ' ' A' ' 84' ' ' CYS . 94.4 m -64.6 -42.74 95.37 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.243 -0.911 . . . . 0.0 109.474 -179.705 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 28.7 p -70.54 -38.75 74.23 Favored 'General case' 0 C--N 1.302 -1.484 0 O-C-N 121.214 -0.929 . . . . 0.0 109.385 179.541 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -68.04 -40.09 82.92 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.323 -0.86 . . . . 0.0 110.145 -179.814 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 84' ' ' CYS . . . . . 0.424 ' SG ' ' O ' ' A' ' 81' ' ' THR . 14.5 p -61.98 150.39 38.02 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.099 -1.001 . . . . 0.0 109.477 -179.773 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 16.3 m-70 -72.6 149.65 43.78 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.215 -0.928 . . . . 0.0 109.674 -179.606 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 92.1 mt-10 -67.58 -39.98 84.86 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.223 -0.923 . . . . 0.0 109.702 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 8.6 m-85 -92.65 100.47 12.97 Favored 'General case' 0 N--CA 1.496 1.844 0 O-C-N 121.206 -0.933 . . . . 0.0 110.57 -178.89 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 15.9 t80 -90.03 -80.05 0.33 Allowed 'General case' 0 N--CA 1.496 1.863 0 N-CA-C 108.17 -1.048 . . . . 0.0 108.17 178.543 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 84.2 tt0 -114.65 -73.37 0.66 Allowed 'General case' 0 N--CA 1.502 2.169 0 N-CA-C 107.699 -1.223 . . . . 0.0 107.699 178.141 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 90' ' ' HIS . . . . . 0.501 ' O ' ' CB ' ' A' ' 91' ' ' GLU . 21.2 m80 51.58 51.54 16.51 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.608 -0.683 . . . . 0.0 111.262 178.083 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 91' ' ' GLU . . . . . 0.501 ' CB ' ' O ' ' A' ' 90' ' ' HIS . 2.8 tm-20 . . . . . 0 N--CA 1.498 1.965 0 CA-C-O 117.973 -1.013 . . . . 0.0 109.603 179.18 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 0' ' ' MET . . . . . . . . . . . . . 21.9 ptt? . . . . . 0 N--CA 1.49 1.539 0 N-CA-C 109.319 -0.623 . . . . 0.0 109.319 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 32.6 t -83.94 169.78 14.68 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.31 -0.869 . . . . 0.0 109.515 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 62.4 mm-40 -60.04 -36.41 77.25 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.46 -0.775 . . . . 0.0 109.425 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 3' ' ' LEU . . . . . 0.503 HD13 ' O ' ' B' ' 3' ' ' LEU . 0.3 OUTLIER -59.62 -47.92 83.68 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.276 -0.89 . . . . 0.0 109.276 -179.267 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 4' ' ' GLU . . . . . 0.502 ' OE1' ' CE1' ' A' ' 43' ' ' PHE . 42.9 mm-40 -60.62 -42.35 96.69 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 120.858 -1.151 . . . . 0.0 109.673 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 55.6 mttp -68.93 -37.76 79.1 Favored 'General case' 0 N--CA 1.496 1.837 0 O-C-N 121.415 -0.803 . . . . 0.0 110.658 -179.83 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -59.37 -40.05 85.27 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.167 -0.958 . . . . 0.0 109.183 -179.132 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 7' ' ' MET . . . . . . . . . . . . . 36.5 tpp -59.97 -44.61 94.35 Favored 'General case' 0 C--N 1.301 -1.535 0 O-C-N 121.273 -0.892 . . . . 0.0 108.902 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 73.8 t -69.98 -39.92 78.01 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.667 0 O-C-N 121.463 -0.773 . . . . 0.0 110.099 179.899 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -47.87 -50.87 25.12 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.302 -0.874 . . . . 0.0 110.669 -178.237 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 10' ' ' LEU . . . . . 0.426 HD12 ' N ' ' B' ' 10' ' ' LEU . 9.5 mp -60.15 -43.12 96.02 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 120.979 -1.076 . . . . 0.0 109.838 -179.483 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 96.9 mt -69.95 -39.96 78.12 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.641 0 O-C-N 121.081 -1.012 . . . . 0.0 110.974 -179.027 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 37.9 t0 -65.18 -49.98 67.71 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 120.899 -1.126 . . . . 0.0 110.604 -178.766 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 67.5 t -67.16 -46.96 83.1 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.597 0 O-C-N 121.182 -0.949 . . . . 0.0 110.129 -178.804 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 14' ' ' PHE . . . . . . . . . . . . . 62.1 t80 -59.93 -49.63 76.94 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 120.995 -1.066 . . . . 0.0 110.338 -179.23 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 86.4 t60 -60.02 -47.81 84.31 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.226 -0.921 . . . . 0.0 110.849 -178.811 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 61.7 mt-30 -64.84 -53.9 39.51 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.027 -1.046 . . . . 0.0 111.381 -178.459 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 62.9 t80 -69.74 -40.93 75.88 Favored 'General case' 0 N--CA 1.496 1.84 0 O-C-N 120.961 -1.087 . . . . 0.0 111.275 -178.395 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 23.2 t -64.5 -39.93 94.71 Favored 'General case' 0 N--CA 1.495 1.775 0 O-C-N 121.039 -1.038 . . . . 0.0 111.573 -178.463 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -70.04 -14.24 70.66 Favored Glycine 0 N--CA 1.495 2.6 0 C-N-CA 119.833 -1.175 . . . . 0.0 110.828 -178.214 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 19.9 mmt180 -63.18 -39.98 96.2 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 120.795 -1.415 . . . . 0.0 110.046 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 77.3 mm-40 -113.72 129.29 56.6 Favored 'General case' 0 N--CA 1.5 2.029 0 O-C-N 121.514 -0.741 . . . . 0.0 109.823 -179.441 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . 84.8 -13.39 53.54 Favored Glycine 0 N--CA 1.494 2.531 0 N-CA-C 109.944 -1.262 . . . . 0.0 109.944 179.464 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 43.9 t0 50.01 40.04 20.32 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.235 -1.156 . . . . 0.0 109.79 -179.884 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 29.2 ttmt -160.18 -125.19 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.216 -0.927 . . . . 0.0 108.952 179.761 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 25' ' ' HIS . . . . . . . . . . . . . 97.9 m-70 -146.77 75.38 1.39 Allowed 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.042 -1.036 . . . . 0.0 109.307 179.927 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -145.31 147.65 32.56 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 121.47 -0.768 . . . . 0.0 109.377 179.46 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 46.8 mt -128.73 127.07 41.35 Favored 'General case' 0 N--CA 1.495 1.811 0 N-CA-C 108.515 -0.92 . . . . 0.0 108.515 179.573 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 28' ' ' LYS . . . . . 0.472 ' HG3' ' H ' ' B' ' 31' ' ' GLU . 0.1 OUTLIER -100.86 -176.71 3.25 Favored 'General case' 0 N--CA 1.498 1.938 0 O-C-N 121.327 -0.858 . . . . 0.0 109.078 179.582 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 1.8 mppt? -59.95 -49.73 76.55 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.284 -0.885 . . . . 0.0 110.553 -179.003 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 68.1 m -62.86 -43.57 98.46 Favored 'General case' 0 N--CA 1.495 1.808 0 O-C-N 121.097 -1.002 . . . . 0.0 110.852 -179.029 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 31' ' ' GLU . . . . . 0.472 ' H ' ' HG3' ' B' ' 28' ' ' LYS . 85.6 tt0 -64.41 -39.96 94.85 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.303 -0.873 . . . . 0.0 110.55 -179.018 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 63.5 tp -59.95 -49.43 77.7 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.2 -0.938 . . . . 0.0 109.362 -178.768 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 9.8 mtpm? -60.55 -40.36 91.31 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.097 -1.002 . . . . 0.0 109.835 179.804 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 72.7 mm-40 -65.56 -40.04 92.35 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.344 -0.847 . . . . 0.0 110.052 -179.69 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 35' ' ' LEU . . . . . 0.618 ' O ' HD23 ' B' ' 35' ' ' LEU . 2.8 tt -60.61 -46.16 91.3 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.052 -1.03 . . . . 0.0 109.096 -179.94 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 89.3 mt -60.03 -42.54 90.06 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.643 0 O-C-N 121.179 -0.951 . . . . 0.0 109.797 -179.746 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 82.6 m-20 -72.07 -15.47 62.02 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.359 -0.838 . . . . 0.0 110.281 -179.588 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 38' ' ' ASN . . . . . 0.415 ' OD1' ' OE1' ' B' ' 39' ' ' GLU . 41.2 t-20 -60.03 -50.03 75.32 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.204 -0.935 . . . . 0.0 110.696 -178.357 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 39' ' ' GLU . . . . . 0.415 ' OE1' ' OD1' ' B' ' 38' ' ' ASN . 0.7 OUTLIER -154.71 -14.97 0.12 Allowed 'General case' 0 N--CA 1.499 2.017 0 O-C-N 120.497 -1.377 . . . . 0.0 110.263 179.095 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 40' ' ' LEU . . . . . 0.415 HD12 ' N ' ' B' ' 40' ' ' LEU . 11.0 mp -85.31 7.66 21.47 Favored 'General case' 0 N--CA 1.495 1.795 0 O-C-N 120.911 -1.118 . . . . 0.0 109.053 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 28.0 p -59.94 -39.96 87.32 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.355 -0.841 . . . . 0.0 109.634 179.844 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 42' ' ' HIS . . . . . . . . . . . . . 47.0 t-80 -63.38 -42.53 98.84 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.245 -0.909 . . . . 0.0 110.037 -179.525 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 43' ' ' PHE . . . . . 0.483 ' CE1' ' OE1' ' A' ' 4' ' ' GLU . 4.4 m-85 -69.09 -46.67 67.17 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.199 -0.938 . . . . 0.0 110.14 -179.473 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 69.3 mt -116.62 129.89 56.42 Favored 'General case' 0 N--CA 1.499 1.982 0 O-C-N 121.487 -0.758 . . . . 0.0 109.717 -179.086 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 45' ' ' GLU . . . . . 0.4 ' O ' ' CD ' ' B' ' 45' ' ' GLU . 11.3 tm-20 -150.95 10.78 0.63 Allowed 'General case' 0 N--CA 1.492 1.65 0 N-CA-C 108.839 -0.8 . . . . 0.0 108.839 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -78.52 -10.04 59.57 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.021 -1.049 . . . . 0.0 109.594 -179.871 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 90.3 mt -73.54 127.36 35.39 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.459 0 O-C-N 121.165 -0.96 . . . . 0.0 109.331 -179.876 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 43.0 tttp -135.89 -53.7 0.76 Allowed 'General case' 0 N--CA 1.493 1.724 0 N-CA-C 109.041 -0.725 . . . . 0.0 109.041 -179.788 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 27.2 mp0 -93.45 148.93 21.63 Favored 'General case' 0 N--CA 1.498 1.971 0 O-C-N 121.237 -0.914 . . . . 0.0 109.718 179.564 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 3.2 mp0 -60.01 -32.17 70.62 Favored 'General case' 0 N--CA 1.494 1.768 0 O-C-N 121.393 -0.817 . . . . 0.0 109.631 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -60.06 -37.09 78.83 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.296 -0.878 . . . . 0.0 109.521 -179.337 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 58.1 t -60.03 -40.86 84.4 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.493 0 O-C-N 121.219 -0.925 . . . . 0.0 109.242 -179.889 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 54.4 t -64.83 -41.39 92.05 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.587 0 O-C-N 121.004 -1.06 . . . . 0.0 109.046 179.756 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 8.4 t70 -60.18 -42.75 95.68 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.22 -0.925 . . . . 0.0 109.594 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 33.2 ttmt -60.68 -42.92 98.08 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.3 -0.875 . . . . 0.0 109.821 -179.79 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 77.5 t -66.3 -40.11 85.94 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.479 0 O-C-N 121.23 -0.918 . . . . 0.0 109.62 -179.537 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 57' ' ' MET . . . . . . . . . . . . . 3.8 ttt -63.71 -44.54 93.3 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.146 -0.971 . . . . 0.0 110.344 -179.43 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 38.2 mm-40 -62.2 -40.18 95.22 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 120.994 -1.066 . . . . 0.0 109.603 -179.882 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 94.2 m -70.01 -43.33 71.59 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.31 -0.869 . . . . 0.0 109.753 179.625 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 35.7 tp -62.46 -47.08 85.6 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.51 -0.744 . . . . 0.0 110.595 -179.454 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 95.5 m-20 -80.07 111.22 16.21 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.096 -1.002 . . . . 0.0 109.598 -179.348 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 25.9 mp0 -69.97 -39.96 75.66 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.566 -0.709 . . . . 0.0 109.86 -179.694 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 37.3 p-10 -86.71 -7.04 58.64 Favored 'General case' 0 N--CA 1.495 1.792 0 O-C-N 121.278 -0.889 . . . . 0.0 110.341 -179.483 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 57.01 42.96 93.24 Favored Glycine 0 N--CA 1.49 2.282 0 N-CA-C 109.872 -1.291 . . . . 0.0 109.872 179.623 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 33.7 p-10 -68.38 -20.33 64.68 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.0 -1.294 . . . . 0.0 109.295 -179.762 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 102.3 -11.39 56.91 Favored Glycine 0 N--CA 1.498 2.827 0 N-CA-C 110.507 -1.037 . . . . 0.0 110.507 179.281 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 20.7 pt-20 -141.59 155.05 45.78 Favored 'General case' 0 N--CA 1.497 1.891 0 O-C-N 121.081 -1.247 . . . . 0.0 109.266 179.663 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 68' ' ' CYS . . . . . . . . . . . . . 83.5 m -101.83 124.06 46.83 Favored 'General case' 0 N--CA 1.5 2.043 0 O-C-N 121.31 -0.869 . . . . 0.0 109.934 -179.509 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 73.0 m-20 -96.71 175.64 6.3 Favored 'General case' 0 N--CA 1.495 1.802 0 O-C-N 121.551 -0.718 . . . . 0.0 109.607 -179.891 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 71.3 t80 -60.03 -41.09 91.5 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.362 -0.836 . . . . 0.0 110.3 -179.571 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 90.1 mt-30 -60.02 -42.5 94.47 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 120.941 -1.099 . . . . 0.0 109.724 179.904 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 76.1 mt-10 -68.7 -38.02 79.98 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.311 -0.868 . . . . 0.0 109.99 -179.671 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 73' ' ' PHE . . . . . . . . . . . . . 64.7 t80 -60.03 -40.38 89.13 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.097 -1.002 . . . . 0.0 110.639 -179.358 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 74' ' ' MET . . . . . 0.515 ' SD ' ' O ' ' B' ' 74' ' ' MET . 0.0 OUTLIER -60.04 -40.69 90.25 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 120.923 -1.11 . . . . 0.0 108.501 -179.823 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -60.85 -38.8 86.75 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.485 -0.759 . . . . 0.0 110.015 179.415 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 64.7 t80 -59.97 -43.88 94.82 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.294 -0.878 . . . . 0.0 110.237 -179.168 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 77' ' ' VAL . . . . . . . . . . . . . 53.4 t -60.07 -44.57 95.21 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.511 0 O-C-N 121.033 -1.042 . . . . 0.0 109.043 179.746 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 78' ' ' SER . . . . . 0.431 ' OG ' ' SD ' ' A' ' 74' ' ' MET . 52.3 m -59.97 -40.07 87.82 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.481 -0.762 . . . . 0.0 110.371 -179.449 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 79' ' ' MET . . . . . . . . . . . . . 96.6 mtp -64.28 -40.05 95.17 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.094 -1.004 . . . . 0.0 109.932 -179.395 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 73.8 t -69.43 -41.68 80.78 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.413 0 O-C-N 121.229 -0.92 . . . . 0.0 109.482 -179.773 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 81' ' ' THR . . . . . 0.436 ' O ' ' SG ' ' B' ' 84' ' ' CYS . 94.7 m -64.48 -42.9 95.61 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.229 -0.92 . . . . 0.0 109.6 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 20.2 p -70.38 -39.11 74.75 Favored 'General case' 0 C--N 1.302 -1.49 0 O-C-N 121.176 -0.953 . . . . 0.0 109.363 179.432 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -67.72 -39.98 84.27 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.415 -0.803 . . . . 0.0 110.259 -179.605 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 84' ' ' CYS . . . . . 0.436 ' SG ' ' O ' ' B' ' 81' ' ' THR . 14.7 p -62.24 150.33 39.37 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 120.943 -1.098 . . . . 0.0 109.431 -179.904 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 85' ' ' HIS . . . . . . . . . . . . . 16.3 m-70 -72.36 149.98 43.87 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.209 -0.932 . . . . 0.0 109.622 -179.648 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 92.2 mt-10 -67.92 -40.05 83.42 Favored 'General case' 0 N--CA 1.488 1.454 0 O-C-N 121.305 -0.872 . . . . 0.0 109.698 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 87' ' ' PHE . . . . . . . . . . . . . 7.9 m-85 -92.6 100.53 13.03 Favored 'General case' 0 N--CA 1.496 1.853 0 O-C-N 121.199 -0.938 . . . . 0.0 110.468 -178.874 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 15.9 t80 -89.95 -80.02 0.32 Allowed 'General case' 0 N--CA 1.496 1.848 0 N-CA-C 108.167 -1.049 . . . . 0.0 108.167 178.535 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 86.9 tt0 -114.9 -72.24 0.7 Allowed 'General case' 0 N--CA 1.502 2.136 0 N-CA-C 107.744 -1.206 . . . . 0.0 107.744 178.289 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 90' ' ' HIS . . . . . 0.489 ' O ' ' CB ' ' B' ' 91' ' ' GLU . 24.2 m80 50.55 50.86 18.04 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.537 -0.727 . . . . 0.0 111.515 178.107 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 91' ' ' GLU . . . . . 0.489 ' CB ' ' O ' ' B' ' 90' ' ' HIS . 3.0 tm-20 . . . . . 0 N--CA 1.498 1.968 0 CA-C-O 117.903 -1.046 . . . . 0.0 109.742 179.202 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 92' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 93' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 92' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 93' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 96.9 mtp . . . . . 0 N--CA 1.489 1.522 0 N-CA-C 109.452 -0.573 . . . . 0.0 109.452 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 1.9 t -76.56 0.71 19.04 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.214 -0.929 . . . . 0.0 109.159 179.908 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 95.4 mt-10 -60.08 -31.2 69.79 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.206 -0.934 . . . . 0.0 109.144 179.835 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 65.1 tp -60.0 -48.61 81.0 Favored 'General case' 0 N--CA 1.488 1.455 0 O-C-N 121.205 -0.934 . . . . 0.0 109.074 -179.674 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 85.6 tt0 -60.12 -40.42 89.67 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.153 -0.967 . . . . 0.0 109.091 179.664 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 17.2 mtpp -67.07 -36.25 81.6 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.556 -0.715 . . . . 0.0 109.725 -179.935 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -59.97 -43.33 95.14 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.386 -0.821 . . . . 0.0 109.981 -178.745 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 57.1 mtt -60.06 -42.95 95.62 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 120.827 -1.171 . . . . 0.0 108.962 179.503 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 53.9 t -69.95 -40.09 78.26 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.45 0 O-C-N 121.353 -0.842 . . . . 0.0 109.131 179.335 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.01 -43.78 94.99 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.475 -0.766 . . . . 0.0 110.631 -179.301 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 1.2 mt -60.02 -49.73 76.5 Favored 'General case' 0 N--CA 1.494 1.746 0 O-C-N 121.053 -1.029 . . . . 0.0 109.46 -179.52 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 96.7 mt -60.58 -45.63 96.9 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.486 0 O-C-N 121.131 -0.981 . . . . 0.0 109.958 -179.907 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 95.9 m-20 -61.28 -41.38 96.85 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.363 -0.836 . . . . 0.0 110.709 -178.538 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 53.8 t -70.02 -46.21 73.82 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.736 0 O-C-N 120.871 -1.143 . . . . 0.0 110.128 -179.115 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 65.3 t80 -60.03 -41.24 91.79 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.144 -0.972 . . . . 0.0 110.173 -179.481 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 52.4 t-80 -60.75 -46.35 90.79 Favored 'General case' 0 C--N 1.3 -1.552 0 O-C-N 121.353 -0.842 . . . . 0.0 110.956 -179.278 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 74.1 mt-30 -60.93 -50.76 72.1 Favored 'General case' 0 N--CA 1.495 1.818 0 O-C-N 120.987 -1.071 . . . . 0.0 111.143 -178.639 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 63.8 m-85 -71.0 -37.59 72.68 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 121.006 -1.059 . . . . 0.0 110.309 -179.721 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 72.0 m -60.08 -41.19 91.93 Favored 'General case' 0 C--N 1.299 -1.6 0 O-C-N 121.122 -0.986 . . . . 0.0 110.142 -178.962 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -75.47 19.73 2.37 Favored Glycine 0 N--CA 1.493 2.474 0 C-N-CA 120.085 -1.055 . . . . 0.0 110.602 -179.386 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.43 ' NH1' ' OE1' ' A' ' 34' ' ' GLU . 66.9 ttt180 -59.99 -44.96 94.17 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.11 -1.23 . . . . 0.0 110.412 -179.676 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.433 ' O ' ' C ' ' A' ' 22' ' ' GLY . 82.0 tt0 -164.97 114.4 1.09 Allowed 'General case' 0 N--CA 1.493 1.71 0 O-C-N 120.682 -1.261 . . . . 0.0 111.241 -179.551 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 22' ' ' GLY . . . . . 0.433 ' C ' ' O ' ' A' ' 21' ' ' GLU . . . 32.64 41.54 0.11 Allowed Glycine 0 N--CA 1.502 3.066 0 N-CA-C 111.872 -0.491 . . . . 0.0 111.872 178.291 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 23' ' ' ASP . . . . . 0.405 ' OD2' ' O ' ' A' ' 21' ' ' GLU . 34.0 m-20 -144.45 84.16 1.74 Allowed 'General case' 0 N--CA 1.5 2.05 0 O-C-N 121.004 -1.291 . . . . 0.0 109.498 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 2.9 mmmm -92.54 -41.53 10.19 Favored 'General case' 0 N--CA 1.497 1.899 0 O-C-N 120.798 -1.189 . . . . 0.0 110.708 -179.068 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 41.1 p-80 -111.94 17.07 20.03 Favored 'General case' 0 N--CA 1.503 2.206 0 O-C-N 121.229 -0.919 . . . . 0.0 111.162 -178.26 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 63.0 mttm -140.51 144.94 36.26 Favored 'General case' 0 N--CA 1.498 1.93 0 O-C-N 121.025 -1.047 . . . . 0.0 109.006 178.546 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 2.3 tp -124.89 129.37 50.26 Favored 'General case' 0 N--CA 1.498 1.936 0 N-CA-C 108.272 -1.01 . . . . 0.0 108.272 -179.936 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.409 ' H ' ' HG2' ' A' ' 28' ' ' LYS . 46.4 pttt -110.52 -177.22 3.18 Favored 'General case' 0 N--CA 1.5 2.038 0 CA-C-O 121.82 0.819 . . . . 0.0 111.131 -178.476 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 34.0 mtmt -60.01 -40.04 87.89 Favored 'General case' 0 N--CA 1.496 1.846 0 N-CA-C 112.707 0.632 . . . . 0.0 112.707 -178.115 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 73.1 m -60.06 -42.16 93.89 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 120.7 -1.25 . . . . 0.0 110.525 -177.693 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 -72.58 -39.81 67.09 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.127 -0.983 . . . . 0.0 110.745 179.738 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 53.4 tp -59.97 -41.07 91.17 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.2 -0.938 . . . . 0.0 109.164 -179.134 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 78.8 tttt -61.91 -40.73 96.46 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.678 -0.639 . . . . 0.0 110.958 -179.803 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' GLU . . . . . 0.43 ' OE1' ' NH1' ' A' ' 20' ' ' ARG . 81.5 tt0 -66.11 -39.98 90.36 Favored 'General case' 0 N--CA 1.495 1.787 0 O-C-N 120.884 -1.135 . . . . 0.0 111.233 -178.544 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 16.0 mt -66.72 -39.97 88.22 Favored 'General case' 0 N--CA 1.495 1.822 0 O-C-N 120.909 -1.12 . . . . 0.0 110.839 -179.154 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 89.1 mt -66.27 -39.88 85.39 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.643 0 O-C-N 120.912 -1.118 . . . . 0.0 110.755 -178.764 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 10.0 t-20 -79.05 -19.57 51.03 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.099 -1.001 . . . . 0.0 110.7 -179.351 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -65.94 -59.85 3.42 Favored 'General case' 0 N--CA 1.494 1.745 0 O-C-N 120.994 -1.066 . . . . 0.0 111.538 -178.186 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 1.5 pm0 -149.54 22.57 0.91 Allowed 'General case' 0 N--CA 1.502 2.166 0 O-C-N 120.514 -1.366 . . . . 0.0 111.327 -179.323 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 5.1 mt -127.74 16.26 6.93 Favored 'General case' 0 N--CA 1.505 2.287 0 O-C-N 121.097 -1.002 . . . . 0.0 109.732 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 84.1 p -69.97 -36.15 75.0 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.041 -1.037 . . . . 0.0 110.109 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 16.8 m170 -61.36 -40.06 92.93 Favored 'General case' 0 N--CA 1.495 1.79 0 O-C-N 121.05 -1.031 . . . . 0.0 111.189 -178.885 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 41.8 m-85 -61.62 -47.12 86.87 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 120.847 -1.158 . . . . 0.0 110.426 -178.967 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 92.8 mt -93.86 -71.85 0.64 Allowed 'General case' 0 N--CA 1.495 1.819 0 O-C-N 121.043 -1.036 . . . . 0.0 109.817 -179.743 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 1.4 tm-20 63.74 3.78 1.67 Allowed 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.243 -0.911 . . . . 0.0 109.127 -179.668 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 2.6 tm-20 -94.25 -1.45 53.98 Favored 'General case' 0 N--CA 1.495 1.823 0 O-C-N 121.303 -0.873 . . . . 0.0 109.046 179.865 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 7.7 mm -79.4 129.61 37.32 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.536 0 O-C-N 121.07 -1.019 . . . . 0.0 109.702 -179.544 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 4.7 tmtm? -153.56 -39.57 0.1 Allowed 'General case' 0 N--CA 1.49 1.566 0 N-CA-C 108.543 -0.91 . . . . 0.0 108.543 179.737 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -108.16 144.86 35.01 Favored 'General case' 0 N--CA 1.497 1.922 0 O-C-N 121.477 -0.764 . . . . 0.0 110.02 -179.645 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 96.1 mm-40 -67.96 -28.91 67.86 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 121.397 -0.814 . . . . 0.0 110.091 -179.794 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 41.0 tt0 -60.01 -39.98 87.66 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.169 -0.957 . . . . 0.0 109.72 -179.194 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 53.7 t -59.95 -41.47 86.14 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.652 0 O-C-N 121.242 -0.911 . . . . 0.0 110.118 -179.085 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 53.1 t -60.91 -40.84 86.66 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.722 0 O-C-N 120.852 -1.155 . . . . 0.0 109.542 -179.754 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 79.2 m-20 -62.28 -41.6 98.62 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.318 -0.864 . . . . 0.0 110.27 -179.176 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 76.9 tttt -63.42 -40.08 96.23 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.417 -0.802 . . . . 0.0 110.47 -179.302 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 69.5 t -61.65 -40.76 87.82 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.606 0 O-C-N 121.201 -0.937 . . . . 0.0 110.245 -179.157 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 57' ' ' MET . . . . . 0.458 ' SD ' ' SG ' ' A' ' 68' ' ' CYS . 90.2 mmm -63.2 -40.09 96.49 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.278 -0.889 . . . . 0.0 110.897 -178.987 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 4.5 tm-20 -67.37 -39.96 85.72 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.102 -0.998 . . . . 0.0 110.437 -178.877 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 96.1 m -68.35 -39.95 81.68 Favored 'General case' 0 N--CA 1.495 1.81 0 O-C-N 121.172 -0.955 . . . . 0.0 110.956 -179.504 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 15.8 tp -67.53 -20.22 65.39 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.183 -0.948 . . . . 0.0 109.542 -178.993 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 61' ' ' ASP . . . . . 0.485 ' CG ' ' H ' ' A' ' 66' ' ' GLY . 36.7 t70 -73.99 81.58 1.7 Allowed 'General case' 0 N--CA 1.494 1.732 0 O-C-N 121.165 -0.959 . . . . 0.0 111.39 -178.801 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 85.5 mt-10 -87.69 -23.03 24.31 Favored 'General case' 0 N--CA 1.496 1.861 0 O-C-N 121.167 -0.958 . . . . 0.0 109.056 178.272 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 63' ' ' ASP . . . . . 0.457 ' OD1' ' N ' ' A' ' 63' ' ' ASP . 28.6 p-10 -82.32 -2.84 54.02 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.214 -0.929 . . . . 0.0 110.122 -179.323 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 69.65 31.13 70.51 Favored Glycine 0 N--CA 1.493 2.496 0 N-CA-C 110.196 -1.162 . . . . 0.0 110.196 179.071 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 9.7 t70 -94.44 -36.72 11.77 Favored 'General case' 0 N--CA 1.495 1.803 0 O-C-N 121.125 -1.22 . . . . 0.0 110.18 -179.506 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 66' ' ' GLY . . . . . 0.485 ' H ' ' CG ' ' A' ' 61' ' ' ASP . . . 90.27 -2.74 81.57 Favored Glycine 0 N--CA 1.499 2.888 0 O-C-N 120.972 -1.08 . . . . 0.0 110.916 179.298 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 61.9 mm-40 -134.1 157.72 45.45 Favored 'General case' 0 N--CA 1.5 2.066 0 O-C-N 121.086 -1.244 . . . . 0.0 108.413 179.489 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 68' ' ' CYS . . . . . 0.458 ' SG ' ' SD ' ' A' ' 57' ' ' MET . 55.8 m -92.06 107.38 19.17 Favored 'General case' 0 N--CA 1.496 1.833 0 O-C-N 120.911 -1.118 . . . . 0.0 109.821 -179.53 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 95.2 m-20 -89.32 168.34 12.33 Favored 'General case' 0 N--CA 1.495 1.823 0 O-C-N 121.036 -1.04 . . . . 0.0 109.382 179.657 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 70.3 t80 -59.96 -40.0 87.53 Favored 'General case' 0 C--N 1.301 -1.506 0 O-C-N 121.412 -0.805 . . . . 0.0 109.505 -179.793 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 51.9 tt0 -60.02 -49.69 76.69 Favored 'General case' 0 N--CA 1.494 1.751 0 O-C-N 121.247 -0.908 . . . . 0.0 110.87 -178.906 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -69.98 -26.81 64.26 Favored 'General case' 0 N--CA 1.498 1.946 0 O-C-N 120.811 -1.181 . . . . 0.0 109.026 -179.823 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 47.1 t80 -60.04 -46.9 88.01 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.376 -0.827 . . . . 0.0 109.703 -179.006 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 97.1 mmm -59.99 -39.19 84.9 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.177 -0.952 . . . . 0.0 108.918 179.759 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -59.66 -36.31 76.16 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.416 -0.802 . . . . 0.0 109.685 -179.686 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 84.0 t80 -60.07 -41.63 92.8 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 120.941 -1.1 . . . . 0.0 109.329 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 54.2 t -60.0 -40.98 84.66 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.545 0 O-C-N 121.055 -1.028 . . . . 0.0 108.693 179.29 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 37.5 t -63.63 -46.16 86.94 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.401 -0.812 . . . . 0.0 110.009 -179.902 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 95.7 mtp -60.23 -40.28 89.67 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.118 -0.989 . . . . 0.0 109.756 -179.504 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 54.7 t -69.25 -39.99 79.8 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.472 0 O-C-N 121.258 -0.901 . . . . 0.0 109.173 179.852 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 15.8 m -65.12 -43.94 90.35 Favored 'General case' 0 C--N 1.303 -1.44 0 O-C-N 121.312 -0.867 . . . . 0.0 109.587 -179.562 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 63.4 p -70.48 -39.98 73.9 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.199 -0.938 . . . . 0.0 109.992 -179.932 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -59.98 -47.66 84.9 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.134 -0.979 . . . . 0.0 109.501 -179.709 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 84' ' ' CYS . . . . . 0.444 ' SG ' ' O ' ' A' ' 84' ' ' CYS . 26.3 p -80.79 110.88 16.72 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.272 -0.893 . . . . 0.0 109.439 179.924 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 85' ' ' HIS . . . . . 0.441 ' ND1' ' N ' ' A' ' 85' ' ' HIS . 11.7 p-80 -121.52 28.43 7.72 Favored 'General case' 0 N--CA 1.498 1.928 0 O-C-N 121.645 -0.66 . . . . 0.0 109.364 -179.942 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 86' ' ' GLU . . . . . 0.572 ' O ' ' CD1' ' A' ' 87' ' ' PHE . 86.2 tt0 -70.01 -26.12 63.91 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.36 -0.838 . . . . 0.0 109.962 -179.8 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 87' ' ' PHE . . . . . 0.602 ' O ' ' CD2' ' A' ' 87' ' ' PHE . 28.2 p90 45.26 104.73 0.0 OUTLIER 'General case' 0 N--CA 1.499 2.007 0 CA-C-O 121.979 0.895 . . . . 0.0 110.286 -178.987 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 96.0 m-85 -82.77 122.39 28.13 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 120.785 -1.197 . . . . 0.0 108.725 179.908 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 49.3 tp10 -97.69 104.48 16.51 Favored 'General case' 0 N--CA 1.496 1.844 0 O-C-N 121.138 -0.976 . . . . 0.0 109.098 -179.826 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 45.1 m80 -73.67 149.85 41.67 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.234 -0.917 . . . . 0.0 109.07 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 . . . . . 0 N--CA 1.491 1.583 0 CA-C-O 118.031 -0.985 . . . . 0.0 109.525 -179.958 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 0' ' ' MET . . . . . . . . . . . . . 96.0 mtp . . . . . 0 N--CA 1.49 1.536 0 N-CA-C 109.363 -0.606 . . . . 0.0 109.363 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 1.5 t -76.81 0.89 19.02 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.204 -0.935 . . . . 0.0 109.278 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 95.3 mt-10 -59.95 -31.36 69.8 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.332 -0.855 . . . . 0.0 109.086 179.622 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 67.4 tp -59.91 -48.68 80.71 Favored 'General case' 0 N--CA 1.488 1.445 0 O-C-N 121.386 -0.821 . . . . 0.0 109.108 -179.657 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 85.4 tt0 -60.05 -40.24 88.74 Favored 'General case' 0 C--N 1.302 -1.457 0 O-C-N 121.168 -0.958 . . . . 0.0 109.2 179.514 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 16.8 mtpp -67.28 -36.16 80.98 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.483 -0.76 . . . . 0.0 109.721 -179.936 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -60.0 -43.42 95.2 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.286 -0.884 . . . . 0.0 109.982 -178.813 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 7' ' ' MET . . . . . . . . . . . . . 57.8 mtt -59.97 -43.03 95.33 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 120.822 -1.174 . . . . 0.0 108.897 179.56 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 54.2 t -69.98 -40.05 78.16 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.46 0 O-C-N 121.306 -0.871 . . . . 0.0 109.06 179.457 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.06 -43.87 95.12 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.494 -0.754 . . . . 0.0 110.693 -179.212 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 1.5 mt -60.07 -49.72 76.56 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.0 -1.063 . . . . 0.0 109.505 -179.606 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 96.9 mt -60.45 -45.8 96.25 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.509 0 O-C-N 121.098 -1.001 . . . . 0.0 109.866 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 95.9 m-20 -61.33 -41.13 96.51 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.297 -0.877 . . . . 0.0 110.751 -178.568 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 54.1 t -70.04 -46.44 72.92 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.733 0 O-C-N 120.995 -1.065 . . . . 0.0 110.16 -179.209 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 14' ' ' PHE . . . . . . . . . . . . . 64.7 t80 -59.98 -41.07 91.21 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.256 -0.902 . . . . 0.0 110.165 -179.619 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 52.5 t-80 -60.75 -46.81 89.01 Favored 'General case' 0 C--N 1.301 -1.533 0 O-C-N 121.309 -0.869 . . . . 0.0 110.838 -179.227 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 74.3 mt-30 -60.32 -51.11 70.94 Favored 'General case' 0 N--CA 1.494 1.74 0 O-C-N 120.867 -1.146 . . . . 0.0 111.257 -178.724 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 65.0 m-85 -70.81 -37.57 73.26 Favored 'General case' 0 N--CA 1.494 1.743 0 O-C-N 120.942 -1.099 . . . . 0.0 110.432 -179.797 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 18' ' ' SER . . . . . 0.497 ' O ' ' O ' ' B' ' 23' ' ' ASP . 75.0 m -60.03 -41.43 92.22 Favored 'General case' 0 C--N 1.301 -1.508 0 O-C-N 121.153 -0.967 . . . . 0.0 110.082 -178.772 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -75.23 19.55 2.27 Favored Glycine 0 N--CA 1.494 2.526 0 O-C-N 120.997 -1.064 . . . . 0.0 110.647 -179.404 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 20' ' ' ARG . . . . . 0.444 ' NH1' ' OE1' ' B' ' 34' ' ' GLU . 66.7 ttt180 -59.96 -45.2 93.45 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.074 -1.25 . . . . 0.0 110.268 -179.723 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 21' ' ' GLU . . . . . 0.427 ' O ' ' C ' ' B' ' 22' ' ' GLY . 80.6 tt0 -164.58 114.44 1.17 Allowed 'General case' 0 N--CA 1.494 1.761 0 O-C-N 120.631 -1.293 . . . . 0.0 111.379 -179.628 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 22' ' ' GLY . . . . . 0.427 ' C ' ' O ' ' B' ' 21' ' ' GLU . . . 32.85 40.98 0.1 OUTLIER Glycine 0 N--CA 1.501 3.016 0 N-CA-C 111.886 -0.485 . . . . 0.0 111.886 178.247 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 23' ' ' ASP . . . . . 0.497 ' O ' ' O ' ' B' ' 18' ' ' SER . 35.4 m-20 -144.07 85.38 1.8 Allowed 'General case' 0 N--CA 1.499 1.993 0 O-C-N 120.892 -1.357 . . . . 0.0 109.265 179.875 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 4.2 mmmm -93.15 -41.58 9.85 Favored 'General case' 0 N--CA 1.495 1.801 0 O-C-N 120.864 -1.147 . . . . 0.0 110.462 -179.02 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 25' ' ' HIS . . . . . . . . . . . . . 42.9 p-80 -111.69 16.34 20.6 Favored 'General case' 0 N--CA 1.502 2.148 0 O-C-N 121.342 -0.849 . . . . 0.0 111.399 -178.062 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 61.1 mttm -139.98 144.89 37.23 Favored 'General case' 0 N--CA 1.498 1.951 0 O-C-N 121.164 -0.96 . . . . 0.0 109.038 178.521 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 2.0 tp -124.51 129.62 50.95 Favored 'General case' 0 N--CA 1.498 1.963 0 N-CA-C 108.216 -1.031 . . . . 0.0 108.216 179.898 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 43.8 pttt -110.4 -177.37 3.22 Favored 'General case' 0 N--CA 1.501 2.124 0 CA-C-O 121.97 0.891 . . . . 0.0 111.065 -178.747 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 37.3 mtmt -59.95 -40.07 87.73 Favored 'General case' 0 N--CA 1.496 1.873 0 N-CA-C 112.695 0.628 . . . . 0.0 112.695 -178.173 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 70.3 m -60.02 -41.53 92.4 Favored 'General case' 0 N--CA 1.496 1.83 0 O-C-N 120.662 -1.274 . . . . 0.0 110.558 -177.686 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 40.9 mt-10 -72.93 -39.99 65.81 Favored 'General case' 0 C--N 1.299 -1.611 0 O-C-N 121.094 -1.003 . . . . 0.0 110.68 179.925 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 54.2 tp -60.06 -40.74 90.5 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.264 -0.897 . . . . 0.0 109.211 -179.279 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 77.7 tttt -62.14 -40.96 97.7 Favored 'General case' 0 C--N 1.298 -1.654 0 O-C-N 121.569 -0.707 . . . . 0.0 110.844 -179.61 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 34' ' ' GLU . . . . . 0.444 ' OE1' ' NH1' ' B' ' 20' ' ' ARG . 80.9 tt0 -65.85 -40.01 91.3 Favored 'General case' 0 N--CA 1.496 1.863 0 O-C-N 121.089 -1.007 . . . . 0.0 111.285 -178.474 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 16.7 mt -66.73 -40.01 88.21 Favored 'General case' 0 N--CA 1.496 1.868 0 O-C-N 120.899 -1.126 . . . . 0.0 110.749 -179.126 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 91.7 mt -66.14 -39.94 85.73 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.679 0 O-C-N 120.885 -1.134 . . . . 0.0 110.757 -178.762 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 9.9 t-20 -79.07 -19.6 50.91 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.037 -1.039 . . . . 0.0 110.695 -179.284 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -65.91 -60.01 3.28 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 120.983 -1.073 . . . . 0.0 111.56 -178.207 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 1.5 pm0 -149.26 22.65 0.94 Allowed 'General case' 0 N--CA 1.502 2.15 0 O-C-N 120.51 -1.369 . . . . 0.0 111.297 -179.416 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 5.1 mt -127.77 16.3 6.91 Favored 'General case' 0 N--CA 1.506 2.343 0 O-C-N 121.032 -1.042 . . . . 0.0 109.676 -179.929 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 80.5 p -70.03 -36.13 74.82 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 120.961 -1.087 . . . . 0.0 110.175 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 42' ' ' HIS . . . . . . . . . . . . . 16.8 m170 -61.27 -40.2 93.23 Favored 'General case' 0 N--CA 1.497 1.882 0 O-C-N 121.113 -0.992 . . . . 0.0 111.144 -178.899 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 42.1 m-85 -61.64 -47.18 86.54 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 120.832 -1.168 . . . . 0.0 110.416 -178.887 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 90.1 mt -93.66 -72.02 0.63 Allowed 'General case' 0 N--CA 1.495 1.819 0 O-C-N 121.005 -1.059 . . . . 0.0 109.803 -179.887 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 1.4 tm-20 63.93 3.83 1.78 Allowed 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.278 -0.889 . . . . 0.0 109.12 -179.653 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 2.6 tm-20 -94.38 -1.37 53.84 Favored 'General case' 0 N--CA 1.496 1.835 0 O-C-N 121.349 -0.845 . . . . 0.0 109.07 179.907 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 7.1 mm -79.49 129.6 37.32 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.572 0 O-C-N 121.14 -0.975 . . . . 0.0 109.686 -179.507 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 4.5 tmtm? -153.57 -39.41 0.1 Allowed 'General case' 0 N--CA 1.49 1.551 0 N-CA-C 108.64 -0.874 . . . . 0.0 108.64 179.686 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -108.28 144.91 35.13 Favored 'General case' 0 N--CA 1.499 1.987 0 O-C-N 121.499 -0.75 . . . . 0.0 109.961 -179.735 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 26.6 mm100 -67.99 -28.93 67.85 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.438 -0.789 . . . . 0.0 109.92 -179.73 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 41.3 tt0 -59.97 -39.98 87.53 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.19 -0.944 . . . . 0.0 109.756 -179.202 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 54.3 t -59.89 -41.61 86.46 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.613 0 O-C-N 121.234 -0.916 . . . . 0.0 110.178 -179.072 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 53.8 t -60.8 -40.88 86.52 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.728 0 O-C-N 120.901 -1.124 . . . . 0.0 109.589 -179.686 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 80.0 m-20 -62.24 -41.33 98.33 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.248 -0.908 . . . . 0.0 110.3 -179.159 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 74.4 tttt -63.66 -40.07 95.91 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.398 -0.814 . . . . 0.0 110.311 -179.24 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 76.6 t -61.64 -41.06 88.88 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.524 0 O-C-N 121.216 -0.928 . . . . 0.0 110.212 -179.042 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 57' ' ' MET . . . . . 0.481 ' SD ' ' SG ' ' B' ' 68' ' ' CYS . 88.1 mmm -62.89 -40.01 96.22 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.277 -0.889 . . . . 0.0 110.972 -179.063 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 4.5 tm-20 -67.64 -39.99 84.62 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.146 -0.971 . . . . 0.0 110.413 -178.747 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 98.9 m -68.06 -40.01 82.86 Favored 'General case' 0 N--CA 1.495 1.811 0 O-C-N 121.137 -0.977 . . . . 0.0 110.943 -179.733 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 15.3 tp -67.89 -19.78 65.04 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.184 -0.948 . . . . 0.0 109.572 -178.838 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 61' ' ' ASP . . . . . 0.476 ' CG ' ' H ' ' B' ' 66' ' ' GLY . 36.4 t70 -74.29 81.61 1.86 Allowed 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.217 -0.927 . . . . 0.0 111.341 -178.853 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 86.8 mt-10 -87.81 -23.2 24.11 Favored 'General case' 0 N--CA 1.497 1.891 0 O-C-N 121.111 -0.993 . . . . 0.0 109.002 178.323 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 63' ' ' ASP . . . . . 0.438 ' N ' ' OD1' ' B' ' 63' ' ' ASP . 29.1 p-10 -82.08 -2.24 51.22 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.278 -0.889 . . . . 0.0 110.187 -179.526 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 68.68 31.83 73.77 Favored Glycine 0 N--CA 1.494 2.559 0 C-N-CA 119.943 -1.123 . . . . 0.0 110.32 179.205 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 9.6 t70 -94.78 -36.68 11.59 Favored 'General case' 0 N--CA 1.497 1.876 0 O-C-N 121.151 -1.205 . . . . 0.0 110.04 -179.583 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 66' ' ' GLY . . . . . 0.476 ' H ' ' CG ' ' B' ' 61' ' ' ASP . . . 90.24 -2.27 80.96 Favored Glycine 0 N--CA 1.499 2.882 0 O-C-N 120.989 -1.07 . . . . 0.0 110.81 179.244 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 60.8 mm-40 -134.58 157.64 46.06 Favored 'General case' 0 N--CA 1.501 2.075 0 O-C-N 121.235 -1.156 . . . . 0.0 108.317 179.438 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 68' ' ' CYS . . . . . 0.481 ' SG ' ' SD ' ' B' ' 57' ' ' MET . 59.3 m -92.19 107.9 19.55 Favored 'General case' 0 N--CA 1.495 1.801 0 O-C-N 120.889 -1.132 . . . . 0.0 109.705 -179.487 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 94.5 m-20 -89.67 168.32 12.21 Favored 'General case' 0 N--CA 1.494 1.772 0 O-C-N 121.025 -1.047 . . . . 0.0 109.241 179.695 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 69.1 t80 -60.0 -39.92 87.44 Favored 'General case' 0 C--N 1.3 -1.547 0 O-C-N 121.363 -0.836 . . . . 0.0 109.6 -179.912 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 51.5 tt0 -60.04 -49.66 76.78 Favored 'General case' 0 N--CA 1.494 1.754 0 O-C-N 121.271 -0.893 . . . . 0.0 110.807 -178.855 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -70.05 -26.88 64.23 Favored 'General case' 0 N--CA 1.499 1.987 0 O-C-N 120.833 -1.167 . . . . 0.0 108.87 -179.787 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 73' ' ' PHE . . . . . . . . . . . . . 47.8 t80 -59.98 -46.75 88.43 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.474 -0.766 . . . . 0.0 109.84 -178.871 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 74' ' ' MET . . . . . . . . . . . . . 96.8 mmm -60.01 -39.28 85.25 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.113 -0.992 . . . . 0.0 109.03 179.619 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -59.78 -36.1 76.01 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.321 -0.862 . . . . 0.0 109.672 -179.642 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 84.8 t80 -59.97 -41.78 92.71 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 120.932 -1.105 . . . . 0.0 109.217 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 77' ' ' VAL . . . . . . . . . . . . . 54.6 t -60.04 -40.97 84.7 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.418 0 O-C-N 121.036 -1.04 . . . . 0.0 108.674 179.225 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 78' ' ' SER . . . . . . . . . . . . . 36.9 t -63.61 -46.01 87.71 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.38 -0.825 . . . . 0.0 110.043 -179.853 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 79' ' ' MET . . . . . . . . . . . . . 95.9 mtp -60.29 -40.1 89.28 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.018 -1.051 . . . . 0.0 109.814 -179.585 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 54.5 t -69.46 -40.1 79.43 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.547 0 O-C-N 121.231 -0.918 . . . . 0.0 109.265 179.764 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 15.5 m -64.86 -44.12 90.77 Favored 'General case' 0 C--N 1.302 -1.475 0 O-C-N 121.341 -0.849 . . . . 0.0 109.608 -179.662 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 62.7 p -70.36 -39.98 74.29 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.076 -1.015 . . . . 0.0 110.051 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -60.04 -47.52 85.5 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.17 -0.956 . . . . 0.0 109.534 -179.701 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 84' ' ' CYS . . . . . 0.432 ' SG ' ' O ' ' B' ' 84' ' ' CYS . 26.4 p -80.78 110.87 16.7 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.293 -0.879 . . . . 0.0 109.457 179.835 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 85' ' ' HIS . . . . . 0.441 ' ND1' ' N ' ' B' ' 85' ' ' HIS . 11.7 p-80 -121.5 28.35 7.77 Favored 'General case' 0 N--CA 1.499 1.977 0 O-C-N 121.634 -0.666 . . . . 0.0 109.354 -179.865 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 86' ' ' GLU . . . . . 0.572 ' O ' ' CD1' ' B' ' 87' ' ' PHE . 86.4 tt0 -70.05 -26.24 63.93 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.418 -0.801 . . . . 0.0 109.949 -179.777 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 87' ' ' PHE . . . . . 0.589 ' O ' ' CD2' ' B' ' 87' ' ' PHE . 28.4 p90 45.36 104.59 0.0 OUTLIER 'General case' 0 N--CA 1.499 1.98 0 CA-C-O 122.014 0.912 . . . . 0.0 110.325 -178.95 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 96.0 m-85 -82.66 122.86 28.67 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 120.796 -1.19 . . . . 0.0 108.711 179.854 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 49.6 tp10 -98.58 101.57 13.04 Favored 'General case' 0 N--CA 1.495 1.809 0 O-C-N 121.141 -0.975 . . . . 0.0 109.489 -179.635 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 90' ' ' HIS . . . . . . . . . . . . . 34.2 m80 -69.97 150.05 47.11 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.199 -0.938 . . . . 0.0 109.579 179.326 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 . . . . . 0 N--CA 1.491 1.608 0 O-C-N 121.113 -0.992 . . . . 0.0 109.374 179.772 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 92' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 93' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 92' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 93' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 3.5 mmt . . . . . 0 N--CA 1.489 1.501 0 N-CA-C 109.345 -0.613 . . . . 0.0 109.345 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 33.0 p -71.8 -7.25 47.12 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.298 -0.876 . . . . 0.0 109.977 -179.684 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 48.1 mt-10 -60.01 -27.8 67.19 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.273 -0.892 . . . . 0.0 110.628 -179.359 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.509 ' O ' ' SD ' ' A' ' 7' ' ' MET . 1.1 mp -54.29 -50.84 66.36 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 120.779 -1.2 . . . . 0.0 108.957 -179.589 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 4' ' ' GLU . . . . . 0.406 ' OE2' HD23 ' B' ' 40' ' ' LEU . 61.6 mm-40 -60.32 -41.08 92.75 Favored 'General case' 0 N--CA 1.494 1.767 0 O-C-N 121.041 -1.037 . . . . 0.0 110.202 179.901 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 28.5 tptt -60.21 -40.03 88.68 Favored 'General case' 0 N--CA 1.488 1.463 0 O-C-N 121.231 -0.918 . . . . 0.0 109.39 -179.109 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -62.45 -50.1 72.8 Favored 'General case' 0 N--CA 1.495 1.79 0 O-C-N 121.293 -0.879 . . . . 0.0 110.869 -179.567 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' MET . . . . . 0.509 ' SD ' ' O ' ' A' ' 3' ' ' LEU . 3.6 mpp? -60.42 -40.24 90.34 Favored 'General case' 0 N--CA 1.495 1.806 0 O-C-N 120.74 -1.225 . . . . 0.0 109.828 -179.427 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 54.6 t -60.64 -40.14 83.72 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.487 0 O-C-N 121.223 -0.923 . . . . 0.0 109.739 -179.406 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.484 ' O ' HG23 ' A' ' 13' ' ' VAL . . . -66.62 -40.16 88.66 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.139 -0.976 . . . . 0.0 110.304 -179.345 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 39.2 mt -65.22 -41.35 94.52 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.065 -1.022 . . . . 0.0 110.512 -179.445 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 96.9 mt -69.63 -47.27 72.22 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.661 0 O-C-N 121.004 -1.06 . . . . 0.0 110.222 -179.539 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 9.3 t0 -61.62 -40.24 94.15 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.177 -0.952 . . . . 0.0 110.612 -179.23 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.484 HG23 ' O ' ' A' ' 9' ' ' ALA . 78.1 t -66.9 -41.11 87.15 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.683 0 O-C-N 121.039 -1.038 . . . . 0.0 110.64 -178.893 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 60.0 t80 -59.87 -46.89 87.85 Favored 'General case' 0 N--CA 1.494 1.745 0 O-C-N 120.781 -1.199 . . . . 0.0 110.172 -179.001 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 85.3 t60 -59.97 -41.27 91.59 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.297 -0.877 . . . . 0.0 111.634 -179.127 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 96.0 mt-30 -61.25 -50.58 72.48 Favored 'General case' 0 N--CA 1.494 1.766 0 O-C-N 120.85 -1.156 . . . . 0.0 111.133 -177.982 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 55.9 m-85 -70.1 -38.92 75.76 Favored 'General case' 0 N--CA 1.495 1.792 0 O-C-N 121.036 -1.04 . . . . 0.0 110.539 -179.703 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 77.2 p -60.02 -42.09 93.58 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 120.929 -1.107 . . . . 0.0 109.527 -179.152 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -74.04 -41.55 39.69 Favored Glycine 0 N--CA 1.49 2.238 0 N-CA-C 109.969 -1.252 . . . . 0.0 109.969 -179.872 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 2.8 tpm_? -60.09 -43.89 95.19 Favored 'General case' 0 N--CA 1.494 1.751 0 O-C-N 121.154 -1.203 . . . . 0.0 109.953 -179.263 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.455 ' CD ' ' N ' ' A' ' 22' ' ' GLY . 14.9 tm-20 -168.74 147.36 4.11 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.023 -1.048 . . . . 0.0 109.786 -179.501 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 22' ' ' GLY . . . . . 0.455 ' N ' ' CD ' ' A' ' 21' ' ' GLU . . . 99.93 69.91 0.91 Allowed Glycine 0 N--CA 1.496 2.641 0 N-CA-C 109.434 -1.466 . . . . 0.0 109.434 179.739 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 23' ' ' ASP . . . . . 0.42 ' O ' ' O ' ' A' ' 22' ' ' GLY . 82.0 m-20 51.38 177.36 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.455 -1.026 . . . . 0.0 110.102 179.646 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 9.2 mtmp? -95.03 -32.25 13.22 Favored 'General case' 0 N--CA 1.495 1.788 0 O-C-N 121.304 -0.873 . . . . 0.0 110.503 -179.427 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' HIS . . . . . 0.466 ' N ' ' ND1' ' A' ' 25' ' ' HIS . 13.8 p-80 -134.37 20.97 3.68 Favored 'General case' 0 N--CA 1.499 1.984 0 O-C-N 121.225 -0.922 . . . . 0.0 110.703 -178.612 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 25.5 mtpp -134.26 151.49 51.31 Favored 'General case' 0 N--CA 1.501 2.108 0 O-C-N 121.194 -0.941 . . . . 0.0 109.063 179.794 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 11.8 tp -99.55 128.63 45.67 Favored 'General case' 0 N--CA 1.498 1.966 0 O-C-N 121.292 -0.88 . . . . 0.0 109.45 -179.287 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 30.1 mmtm -106.6 173.58 6.26 Favored 'General case' 0 N--CA 1.497 1.89 0 O-C-N 121.563 -0.71 . . . . 0.0 109.737 179.906 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 65.0 mttm -60.0 -38.88 83.9 Favored 'General case' 0 N--CA 1.494 1.737 0 O-C-N 121.652 -0.655 . . . . 0.0 110.435 -179.156 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 67.9 m -60.1 -39.97 88.03 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.319 -0.863 . . . . 0.0 110.359 -177.827 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 -67.7 -40.01 84.35 Favored 'General case' 0 N--CA 1.488 1.428 0 O-C-N 120.858 -1.151 . . . . 0.0 109.466 -179.88 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 41.6 tp -61.9 -48.98 78.05 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.269 -0.894 . . . . 0.0 109.37 179.626 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 14.3 ttmm -59.96 -44.52 94.38 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.415 -0.803 . . . . 0.0 109.99 -179.095 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' GLU . . . . . 0.463 ' O ' ' ND2' ' A' ' 38' ' ' ASN . 67.9 mm-40 -69.67 -39.74 76.84 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.152 -0.968 . . . . 0.0 109.643 179.925 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 64.3 tp -60.02 -47.45 85.8 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.099 -1.001 . . . . 0.0 109.573 -178.809 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 91.6 mt -63.54 -39.99 87.37 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.759 0 O-C-N 120.947 -1.096 . . . . 0.0 109.637 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' ASN . . . . . 0.439 ' O ' ' O ' ' A' ' 38' ' ' ASN . 14.7 t-20 -65.31 -32.64 74.4 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.365 -0.834 . . . . 0.0 110.578 -179.505 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 38' ' ' ASN . . . . . 0.463 ' ND2' ' O ' ' A' ' 34' ' ' GLU . 4.1 m120 -41.34 -95.89 0.0 OUTLIER 'General case' 0 N--CA 1.498 1.957 0 O-C-N 121.39 -0.819 . . . . 0.0 111.012 -178.565 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 39' ' ' GLU . . . . . 0.407 ' OE1' ' CG ' ' B' ' 4' ' ' GLU . 44.8 tt0 -110.27 -25.91 9.88 Favored 'General case' 0 N--CA 1.501 2.107 0 O-C-N 121.242 -0.911 . . . . 0.0 110.136 -179.24 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 82.6 mt -62.33 121.54 13.43 Favored 'General case' 0 C--N 1.302 -1.466 0 O-C-N 120.842 -1.161 . . . . 0.0 109.183 -178.897 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' SER . . . . . 0.447 ' O ' ' O ' ' A' ' 44' ' ' LEU . 80.7 p -163.18 -44.87 0.03 OUTLIER 'General case' 0 N--CA 1.488 1.437 0 O-C-N 121.591 -0.693 . . . . 0.0 109.2 -179.85 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 55.7 t-80 -60.03 -45.48 92.68 Favored 'General case' 0 N--CA 1.488 1.436 0 O-C-N 121.002 -1.061 . . . . 0.0 109.289 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 42.9 m-85 -64.68 -43.64 92.91 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.403 -0.811 . . . . 0.0 109.966 -179.831 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.447 ' O ' ' O ' ' A' ' 41' ' ' SER . 28.2 mt -131.93 141.97 49.5 Favored 'General case' 0 N--CA 1.5 2.029 0 O-C-N 121.499 -0.751 . . . . 0.0 109.042 -179.819 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -59.95 161.08 6.99 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.181 -0.95 . . . . 0.0 109.06 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -63.28 167.47 5.2 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.178 -0.951 . . . . 0.0 109.297 -179.901 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 44.1 mm -77.78 112.04 15.29 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.499 0 O-C-N 121.179 -0.951 . . . . 0.0 110.177 -178.64 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 21.3 ttpp -91.2 -76.25 0.45 Allowed 'General case' 0 N--CA 1.492 1.67 0 N-CA-C 108.921 -0.77 . . . . 0.0 108.921 179.488 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 42.5 mt-10 -101.53 148.53 25.09 Favored 'General case' 0 N--CA 1.499 2.001 0 O-C-N 121.299 -0.876 . . . . 0.0 109.667 179.691 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 37.4 tt0 -60.18 -27.85 67.47 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.356 -0.84 . . . . 0.0 109.305 179.79 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 66.0 mm-40 -54.53 -40.07 68.26 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.393 -0.817 . . . . 0.0 109.462 -179.137 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 53.0 t -59.99 -45.56 95.21 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.408 0 O-C-N 121.156 -0.965 . . . . 0.0 108.906 -179.928 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 76.3 t -61.65 -45.13 99.31 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.548 0 O-C-N 121.446 -0.784 . . . . 0.0 109.366 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 96.2 m-20 -60.61 -40.04 90.42 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.1 -1.0 . . . . 0.0 110.002 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 35.7 ttpt -65.57 -40.04 92.33 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.161 -0.962 . . . . 0.0 109.907 -179.566 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 62.0 t -67.39 -48.37 77.78 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.634 0 O-C-N 121.233 -0.917 . . . . 0.0 109.822 -179.3 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 99.7 mtp -68.68 -39.97 80.31 Favored 'General case' 0 N--CA 1.494 1.741 0 O-C-N 121.267 -0.896 . . . . 0.0 110.361 -179.135 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 54.5 tp10 -64.58 -39.95 94.66 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.345 -0.847 . . . . 0.0 110.89 -178.814 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 92.5 m -68.51 -49.98 55.6 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 120.984 -1.073 . . . . 0.0 111.08 -178.418 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 27.4 tp -78.86 -59.17 2.89 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.121 -0.987 . . . . 0.0 110.839 -178.325 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 61' ' ' ASP . . . . . 0.437 ' OD1' ' N ' ' A' ' 64' ' ' GLY . 16.0 t0 -81.47 89.66 6.17 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 121.217 -0.927 . . . . 0.0 110.677 -177.451 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 43.0 tt0 -69.75 -40.05 76.38 Favored 'General case' 0 C--N 1.302 -1.459 0 O-C-N 121.346 -0.847 . . . . 0.0 109.02 179.091 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 28.2 p-10 -98.39 16.46 21.58 Favored 'General case' 0 N--CA 1.494 1.764 0 O-C-N 121.337 -0.852 . . . . 0.0 109.96 -179.273 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 64' ' ' GLY . . . . . 0.446 ' O ' ' OD1' ' A' ' 65' ' ' ASP . . . -48.08 -27.94 5.55 Favored Glycine 0 N--CA 1.493 2.464 0 N-CA-C 110.01 -1.236 . . . . 0.0 110.01 -179.265 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 65' ' ' ASP . . . . . 0.446 ' OD1' ' O ' ' A' ' 64' ' ' GLY . 2.3 p-10 45.5 26.92 0.34 Allowed 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.352 -1.087 . . . . 0.0 109.971 179.773 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 83.05 -1.31 88.91 Favored Glycine 0 N--CA 1.492 2.425 0 N-CA-C 110.227 -1.149 . . . . 0.0 110.227 179.429 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.406 ' OE2' ' C ' ' A' ' 68' ' ' CYS . 4.0 tm-20 -140.06 137.37 34.5 Favored 'General case' 0 N--CA 1.497 1.909 0 O-C-N 121.15 -1.206 . . . . 0.0 109.194 179.842 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 68' ' ' CYS . . . . . 0.406 ' C ' ' OE2' ' A' ' 67' ' ' GLU . 8.6 m -109.93 133.99 52.57 Favored 'General case' 0 N--CA 1.499 2.011 0 O-C-N 121.504 -0.748 . . . . 0.0 109.984 -179.123 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 84.4 m-20 -89.37 170.55 10.46 Favored 'General case' 0 N--CA 1.495 1.776 0 O-C-N 121.412 -0.805 . . . . 0.0 110.155 -179.864 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 9.1 t80 -57.81 -45.33 86.25 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.455 -0.778 . . . . 0.0 109.048 -179.417 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 30.4 tt0 -60.53 -41.07 93.67 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 121.127 -0.983 . . . . 0.0 108.911 179.467 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 72' ' ' GLU . . . . . 0.401 ' OE1' ' OD1' ' A' ' 61' ' ' ASP . 43.8 mt-10 -64.41 -40.05 95.03 Favored 'General case' 0 N--CA 1.49 1.546 0 N-CA-C 108.768 -0.827 . . . . 0.0 108.768 179.632 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 36.1 t80 -60.32 -40.02 89.11 Favored 'General case' 0 N--CA 1.488 1.473 0 N-CA-C 109.079 -0.712 . . . . 0.0 109.079 179.033 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 10.7 tpt -60.03 -39.92 87.54 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 121.268 -0.895 . . . . 0.0 109.283 -179.399 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -60.08 -38.18 82.12 Favored 'General case' 0 N--CA 1.495 1.804 0 O-C-N 121.353 -0.842 . . . . 0.0 110.38 179.853 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 63.6 t80 -60.03 -39.1 84.7 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.168 -0.958 . . . . 0.0 109.221 -178.943 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 54.4 t -60.03 -40.04 82.05 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.527 0 O-C-N 121.304 -0.873 . . . . 0.0 109.227 -179.866 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 86.3 p -59.93 -39.93 87.19 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.083 -1.011 . . . . 0.0 110.507 -179.081 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 48.6 ttm -60.06 -42.14 93.85 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 120.897 -1.127 . . . . 0.0 109.735 -179.912 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 54.4 t -60.6 -42.37 91.41 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.494 0 O-C-N 121.221 -0.924 . . . . 0.0 109.695 -179.489 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 94.6 m -62.97 -49.14 75.88 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.149 -0.969 . . . . 0.0 109.899 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 75.3 p -72.55 -39.38 67.51 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.167 -0.958 . . . . 0.0 109.882 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 83' ' ' ALA . . . . . 0.584 ' O ' ' N ' ' A' ' 85' ' ' HIS . . . -53.21 -19.94 3.55 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.318 -0.864 . . . . 0.0 110.211 -179.151 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 51.7 t -51.09 85.76 0.0 OUTLIER 'General case' 0 N--CA 1.494 1.752 0 O-C-N 121.34 -0.85 . . . . 0.0 109.722 -179.611 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 85' ' ' HIS . . . . . 0.584 ' N ' ' O ' ' A' ' 83' ' ' ALA . 85.5 t60 -69.01 -40.37 78.72 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.446 -0.784 . . . . 0.0 110.044 -179.559 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -89.75 125.73 35.4 Favored 'General case' 0 N--CA 1.496 1.829 0 O-C-N 121.332 -0.855 . . . . 0.0 110.367 -179.159 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -94.86 154.63 17.15 Favored 'General case' 0 N--CA 1.497 1.892 0 O-C-N 121.238 -0.914 . . . . 0.0 109.166 179.306 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 83.9 m-85 -83.7 -0.26 50.03 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.476 -0.765 . . . . 0.0 109.014 -179.85 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 50.0 mt-10 -63.57 117.71 7.16 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.313 -0.867 . . . . 0.0 109.406 -179.67 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 12.8 m-70 -77.12 150.84 35.57 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.216 -0.927 . . . . 0.0 109.355 179.768 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 91' ' ' GLU . . . . . 0.611 ' CD ' ' H ' ' A' ' 91' ' ' GLU . 0.7 OUTLIER . . . . . 0 N--CA 1.492 1.674 0 CA-C-O 118.038 -0.982 . . . . 0.0 109.242 179.707 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 0' ' ' MET . . . . . . . . . . . . . 3.4 mmt . . . . . 0 N--CA 1.491 1.578 0 CA-C-O 121.323 0.582 . . . . 0.0 109.453 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 33.3 p -72.07 -6.88 45.62 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.28 -0.887 . . . . 0.0 109.917 -179.715 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 48.8 mt-10 -60.02 -28.37 67.67 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.288 -0.882 . . . . 0.0 110.635 -179.558 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 3' ' ' LEU . . . . . 0.502 ' O ' ' SD ' ' B' ' 7' ' ' MET . 1.4 mp -54.21 -50.6 66.73 Favored 'General case' 0 N--CA 1.494 1.752 0 O-C-N 120.648 -1.283 . . . . 0.0 108.924 -179.659 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 4' ' ' GLU . . . . . 0.407 ' CG ' ' OE1' ' A' ' 39' ' ' GLU . 61.8 mm-40 -60.03 -41.2 91.72 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 120.989 -1.069 . . . . 0.0 110.217 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 28.2 tptt -60.34 -39.95 88.93 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.241 -0.912 . . . . 0.0 109.406 -179.115 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -62.48 -50.13 72.63 Favored 'General case' 0 N--CA 1.494 1.736 0 O-C-N 121.396 -0.815 . . . . 0.0 110.794 -179.349 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 7' ' ' MET . . . . . 0.502 ' SD ' ' O ' ' B' ' 3' ' ' LEU . 3.5 mpp? -60.27 -40.29 89.86 Favored 'General case' 0 N--CA 1.496 1.844 0 O-C-N 120.858 -1.151 . . . . 0.0 109.821 -179.515 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 58.0 t -61.0 -40.05 84.27 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.464 0 O-C-N 121.224 -0.922 . . . . 0.0 109.8 -179.398 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 9' ' ' ALA . . . . . 0.429 ' O ' HG23 ' B' ' 13' ' ' VAL . . . -66.36 -40.91 90.07 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.193 -0.942 . . . . 0.0 110.292 -179.564 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 49.0 mt -64.27 -42.05 96.62 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 121.113 -0.992 . . . . 0.0 110.498 -179.407 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 96.8 mt -69.34 -47.45 73.17 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.676 0 O-C-N 121.019 -1.05 . . . . 0.0 110.319 -179.367 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 9.3 t0 -61.53 -40.07 93.31 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.131 -0.98 . . . . 0.0 110.596 -179.214 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 13' ' ' VAL . . . . . 0.429 HG23 ' O ' ' B' ' 9' ' ' ALA . 53.9 t -67.04 -40.91 86.52 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.678 0 O-C-N 121.028 -1.045 . . . . 0.0 110.572 -178.906 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 14' ' ' PHE . . . . . . . . . . . . . 58.7 t80 -60.08 -46.76 88.5 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 120.746 -1.221 . . . . 0.0 110.14 -178.956 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 86.1 t60 -59.96 -41.54 92.17 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.348 -0.845 . . . . 0.0 111.718 -179.074 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 97.6 mt-30 -61.09 -50.5 73.03 Favored 'General case' 0 N--CA 1.495 1.79 0 O-C-N 120.775 -1.203 . . . . 0.0 111.148 -178.155 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 53.5 m-85 -70.09 -39.16 75.74 Favored 'General case' 0 N--CA 1.495 1.778 0 O-C-N 120.984 -1.072 . . . . 0.0 110.571 -179.609 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 60.2 p -60.04 -41.17 91.71 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.032 -1.043 . . . . 0.0 109.722 -179.143 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -75.4 -40.87 31.99 Favored Glycine 0 N--CA 1.488 2.133 0 N-CA-C 109.994 -1.242 . . . . 0.0 109.994 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 2.7 tpm_? -59.97 -43.64 94.95 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.109 -1.23 . . . . 0.0 109.798 -179.493 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 21' ' ' GLU . . . . . 0.457 ' CD ' ' N ' ' B' ' 22' ' ' GLY . 15.2 tm-20 -169.19 147.69 3.83 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.072 -1.017 . . . . 0.0 109.774 -179.689 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 22' ' ' GLY . . . . . 0.457 ' N ' ' CD ' ' B' ' 21' ' ' GLU . . . 99.88 69.79 0.91 Allowed Glycine 0 N--CA 1.494 2.554 0 N-CA-C 109.497 -1.441 . . . . 0.0 109.497 179.778 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 23' ' ' ASP . . . . . 0.488 ' OD2' ' NZ ' ' B' ' 28' ' ' LYS . 81.3 m-20 51.15 177.95 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.39 -1.065 . . . . 0.0 109.915 179.864 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 9.2 mtmp? -95.75 -31.62 13.12 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 121.449 -0.782 . . . . 0.0 110.484 -179.309 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 25' ' ' HIS . . . . . 0.479 ' ND1' ' N ' ' B' ' 25' ' ' HIS . 12.4 p-80 -134.59 20.75 3.6 Favored 'General case' 0 N--CA 1.499 1.983 0 O-C-N 121.282 -0.886 . . . . 0.0 110.662 -178.739 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 25.1 mtpp -134.16 151.83 51.54 Favored 'General case' 0 N--CA 1.5 2.073 0 O-C-N 121.197 -0.939 . . . . 0.0 108.919 179.871 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 11.9 tp -99.84 128.34 45.94 Favored 'General case' 0 N--CA 1.498 1.953 0 O-C-N 121.154 -0.966 . . . . 0.0 109.373 -179.186 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 28' ' ' LYS . . . . . 0.488 ' NZ ' ' OD2' ' B' ' 23' ' ' ASP . 30.3 mmtm -106.24 173.91 6.11 Favored 'General case' 0 N--CA 1.498 1.954 0 O-C-N 121.427 -0.795 . . . . 0.0 109.635 179.897 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 65.7 mttm -60.05 -39.08 84.73 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.508 -0.745 . . . . 0.0 110.45 -179.193 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 55.3 m -60.04 -39.96 87.71 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.27 -0.894 . . . . 0.0 110.394 -177.812 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -67.33 -40.69 85.94 Favored 'General case' 0 C--N 1.302 -1.475 0 O-C-N 120.817 -1.177 . . . . 0.0 109.563 179.852 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 35.8 tp -61.26 -49.34 77.48 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.265 -0.897 . . . . 0.0 109.28 179.836 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 13.8 ttmm -59.96 -43.85 94.79 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.358 -0.839 . . . . 0.0 110.087 -178.953 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 34' ' ' GLU . . . . . 0.467 ' O ' ' ND2' ' B' ' 38' ' ' ASN . 68.1 mm-40 -70.01 -39.85 75.58 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.222 -0.923 . . . . 0.0 109.674 179.767 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 61.7 tp -60.02 -46.55 89.14 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.254 -0.904 . . . . 0.0 109.925 -179.12 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 96.2 mt -64.4 -40.01 87.58 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.624 0 O-C-N 121.024 -1.047 . . . . 0.0 109.548 179.892 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 37' ' ' ASN . . . . . 0.428 ' O ' ' O ' ' B' ' 38' ' ' ASN . 14.9 t-20 -65.27 -32.32 73.92 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.311 -0.868 . . . . 0.0 110.598 -179.586 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 38' ' ' ASN . . . . . 0.467 ' ND2' ' O ' ' B' ' 34' ' ' GLU . 4.1 m120 -41.6 -95.28 0.0 OUTLIER 'General case' 0 N--CA 1.497 1.877 0 O-C-N 121.255 -0.903 . . . . 0.0 111.078 -178.589 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 45.6 tt0 -111.06 -26.43 9.24 Favored 'General case' 0 N--CA 1.502 2.146 0 O-C-N 121.193 -0.942 . . . . 0.0 109.994 -179.375 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 40' ' ' LEU . . . . . 0.406 HD23 ' OE2' ' A' ' 4' ' ' GLU . 77.4 mt -61.31 121.98 13.96 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 120.889 -1.132 . . . . 0.0 108.859 -179.201 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 41' ' ' SER . . . . . 0.464 ' O ' ' O ' ' B' ' 44' ' ' LEU . 53.1 p -164.56 -44.87 0.03 OUTLIER 'General case' 0 C--N 1.304 -1.408 0 O-C-N 121.526 -0.733 . . . . 0.0 109.226 -179.567 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 42' ' ' HIS . . . . . . . . . . . . . 55.0 t-80 -60.1 -45.45 92.9 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 120.925 -1.11 . . . . 0.0 109.193 179.778 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 44.0 m-85 -64.68 -43.41 93.63 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.326 -0.859 . . . . 0.0 109.993 -179.862 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 44' ' ' LEU . . . . . 0.464 ' O ' ' O ' ' B' ' 41' ' ' SER . 33.5 mt -131.99 141.69 49.36 Favored 'General case' 0 N--CA 1.499 1.984 0 O-C-N 121.442 -0.786 . . . . 0.0 109.215 -179.656 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -60.01 160.59 7.75 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.241 -0.912 . . . . 0.0 109.027 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -63.03 167.49 4.8 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.178 -0.952 . . . . 0.0 109.283 -179.885 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 42.3 mm -77.85 112.21 15.56 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.573 0 O-C-N 121.27 -0.894 . . . . 0.0 110.161 -178.502 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 21.2 ttpp -91.36 -76.16 0.45 Allowed 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.465 -0.772 . . . . 0.0 108.966 179.515 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -101.62 148.64 24.99 Favored 'General case' 0 N--CA 1.5 2.056 0 O-C-N 121.288 -0.883 . . . . 0.0 109.795 179.573 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 37.6 tt0 -60.02 -28.19 67.54 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.27 -0.894 . . . . 0.0 109.363 179.787 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 66.1 mm-40 -54.35 -40.0 67.66 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.265 -0.897 . . . . 0.0 109.425 -179.112 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 54.0 t -59.98 -45.78 94.91 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.469 0 O-C-N 121.142 -0.974 . . . . 0.0 108.887 -179.855 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 76.5 t -61.66 -44.78 99.24 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.422 0 O-C-N 121.413 -0.804 . . . . 0.0 109.481 -179.898 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 96.1 m-20 -61.16 -40.15 92.81 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.164 -0.96 . . . . 0.0 110.045 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 35.5 ttpt -65.37 -40.08 93.09 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.139 -0.976 . . . . 0.0 109.851 -179.62 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 70.1 t -67.36 -47.48 80.91 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.59 0 O-C-N 121.213 -0.93 . . . . 0.0 110.069 -179.338 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 57' ' ' MET . . . . . . . . . . . . . 99.3 mtp -69.66 -40.0 76.73 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.249 -0.907 . . . . 0.0 110.171 -179.208 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 54.2 tp10 -64.47 -40.12 95.09 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.3 -0.875 . . . . 0.0 110.878 -178.956 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 94.3 m -67.81 -50.06 58.86 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.037 -1.039 . . . . 0.0 111.235 -178.472 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 16.4 tp -80.03 -58.84 2.96 Favored 'General case' 0 C--N 1.299 -1.607 0 O-C-N 121.211 -0.931 . . . . 0.0 110.978 -178.176 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 61' ' ' ASP . . . . . 0.432 ' OD1' ' N ' ' B' ' 64' ' ' GLY . 17.7 t0 -81.37 89.21 6.09 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.183 -0.948 . . . . 0.0 110.669 -177.727 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 43.9 tt0 -69.68 -39.99 76.65 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.369 -0.832 . . . . 0.0 109.057 179.197 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 28.3 p-10 -97.92 16.65 20.27 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 121.44 -0.788 . . . . 0.0 109.88 -179.505 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 64' ' ' GLY . . . . . 0.445 ' O ' ' OD1' ' B' ' 65' ' ' ASP . . . -48.34 -28.16 6.16 Favored Glycine 0 N--CA 1.492 2.376 0 N-CA-C 110.173 -1.171 . . . . 0.0 110.173 -179.124 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 65' ' ' ASP . . . . . 0.445 ' OD1' ' O ' ' B' ' 64' ' ' GLY . 2.2 p-10 45.66 26.95 0.38 Allowed 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.347 -1.09 . . . . 0.0 110.005 179.808 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 82.48 -0.35 89.23 Favored Glycine 0 N--CA 1.494 2.548 0 N-CA-C 110.131 -1.188 . . . . 0.0 110.131 179.441 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 67' ' ' GLU . . . . . 0.404 ' OE2' ' C ' ' B' ' 68' ' ' CYS . 4.0 tm-20 -140.41 136.97 33.62 Favored 'General case' 0 N--CA 1.498 1.94 0 O-C-N 121.198 -1.178 . . . . 0.0 109.236 179.893 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 68' ' ' CYS . . . . . 0.404 ' C ' ' OE2' ' B' ' 67' ' ' GLU . 11.2 m -109.61 134.01 52.44 Favored 'General case' 0 N--CA 1.501 2.09 0 O-C-N 121.566 -0.709 . . . . 0.0 110.051 -179.286 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 84.5 m-20 -89.69 170.43 10.45 Favored 'General case' 0 N--CA 1.496 1.838 0 O-C-N 121.351 -0.843 . . . . 0.0 110.064 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 8.8 t80 -57.66 -45.3 85.7 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.382 -0.824 . . . . 0.0 109.089 -179.446 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 30.6 tt0 -60.93 -40.65 94.03 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.135 -0.978 . . . . 0.0 108.983 179.583 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 72' ' ' GLU . . . . . 0.416 ' OE1' ' OD2' ' B' ' 61' ' ' ASP . 43.7 mt-10 -64.72 -39.97 94.55 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.307 -0.87 . . . . 0.0 108.774 179.674 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 73' ' ' PHE . . . . . . . . . . . . . 33.1 t80 -60.26 -39.89 88.38 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.605 -0.684 . . . . 0.0 109.199 178.913 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 74' ' ' MET . . . . . . . . . . . . . 10.5 tpt -60.07 -39.96 87.86 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.44 -0.787 . . . . 0.0 109.215 -179.477 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -60.06 -38.1 81.83 Favored 'General case' 0 N--CA 1.495 1.811 0 O-C-N 121.323 -0.861 . . . . 0.0 110.426 179.75 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 64.3 t80 -60.08 -39.14 85.06 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.173 -0.955 . . . . 0.0 109.108 -179.006 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 77' ' ' VAL . . . . . . . . . . . . . 54.5 t -60.05 -39.95 81.81 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.528 0 O-C-N 121.218 -0.926 . . . . 0.0 109.343 -179.891 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 78' ' ' SER . . . . . . . . . . . . . 85.9 p -59.97 -40.04 87.74 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.178 -0.951 . . . . 0.0 110.495 -179.252 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 79' ' ' MET . . . . . . . . . . . . . 48.1 ttm -59.96 -42.56 94.34 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 120.886 -1.134 . . . . 0.0 109.708 -179.849 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 54.5 t -60.01 -42.43 89.6 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.54 0 O-C-N 121.273 -0.892 . . . . 0.0 109.787 -179.529 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 94.5 m -62.86 -49.22 75.74 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.042 -1.036 . . . . 0.0 109.997 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 79.9 p -72.73 -39.47 66.87 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.2 -0.938 . . . . 0.0 109.844 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 83' ' ' ALA . . . . . 0.575 ' O ' ' N ' ' B' ' 85' ' ' HIS . . . -53.11 -20.02 3.38 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.366 -0.833 . . . . 0.0 110.196 -179.318 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 84' ' ' CYS . . . . . . . . . . . . . 49.0 t -51.02 85.84 0.0 OUTLIER 'General case' 0 N--CA 1.495 1.823 0 O-C-N 121.247 -0.908 . . . . 0.0 109.705 -179.562 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 85' ' ' HIS . . . . . 0.575 ' N ' ' O ' ' B' ' 83' ' ' ALA . 85.3 t60 -69.07 -40.46 78.46 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.364 -0.835 . . . . 0.0 110.079 -179.529 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -89.61 126.21 35.53 Favored 'General case' 0 N--CA 1.496 1.827 0 O-C-N 121.331 -0.855 . . . . 0.0 110.256 -179.118 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 87' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -95.09 154.48 17.16 Favored 'General case' 0 N--CA 1.496 1.849 0 O-C-N 121.331 -0.855 . . . . 0.0 109.271 179.183 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 86.0 m-85 -83.41 0.48 45.93 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.421 -0.799 . . . . 0.0 109.169 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 49.5 mt-10 -65.18 113.22 3.83 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.338 -0.852 . . . . 0.0 110.113 -179.234 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 90' ' ' HIS . . . . . . . . . . . . . 11.6 m-70 -71.01 150.02 46.04 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.195 -0.941 . . . . 0.0 110.131 178.921 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 91' ' ' GLU . . . . . 0.609 ' CD ' ' H ' ' B' ' 91' ' ' GLU . 0.6 OUTLIER . . . . . 0 N--CA 1.493 1.724 0 CA-C-O 118.016 -0.992 . . . . 0.0 109.138 179.16 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 92' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 93' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 92' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 93' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 28.3 ttt . . . . . 0 N--CA 1.492 1.662 0 N-CA-C 109.379 -0.6 . . . . 0.0 109.379 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 80.6 p -75.19 168.38 20.1 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.479 -0.763 . . . . 0.0 110.016 -179.773 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 95.8 mt-10 -60.09 -39.44 86.14 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.509 -0.745 . . . . 0.0 109.55 179.538 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.551 HD13 ' O ' ' A' ' 3' ' ' LEU . 0.3 OUTLIER -60.1 -42.73 95.28 Favored 'General case' 0 C--N 1.301 -1.521 0 O-C-N 121.205 -0.935 . . . . 0.0 108.701 -179.352 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 78.9 mm-40 -60.26 -43.46 96.12 Favored 'General case' 0 C--N 1.304 -1.411 0 O-C-N 121.193 -0.942 . . . . 0.0 109.297 179.852 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 36.4 ttmt -63.35 -40.16 96.52 Favored 'General case' 0 N--CA 1.487 1.417 0 O-C-N 121.378 -0.826 . . . . 0.0 109.428 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -60.08 -48.05 83.33 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.35 -0.844 . . . . 0.0 110.05 -179.439 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 8.7 ttp -60.2 -40.26 89.43 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 120.94 -1.1 . . . . 0.0 109.656 -179.934 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 53.6 t -65.53 -39.12 84.12 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.577 0 O-C-N 121.396 -0.815 . . . . 0.0 109.407 179.67 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.9 -40.21 87.98 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.281 -0.887 . . . . 0.0 110.414 -178.758 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 2.2 mm? -59.93 -43.52 94.88 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 120.498 -1.376 . . . . 0.0 109.186 179.884 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 94.6 mt -71.23 -47.17 61.87 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.64 0 O-C-N 120.922 -1.111 . . . . 0.0 110.532 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 45.7 t0 -68.99 -45.28 70.99 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.083 -1.011 . . . . 0.0 111.073 -178.895 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 53.6 t -60.97 -40.9 87.03 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.868 0 O-C-N 120.8 -1.188 . . . . 0.0 110.213 -179.093 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 55.2 t80 -59.87 -44.22 94.28 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.085 -1.009 . . . . 0.0 110.255 -178.802 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 56.9 t-80 -67.14 -39.61 86.59 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.335 -0.853 . . . . 0.0 111.333 -178.949 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 15.5 mm100 -59.91 -48.41 81.79 Favored 'General case' 0 N--CA 1.496 1.843 0 O-C-N 121.035 -1.041 . . . . 0.0 111.325 -178.151 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 50.4 m-85 -69.67 -40.07 76.62 Favored 'General case' 0 N--CA 1.496 1.836 0 O-C-N 120.624 -1.297 . . . . 0.0 110.601 -179.433 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 39.1 t -60.84 -43.0 98.86 Favored 'General case' 0 N--CA 1.494 1.762 0 O-C-N 120.904 -1.123 . . . . 0.0 111.174 -179.03 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -82.41 -2.85 90.68 Favored Glycine 0 N--CA 1.494 2.55 0 O-C-N 121.064 -1.022 . . . . 0.0 111.551 -178.515 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 2.3 ppt_? -60.1 -40.89 91.22 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 120.447 -1.62 . . . . 0.0 111.002 -178.036 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 88.9 tt0 -78.28 -40.28 37.45 Favored 'General case' 0 N--CA 1.496 1.852 0 O-C-N 120.464 -1.398 . . . . 0.0 109.819 179.786 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 151.28 -28.34 0.98 Allowed Glycine 0 N--CA 1.492 2.393 0 N-CA-C 109.304 -1.518 . . . . 0.0 109.304 -179.762 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 93.9 m-20 -96.45 110.96 23.23 Favored 'General case' 0 N--CA 1.497 1.895 0 O-C-N 121.354 -1.086 . . . . 0.0 108.854 179.678 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' LYS . . . . . 0.439 ' H ' ' HG2' ' A' ' 24' ' ' LYS . 16.5 pttm -100.06 98.84 9.53 Favored 'General case' 0 N--CA 1.499 1.983 0 O-C-N 121.324 -0.86 . . . . 0.0 110.056 -179.792 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 1.9 t60 -177.78 -47.19 0.01 OUTLIER 'General case' 0 N--CA 1.495 1.8 0 O-C-N 121.294 -0.879 . . . . 0.0 110.196 179.484 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 48.6 pttt -146.27 161.78 39.53 Favored 'General case' 0 N--CA 1.496 1.849 0 O-C-N 121.193 -0.942 . . . . 0.0 110.076 -178.292 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.404 ' N ' HD12 ' A' ' 27' ' ' LEU . 5.4 mp -105.84 141.99 36.31 Favored 'General case' 0 N--CA 1.497 1.888 0 O-C-N 121.35 -0.844 . . . . 0.0 109.224 -179.523 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -91.28 177.42 6.25 Favored 'General case' 0 N--CA 1.497 1.908 0 O-C-N 121.186 -0.947 . . . . 0.0 108.964 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.432 ' HZ3' ' HB2' ' A' ' 29' ' ' LYS . 5.9 mtmp? -60.06 -45.99 91.02 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.136 -0.978 . . . . 0.0 110.546 -178.994 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 34.5 t -64.03 -44.51 92.34 Favored 'General case' 0 N--CA 1.494 1.755 0 O-C-N 120.983 -1.073 . . . . 0.0 110.04 -179.088 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 84.2 tt0 -70.04 -30.84 68.21 Favored 'General case' 0 C--N 1.298 -1.631 0 O-C-N 121.352 -0.842 . . . . 0.0 110.094 -179.697 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 59.5 tp -59.82 -50.0 75.52 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.371 -0.83 . . . . 0.0 110.576 -178.212 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.412 ' H ' ' HG2' ' A' ' 33' ' ' LYS . 0.0 OUTLIER -61.63 -37.32 83.57 Favored 'General case' 0 C--N 1.297 -1.685 0 O-C-N 121.023 -1.048 . . . . 0.0 109.681 -179.921 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 34' ' ' GLU . . . . . 0.607 ' O ' ' ND2' ' A' ' 38' ' ' ASN . 87.6 tt0 -60.22 -44.86 94.82 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 120.89 -1.131 . . . . 0.0 109.957 -179.451 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 18.0 tp -60.19 -40.41 89.95 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.44 -0.787 . . . . 0.0 109.284 -179.641 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 97.1 mt -69.94 -36.89 71.09 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.642 0 O-C-N 121.536 -0.728 . . . . 0.0 110.374 -179.785 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 52.7 t30 -59.44 -46.09 89.73 Favored 'General case' 0 N--CA 1.497 1.913 0 O-C-N 121.16 -0.962 . . . . 0.0 111.159 -177.806 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' ASN . . . . . 0.607 ' ND2' ' O ' ' A' ' 34' ' ' GLU . 0.1 OUTLIER -79.68 -19.96 47.72 Favored 'General case' 0 N--CA 1.496 1.841 0 O-C-N 120.708 -1.245 . . . . 0.0 109.539 -179.962 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 39' ' ' GLU . . . . . 0.48 ' N ' ' OE1' ' A' ' 39' ' ' GLU . 0.2 OUTLIER -86.92 -75.39 0.4 Allowed 'General case' 0 N--CA 1.496 1.841 0 O-C-N 121.112 -0.992 . . . . 0.0 109.221 179.796 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 5.5 mp -91.79 104.23 16.7 Favored 'General case' 0 N--CA 1.497 1.884 0 O-C-N 121.032 -1.042 . . . . 0.0 109.345 -179.713 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 94.4 p -101.93 -43.21 5.86 Favored 'General case' 0 N--CA 1.495 1.793 0 O-C-N 121.541 -0.724 . . . . 0.0 110.31 -179.836 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 73.0 t60 -124.48 -12.53 7.24 Favored 'General case' 0 N--CA 1.506 2.355 0 O-C-N 121.104 -0.998 . . . . 0.0 110.55 -179.474 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 41.4 t80 -66.9 -42.96 84.59 Favored 'General case' 0 N--CA 1.492 1.675 0 O-C-N 120.708 -1.245 . . . . 0.0 109.162 -179.874 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 10.4 tp -103.18 132.89 49.09 Favored 'General case' 0 N--CA 1.496 1.866 0 O-C-N 121.516 -0.74 . . . . 0.0 109.268 -179.668 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 86.8 tt0 -100.01 -10.12 21.95 Favored 'General case' 0 N--CA 1.495 1.792 0 O-C-N 121.266 -0.896 . . . . 0.0 109.885 -179.761 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 5.1 tp10 -78.35 -164.46 0.56 Allowed 'General case' 0 N--CA 1.495 1.788 0 O-C-N 120.791 -1.193 . . . . 0.0 110.803 -178.736 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.411 HG23 ' CG2' ' A' ' 53' ' ' VAL . 90.3 mt 56.57 72.6 0.1 Allowed 'Isoleucine or valine' 0 N--CA 1.497 1.888 0 O-C-N 121.536 -0.727 . . . . 0.0 109.211 -178.751 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 9.8 pttm -108.61 -42.85 4.42 Favored 'General case' 0 N--CA 1.501 2.108 0 O-C-N 121.476 -0.765 . . . . 0.0 109.678 179.926 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 14.9 mp0 -113.02 153.51 27.99 Favored 'General case' 0 N--CA 1.507 2.397 0 O-C-N 121.283 -0.885 . . . . 0.0 109.276 178.879 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -60.25 -40.23 89.57 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.551 -0.718 . . . . 0.0 110.814 -179.624 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 4.5 pt-20 -60.19 -38.84 84.48 Favored 'General case' 0 N--CA 1.496 1.833 0 O-C-N 120.959 -1.088 . . . . 0.0 109.48 -179.629 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 54.0 t -60.05 -40.54 83.53 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.508 0 O-C-N 121.184 -0.948 . . . . 0.0 108.617 179.861 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.411 ' CG2' HG23 ' A' ' 47' ' ' ILE . 56.0 t -60.89 -40.54 85.65 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.785 0 O-C-N 121.321 -0.862 . . . . 0.0 109.684 179.348 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 54' ' ' ASP . . . . . 0.486 ' O ' ' OE1' ' A' ' 58' ' ' GLU . 93.5 m-20 -60.1 -41.25 92.14 Favored 'General case' 0 C--N 1.301 -1.534 0 O-C-N 121.256 -0.903 . . . . 0.0 109.987 -179.1 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 36.1 ttmt -60.72 -40.55 92.72 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.075 -1.015 . . . . 0.0 110.204 -179.67 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 62.6 t -60.82 -40.05 83.88 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.603 0 O-C-N 121.472 -0.767 . . . . 0.0 110.255 -179.234 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 33.3 ttm -60.19 -51.36 69.9 Favored 'General case' 0 N--CA 1.498 1.951 0 O-C-N 121.256 -0.903 . . . . 0.0 112.078 -178.679 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 58' ' ' GLU . . . . . 0.486 ' OE1' ' O ' ' A' ' 54' ' ' ASP . 10.8 mp0 -60.47 -40.1 90.05 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 120.958 -1.089 . . . . 0.0 109.457 -179.429 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 94.0 m -63.92 -49.51 72.34 Favored 'General case' 0 C--N 1.298 -1.635 0 C-N-CA 119.479 -0.888 . . . . 0.0 109.109 179.669 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 12.8 tp -69.19 -50.93 42.96 Favored 'General case' 0 C--N 1.303 -1.425 0 O-C-N 121.555 -0.716 . . . . 0.0 109.722 179.896 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 19.4 m-20 -81.87 105.99 13.44 Favored 'General case' 0 N--CA 1.495 1.805 0 O-C-N 121.061 -1.024 . . . . 0.0 110.093 -179.538 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 53.8 tp10 -69.95 -34.86 73.98 Favored 'General case' 0 N--CA 1.496 1.862 0 O-C-N 121.238 -0.914 . . . . 0.0 109.139 179.31 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 63' ' ' ASP . . . . . 0.405 ' OD1' ' N ' ' A' ' 65' ' ' ASP . 6.8 p30 -83.62 -6.37 59.43 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.521 -0.737 . . . . 0.0 110.762 -179.394 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 51.19 48.25 47.49 Favored Glycine 0 N--CA 1.491 2.312 0 N-CA-C 109.612 -1.395 . . . . 0.0 109.612 -179.513 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 65' ' ' ASP . . . . . 0.405 ' N ' ' OD1' ' A' ' 63' ' ' ASP . 96.3 m-20 -69.95 -19.63 63.36 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 120.895 -1.356 . . . . 0.0 109.893 -179.796 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 89.55 -11.41 70.16 Favored Glycine 0 N--CA 1.497 2.718 0 C-N-CA 120.166 -1.016 . . . . 0.0 110.563 178.951 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 -134.81 148.97 50.31 Favored 'General case' 0 N--CA 1.498 1.956 0 O-C-N 121.26 -1.141 . . . . 0.0 108.894 -179.849 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 7.9 p -106.2 118.46 36.69 Favored 'General case' 0 N--CA 1.5 2.06 0 O-C-N 121.331 -0.856 . . . . 0.0 110.48 -178.936 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 22.9 p30 -89.38 -177.78 5.44 Favored 'General case' 0 N--CA 1.498 1.93 0 O-C-N 121.06 -1.025 . . . . 0.0 108.838 178.576 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 70.7 t80 -60.2 -46.94 88.01 Favored 'General case' 0 N--CA 1.494 1.74 0 O-C-N 121.094 -1.004 . . . . 0.0 111.319 -178.565 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 71' ' ' GLN . . . . . 0.416 ' HG2' ' H ' ' A' ' 71' ' ' GLN . 4.3 pt20 -60.21 -50.05 75.2 Favored 'General case' 0 N--CA 1.495 1.779 0 O-C-N 120.82 -1.175 . . . . 0.0 110.009 -178.785 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 94.4 mt-10 -61.06 -37.26 82.05 Favored 'General case' 0 N--CA 1.497 1.88 0 O-C-N 120.795 -1.191 . . . . 0.0 109.192 179.131 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 89.0 t80 -59.86 -44.46 94.14 Favored 'General case' 0 N--CA 1.488 1.464 0 O-C-N 121.355 -0.841 . . . . 0.0 109.483 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 4.3 ttt -61.76 -37.73 85.4 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.212 -0.93 . . . . 0.0 109.273 179.559 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -59.33 -39.83 84.39 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.257 -0.902 . . . . 0.0 109.001 -179.831 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 62.6 t80 -60.28 -49.13 78.82 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.199 -0.938 . . . . 0.0 109.236 179.396 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 56.7 t -62.57 -45.7 98.17 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.491 0 O-C-N 121.335 -0.853 . . . . 0.0 109.338 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 53.1 m -62.73 -42.5 99.69 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.576 -0.703 . . . . 0.0 109.889 -179.819 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 5.9 ttp -61.9 -48.94 78.24 Favored 'General case' 0 N--CA 1.494 1.758 0 O-C-N 121.116 -0.99 . . . . 0.0 109.243 179.843 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 78.7 t -68.33 -41.86 83.9 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.472 0 O-C-N 121.547 -0.721 . . . . 0.0 109.226 179.919 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 92.2 m -62.77 -40.05 96.07 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.252 -0.905 . . . . 0.0 109.557 -179.685 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 93.2 m -69.57 -41.69 75.51 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.347 -0.846 . . . . 0.0 110.793 -179.425 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -62.87 -48.11 80.45 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 120.977 -1.077 . . . . 0.0 109.451 -179.457 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 84' ' ' CYS . . . . . 0.498 ' SG ' ' O ' ' A' ' 84' ' ' CYS . 28.0 p -80.03 105.44 11.31 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.181 -0.949 . . . . 0.0 108.94 179.69 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 6.8 t60 -61.56 -40.4 94.58 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.275 -0.891 . . . . 0.0 109.59 -179.589 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -152.49 -77.48 0.12 Allowed 'General case' 0 N--CA 1.496 1.867 0 N-CA-C 108.046 -1.094 . . . . 0.0 108.046 179.37 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER 59.78 18.78 7.62 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.423 -0.798 . . . . 0.0 109.42 179.212 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 88' ' ' PHE . . . . . 0.545 ' CD1' ' O ' ' A' ' 88' ' ' PHE . 0.2 OUTLIER -86.96 142.08 28.23 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.136 -0.978 . . . . 0.0 109.305 179.877 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 89' ' ' GLU . . . . . 0.517 ' O ' ' O ' ' A' ' 88' ' ' PHE . 11.7 pt-20 44.13 171.53 0.0 OUTLIER 'General case' 0 N--CA 1.503 2.179 0 CA-C-O 122.511 1.148 . . . . 0.0 112.308 -179.738 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -77.93 159.14 29.04 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.342 -0.849 . . . . 0.0 109.849 -179.555 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 40.7 mt-10 . . . . . 0 N--CA 1.492 1.666 0 CA-C-O 117.944 -1.027 . . . . 0.0 109.423 179.179 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 0' ' ' MET . . . . . . . . . . . . . 27.7 ttt . . . . . 0 N--CA 1.491 1.613 0 N-CA-C 108.913 -0.773 . . . . 0.0 108.913 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 77.2 p -76.4 169.4 18.31 Favored 'General case' 0 N--CA 1.488 1.455 0 O-C-N 121.472 -0.767 . . . . 0.0 109.905 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -60.67 -39.79 89.72 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.561 -0.712 . . . . 0.0 109.502 179.919 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 3' ' ' LEU . . . . . 0.561 HD13 ' O ' ' B' ' 3' ' ' LEU . 0.3 OUTLIER -59.94 -41.59 92.16 Favored 'General case' 0 C--N 1.3 -1.581 0 O-C-N 121.183 -0.948 . . . . 0.0 108.922 -179.365 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 79.2 mm-40 -61.06 -44.83 96.8 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.326 -0.858 . . . . 0.0 109.187 179.819 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 36.8 ttmt -62.27 -39.91 94.5 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.371 -0.83 . . . . 0.0 109.69 179.49 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -60.17 -48.58 81.13 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.24 -0.912 . . . . 0.0 110.013 -179.462 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 7' ' ' MET . . . . . . . . . . . . . 7.5 ttp -59.92 -40.37 88.64 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 120.981 -1.075 . . . . 0.0 109.677 -179.786 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 54.2 t -65.41 -38.93 83.69 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.625 0 O-C-N 121.25 -0.906 . . . . 0.0 109.634 179.356 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.19 -40.59 86.2 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.231 -0.918 . . . . 0.0 110.35 -178.881 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -59.82 -43.6 94.46 Favored 'General case' 0 N--CA 1.496 1.861 0 O-C-N 120.634 -1.291 . . . . 0.0 109.511 179.878 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 94.4 mt -71.48 -47.27 59.57 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.621 0 O-C-N 120.971 -1.081 . . . . 0.0 110.298 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 45.4 t0 -69.39 -45.55 69.01 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.187 -0.946 . . . . 0.0 111.149 -178.936 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 70.5 t -60.31 -41.07 85.8 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.812 0 O-C-N 120.795 -1.191 . . . . 0.0 110.161 -179.15 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 14' ' ' PHE . . . . . . . . . . . . . 53.5 t80 -59.93 -45.17 93.46 Favored 'General case' 0 C--N 1.296 -1.729 0 O-C-N 121.086 -1.008 . . . . 0.0 110.382 -178.67 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 56.1 t-80 -65.89 -39.69 90.88 Favored 'General case' 0 C--N 1.297 -1.714 0 O-C-N 121.425 -0.797 . . . . 0.0 111.298 -179.034 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 15.3 mm100 -59.95 -49.21 78.59 Favored 'General case' 0 N--CA 1.498 1.929 0 O-C-N 120.866 -1.146 . . . . 0.0 111.254 -177.936 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 51.7 m-85 -68.86 -40.15 79.49 Favored 'General case' 0 N--CA 1.497 1.902 0 O-C-N 120.688 -1.258 . . . . 0.0 110.99 -179.209 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 42.4 t -60.86 -43.87 97.78 Favored 'General case' 0 N--CA 1.498 1.941 0 O-C-N 120.675 -1.265 . . . . 0.0 110.881 -178.985 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -81.43 -3.2 90.69 Favored Glycine 0 N--CA 1.491 2.353 0 O-C-N 121.117 -0.989 . . . . 0.0 111.66 -178.449 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 2.0 ppt_? -60.1 -41.23 92.08 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 120.574 -1.545 . . . . 0.0 110.86 -178.358 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 87.5 tt0 -77.66 -40.2 42.43 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 120.632 -1.293 . . . . 0.0 109.57 -179.807 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . 150.89 -28.24 1.02 Allowed Glycine 0 N--CA 1.493 2.437 0 N-CA-C 109.287 -1.525 . . . . 0.0 109.287 -179.572 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 94.7 m-20 -96.58 110.87 23.19 Favored 'General case' 0 N--CA 1.495 1.782 0 O-C-N 121.292 -1.122 . . . . 0.0 108.846 179.83 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 24' ' ' LYS . . . . . 0.415 ' H ' ' HG2' ' B' ' 24' ' ' LYS . 16.1 pttm -99.77 99.51 10.34 Favored 'General case' 0 N--CA 1.501 2.087 0 O-C-N 121.282 -0.886 . . . . 0.0 110.302 -179.932 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 25' ' ' HIS . . . . . . . . . . . . . 1.9 t60 -178.45 -47.95 0.01 OUTLIER 'General case' 0 N--CA 1.495 1.818 0 O-C-N 121.48 -0.762 . . . . 0.0 110.293 179.333 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 48.9 pttt -146.27 161.08 41.06 Favored 'General case' 0 N--CA 1.496 1.828 0 O-C-N 121.288 -0.883 . . . . 0.0 110.057 -178.096 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 27' ' ' LEU . . . . . 0.437 HD12 ' N ' ' B' ' 27' ' ' LEU . 5.4 mp -104.78 142.01 35.47 Favored 'General case' 0 N--CA 1.5 2.038 0 O-C-N 121.332 -0.855 . . . . 0.0 109.798 -179.482 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -90.42 176.82 6.57 Favored 'General case' 0 N--CA 1.498 1.947 0 O-C-N 121.141 -0.974 . . . . 0.0 109.106 179.636 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 5.9 mtmp? -59.93 -47.11 87.11 Favored 'General case' 0 N--CA 1.495 1.789 0 O-C-N 120.991 -1.068 . . . . 0.0 110.493 -178.995 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 47.3 t -62.85 -44.32 96.45 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 121.081 -1.012 . . . . 0.0 109.994 -179.21 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 86.4 tt0 -70.03 -31.95 69.85 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.398 -0.814 . . . . 0.0 110.217 -179.761 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 69.0 tp -59.87 -49.94 75.72 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.16 -0.962 . . . . 0.0 110.122 -178.178 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.59 -38.29 84.15 Favored 'General case' 0 C--N 1.302 -1.484 0 O-C-N 120.971 -1.08 . . . . 0.0 109.74 179.764 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 34' ' ' GLU . . . . . 0.616 ' O ' ' ND2' ' B' ' 38' ' ' ASN . 88.0 tt0 -60.19 -44.23 95.26 Favored 'General case' 0 N--CA 1.494 1.769 0 O-C-N 120.964 -1.085 . . . . 0.0 110.063 -179.578 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 21.1 tp -60.07 -41.27 92.06 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 121.349 -0.845 . . . . 0.0 109.167 -179.682 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 96.7 mt -69.65 -35.93 68.18 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.6 0 O-C-N 121.57 -0.706 . . . . 0.0 110.532 -179.609 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 52.6 t30 -59.77 -46.69 88.41 Favored 'General case' 0 N--CA 1.498 1.938 0 O-C-N 121.018 -1.051 . . . . 0.0 111.404 -177.737 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 38' ' ' ASN . . . . . 0.616 ' ND2' ' O ' ' B' ' 34' ' ' GLU . 0.2 OUTLIER -79.76 -17.38 53.6 Favored 'General case' 0 N--CA 1.498 1.957 0 O-C-N 120.705 -1.247 . . . . 0.0 109.86 -179.866 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 39' ' ' GLU . . . . . 0.488 ' OE1' ' N ' ' B' ' 39' ' ' GLU . 0.2 OUTLIER -88.53 -74.98 0.44 Allowed 'General case' 0 N--CA 1.496 1.851 0 O-C-N 120.854 -1.154 . . . . 0.0 109.04 179.641 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 5.5 mp -93.45 103.65 15.84 Favored 'General case' 0 N--CA 1.497 1.897 0 O-C-N 121.208 -0.932 . . . . 0.0 109.215 -179.594 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 54.2 p -100.97 -42.69 6.31 Favored 'General case' 0 N--CA 1.496 1.837 0 O-C-N 121.337 -0.852 . . . . 0.0 110.261 179.862 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 42' ' ' HIS . . . . . . . . . . . . . 70.7 t60 -124.35 -12.14 7.34 Favored 'General case' 0 N--CA 1.503 2.216 0 O-C-N 121.332 -0.855 . . . . 0.0 110.495 -178.918 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 43.8 t80 -67.5 -43.08 81.75 Favored 'General case' 0 N--CA 1.496 1.828 0 O-C-N 120.739 -1.226 . . . . 0.0 108.899 -179.587 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 7.9 tp -103.66 132.57 49.79 Favored 'General case' 0 N--CA 1.494 1.752 0 N-CA-C 109.104 -0.702 . . . . 0.0 109.104 -179.621 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 86.8 tt0 -99.7 -10.45 21.91 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.435 -0.79 . . . . 0.0 109.787 -179.577 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 46' ' ' GLU . . . . . 0.42 ' HG3' ' H ' ' B' ' 47' ' ' ILE . 5.4 tp10 -78.32 -164.21 0.53 Allowed 'General case' 0 N--CA 1.493 1.694 0 O-C-N 120.597 -1.314 . . . . 0.0 110.536 -178.659 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 47' ' ' ILE . . . . . 0.42 ' H ' ' HG3' ' B' ' 46' ' ' GLU . 87.4 mt 56.84 72.59 0.1 Allowed 'Isoleucine or valine' 0 N--CA 1.496 1.861 0 O-C-N 121.499 -0.751 . . . . 0.0 109.19 -178.909 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 8.9 pttm -108.8 -43.77 4.17 Favored 'General case' 0 N--CA 1.501 2.12 0 O-C-N 121.493 -0.754 . . . . 0.0 109.93 -179.89 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 13.7 mp0 -111.8 153.84 25.97 Favored 'General case' 0 N--CA 1.506 2.345 0 O-C-N 121.384 -0.822 . . . . 0.0 109.325 179.083 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -60.43 -40.53 91.42 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.605 -0.684 . . . . 0.0 110.573 -179.724 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 4.3 pt-20 -59.98 -39.1 84.52 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 121.07 -1.019 . . . . 0.0 109.527 -179.683 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 56.0 t -60.19 -40.57 83.97 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.375 0 O-C-N 121.252 -0.905 . . . . 0.0 108.698 179.685 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 55.5 t -60.66 -40.4 84.61 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.635 0 O-C-N 121.237 -0.915 . . . . 0.0 109.843 178.956 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 54' ' ' ASP . . . . . 0.499 ' O ' ' OE1' ' B' ' 58' ' ' GLU . 92.7 m-20 -60.16 -41.4 92.75 Favored 'General case' 0 N--CA 1.487 1.415 0 C-N-CA 119.215 -0.994 . . . . 0.0 109.644 -178.357 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 35.4 ttmt -59.97 -40.71 90.02 Favored 'General case' 0 N--CA 1.494 1.742 0 O-C-N 121.055 -1.028 . . . . 0.0 110.145 -179.52 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 54.2 t -60.84 -39.96 83.61 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.633 0 O-C-N 121.396 -0.815 . . . . 0.0 110.512 -179.125 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 57' ' ' MET . . . . . . . . . . . . . 31.7 ttm -60.18 -51.44 69.57 Favored 'General case' 0 N--CA 1.496 1.864 0 O-C-N 121.306 -0.871 . . . . 0.0 111.741 -178.53 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 58' ' ' GLU . . . . . 0.499 ' OE1' ' O ' ' B' ' 54' ' ' ASP . 9.8 mp0 -59.96 -40.37 88.82 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 120.98 -1.075 . . . . 0.0 109.434 -179.724 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 95.2 m -63.99 -49.98 70.35 Favored 'General case' 0 C--N 1.301 -1.503 0 C-N-CA 119.499 -0.88 . . . . 0.0 109.16 179.847 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 13.9 tp -68.87 -50.76 47.04 Favored 'General case' 0 C--N 1.302 -1.483 0 O-C-N 121.468 -0.77 . . . . 0.0 109.533 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 18.8 m-20 -81.74 105.04 12.56 Favored 'General case' 0 N--CA 1.498 1.93 0 O-C-N 121.099 -1.001 . . . . 0.0 110.531 -179.597 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 53.9 tp10 -70.0 -33.33 71.89 Favored 'General case' 0 N--CA 1.498 1.956 0 O-C-N 121.278 -0.889 . . . . 0.0 109.444 179.316 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 7.8 p30 -85.68 -5.82 59.21 Favored 'General case' 0 N--CA 1.499 1.989 0 O-C-N 121.285 -0.884 . . . . 0.0 110.136 -179.492 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 49.55 49.53 32.92 Favored Glycine 0 N--CA 1.493 2.462 0 N-CA-C 109.47 -1.452 . . . . 0.0 109.47 -179.281 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 94.3 m-20 -70.05 -19.55 63.28 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 120.95 -1.323 . . . . 0.0 109.507 -179.734 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 89.93 -10.73 72.89 Favored Glycine 0 N--CA 1.497 2.716 0 N-CA-C 110.435 -1.066 . . . . 0.0 110.435 178.774 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -134.53 148.62 50.55 Favored 'General case' 0 N--CA 1.498 1.95 0 O-C-N 121.34 -1.094 . . . . 0.0 108.721 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 68' ' ' CYS . . . . . . . . . . . . . 11.4 p -106.67 118.9 37.89 Favored 'General case' 0 N--CA 1.5 2.035 0 O-C-N 121.286 -0.884 . . . . 0.0 110.362 -179.098 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 24.9 p30 -89.94 -178.32 5.43 Favored 'General case' 0 N--CA 1.495 1.802 0 O-C-N 121.133 -0.98 . . . . 0.0 108.804 178.853 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 76.7 t80 -59.62 -47.43 85.62 Favored 'General case' 0 N--CA 1.496 1.827 0 O-C-N 121.249 -0.907 . . . . 0.0 111.349 -178.514 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 71' ' ' GLN . . . . . 0.408 ' HG2' ' H ' ' B' ' 71' ' ' GLN . 4.6 pt20 -59.84 -48.7 80.61 Favored 'General case' 0 N--CA 1.494 1.74 0 O-C-N 120.667 -1.271 . . . . 0.0 109.973 -178.665 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 94.7 mt-10 -62.76 -36.67 83.82 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 120.802 -1.186 . . . . 0.0 109.085 179.613 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 73' ' ' PHE . . . . . . . . . . . . . 89.2 t80 -60.02 -44.61 94.5 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.606 -0.684 . . . . 0.0 109.179 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 74' ' ' MET . . . . . . . . . . . . . 3.9 ttt -60.37 -38.83 85.11 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.299 -0.876 . . . . 0.0 109.205 179.294 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -59.36 -40.07 85.26 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.144 -0.973 . . . . 0.0 109.239 -179.118 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 54.6 t80 -59.95 -49.29 78.28 Favored 'General case' 0 C--N 1.302 -1.496 0 O-C-N 121.352 -0.842 . . . . 0.0 109.455 179.535 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 77' ' ' VAL . . . . . . . . . . . . . 54.6 t -61.99 -46.6 96.12 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.517 0 O-C-N 121.258 -0.901 . . . . 0.0 108.759 179.55 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 78' ' ' SER . . . . . . . . . . . . . 57.0 m -61.48 -43.86 98.12 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.408 -0.808 . . . . 0.0 109.845 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 79' ' ' MET . . . . . . . . . . . . . 7.1 ttp -60.4 -49.58 77.0 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.168 -0.957 . . . . 0.0 109.493 179.66 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 73.8 t -68.66 -41.17 82.55 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.51 0 O-C-N 121.467 -0.77 . . . . 0.0 109.338 -179.687 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 92.0 m -62.67 -40.33 96.74 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.305 -0.872 . . . . 0.0 109.463 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 89.9 m -69.39 -43.57 73.23 Favored 'General case' 0 N--CA 1.494 1.761 0 O-C-N 121.408 -0.807 . . . . 0.0 110.636 -179.228 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -60.96 -48.37 82.13 Favored 'General case' 0 N--CA 1.495 1.776 0 O-C-N 120.99 -1.069 . . . . 0.0 109.696 -179.373 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 84' ' ' CYS . . . . . 0.507 ' SG ' ' O ' ' B' ' 84' ' ' CYS . 29.6 p -80.57 105.57 11.92 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 121.185 -0.947 . . . . 0.0 108.945 179.74 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 85' ' ' HIS . . . . . . . . . . . . . 6.5 t60 -61.21 -39.99 92.31 Favored 'General case' 0 C--N 1.302 -1.483 0 O-C-N 121.136 -0.977 . . . . 0.0 109.778 -179.511 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -153.29 -76.7 0.12 Allowed 'General case' 0 N--CA 1.496 1.869 0 N-CA-C 108.0 -1.111 . . . . 0.0 108.0 179.608 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 87' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER 58.72 19.67 7.07 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.506 -0.746 . . . . 0.0 109.607 179.284 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 88' ' ' PHE . . . . . 0.541 ' O ' ' CD1' ' B' ' 88' ' ' PHE . 0.2 OUTLIER -87.38 141.62 28.5 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.066 -1.021 . . . . 0.0 109.428 179.849 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 89' ' ' GLU . . . . . 0.535 ' O ' ' O ' ' B' ' 88' ' ' PHE . 11.0 pt-20 44.9 170.56 0.0 OUTLIER 'General case' 0 N--CA 1.499 1.984 0 CA-C-O 122.48 1.133 . . . . 0.0 112.236 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 90' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -76.8 158.87 30.55 Favored 'General case' 0 N--CA 1.488 1.464 0 O-C-N 121.389 -0.819 . . . . 0.0 109.893 -179.606 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 41.6 mt-10 . . . . . 0 N--CA 1.492 1.675 0 CA-C-O 117.848 -1.072 . . . . 0.0 108.979 178.909 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 92' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 93' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 93' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 17.7 tpt . . . . . 0 N--CA 1.489 1.493 0 N-CA-C 108.837 -0.801 . . . . 0.0 108.837 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 25.9 t -122.79 118.74 28.7 Favored 'General case' 0 N--CA 1.498 1.948 0 O-C-N 121.51 -0.744 . . . . 0.0 109.152 179.527 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 81.3 mm-40 -68.28 -38.06 81.31 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.282 -0.886 . . . . 0.0 109.231 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 6.4 tp -60.04 -43.45 95.32 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.249 -0.907 . . . . 0.0 109.103 -179.813 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 40.5 tt0 -63.81 -39.94 95.44 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.237 -0.914 . . . . 0.0 110.294 -179.792 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 3.2 ttmp? -60.11 -41.41 92.54 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.018 -1.051 . . . . 0.0 108.742 -179.691 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' ALA . . . . . 0.481 ' HB1' ' HB1' ' B' ' 6' ' ' ALA . . . -61.98 -40.01 94.12 Favored 'General case' 0 C--N 1.303 -1.439 0 O-C-N 121.376 -0.827 . . . . 0.0 109.3 179.712 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 91.1 mmm -60.11 -39.94 87.94 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.203 -0.936 . . . . 0.0 109.833 -179.636 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 54.4 t -67.6 -40.1 83.53 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.661 0 O-C-N 121.095 -1.003 . . . . 0.0 109.873 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -63.07 -41.47 99.45 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.267 -0.896 . . . . 0.0 110.57 -179.184 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 8.3 mp -60.06 -46.32 89.94 Favored 'General case' 0 N--CA 1.494 1.766 0 O-C-N 120.957 -1.089 . . . . 0.0 109.284 -179.677 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 90.5 mt -65.75 -41.11 89.63 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.539 0 O-C-N 121.299 -0.875 . . . . 0.0 109.539 -179.901 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' ASP . . . . . 0.423 ' OD2' ' OE1' ' B' ' 91' ' ' GLU . 22.3 t0 -62.66 -49.5 74.9 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.448 -0.782 . . . . 0.0 111.142 -178.881 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 55.9 t -61.24 -41.16 88.53 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.701 0 O-C-N 121.041 -1.037 . . . . 0.0 110.36 -178.551 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' PHE . . . . . 0.455 ' CZ ' HD23 ' A' ' 27' ' ' LEU . 30.6 t80 -60.1 -52.05 67.02 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.251 -0.906 . . . . 0.0 111.729 -178.674 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 12.3 t-80 -81.84 -36.15 28.61 Favored 'General case' 0 N--CA 1.497 1.919 0 O-C-N 121.061 -1.024 . . . . 0.0 112.613 -178.081 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 66.6 tt0 -60.01 -54.44 45.96 Favored 'General case' 0 N--CA 1.494 1.739 0 O-C-N 120.87 -1.144 . . . . 0.0 113.013 -176.096 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' TYR . . . . . 0.49 ' O ' ' CD1' ' A' ' 17' ' ' TYR . 8.5 t80 -82.12 -20.79 37.34 Favored 'General case' 0 N--CA 1.501 2.081 0 O-C-N 120.707 -1.245 . . . . 0.0 112.422 -176.889 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 35.4 t -66.14 -44.77 83.25 Favored 'General case' 0 N--CA 1.497 1.914 0 O-C-N 120.753 -1.217 . . . . 0.0 113.145 -177.554 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -81.06 -11.46 83.67 Favored Glycine 0 N--CA 1.5 2.905 0 O-C-N 120.504 -1.373 . . . . 0.0 112.365 -177.283 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 28.7 mmt180 -60.58 -50.35 73.87 Favored 'General case' 0 N--CA 1.497 1.884 0 O-C-N 120.393 -1.651 . . . . 0.0 110.458 -178.858 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 85.2 tt0 -172.27 -18.47 0.01 OUTLIER 'General case' 0 N--CA 1.494 1.766 0 O-C-N 121.212 -0.93 . . . . 0.0 109.838 -179.411 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -57.07 -49.96 67.85 Favored Glycine 0 N--CA 1.491 2.335 0 N-CA-C 109.955 -1.258 . . . . 0.0 109.955 -179.39 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' ASP . . . . . 0.501 ' OD1' ' N ' ' A' ' 24' ' ' LYS . 9.4 t70 -162.78 168.52 21.32 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.133 -1.216 . . . . 0.0 109.686 -179.877 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 24' ' ' LYS . . . . . 0.501 ' N ' ' OD1' ' A' ' 23' ' ' ASP . 17.2 ttmm -85.18 100.07 11.5 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.08 -1.013 . . . . 0.0 110.905 -179.063 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 9.6 t60 39.4 26.82 0.02 OUTLIER 'General case' 0 N--CA 1.495 1.805 0 O-C-N 121.715 -0.616 . . . . 0.0 111.801 178.01 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.438 ' N ' ' O ' ' A' ' 24' ' ' LYS . 86.2 mttt -146.0 160.93 41.18 Favored 'General case' 0 N--CA 1.502 2.126 0 O-C-N 120.728 -1.233 . . . . 0.0 108.944 178.815 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.455 HD23 ' CZ ' ' A' ' 14' ' ' PHE . 3.3 mm? -104.4 129.98 52.31 Favored 'General case' 0 N--CA 1.501 2.095 0 O-C-N 121.245 -0.909 . . . . 0.0 109.584 -179.738 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 40.4 mmtt -124.43 161.15 26.62 Favored 'General case' 0 N--CA 1.498 1.937 0 N-CA-C 108.11 -1.07 . . . . 0.0 108.11 179.16 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.0 -24.57 2.68 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.088 -1.008 . . . . 0.0 110.278 -179.428 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 51.7 p -64.69 -42.2 95.48 Favored 'General case' 0 N--CA 1.495 1.808 0 O-C-N 120.937 -1.102 . . . . 0.0 110.953 -179.379 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 37.0 mt-10 -68.1 -35.65 78.49 Favored 'General case' 0 N--CA 1.497 1.907 0 O-C-N 120.792 -1.192 . . . . 0.0 110.66 -179.449 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.536 HD12 ' N ' ' A' ' 32' ' ' LEU . 10.8 mp -59.88 -41.46 91.63 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 120.93 -1.106 . . . . 0.0 109.199 -179.144 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 86.5 tttt -59.86 -41.85 92.41 Favored 'General case' 0 C--N 1.301 -1.504 0 O-C-N 120.946 -1.096 . . . . 0.0 109.265 179.251 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' GLU . . . . . 0.445 ' OE1' ' ND2' ' A' ' 38' ' ' ASN . 1.9 mm-40 -66.23 -51.64 55.6 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.232 -0.918 . . . . 0.0 109.66 -179.927 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 70.5 mt -60.11 -46.83 88.29 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.139 -0.976 . . . . 0.0 109.306 -179.74 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.503 ' O ' ' O ' ' A' ' 40' ' ' LEU . 96.6 mt -62.69 -39.43 84.71 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.445 0 O-C-N 121.447 -0.783 . . . . 0.0 109.856 -179.852 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 59.0 t-20 -75.89 -57.34 3.94 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.105 -0.997 . . . . 0.0 111.708 -178.696 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' ASN . . . . . 0.445 ' ND2' ' OE1' ' A' ' 34' ' ' GLU . 98.6 m-20 -80.18 -69.36 0.6 Allowed 'General case' 0 N--CA 1.498 1.958 0 O-C-N 120.965 -1.084 . . . . 0.0 112.659 -177.399 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 30.5 tt0 -57.16 -84.59 0.01 OUTLIER 'General case' 0 N--CA 1.497 1.902 0 O-C-N 120.956 -1.09 . . . . 0.0 111.163 -177.129 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.503 ' O ' ' O ' ' A' ' 36' ' ' ILE . 3.8 mm? -71.55 147.85 47.26 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 120.711 -1.243 . . . . 0.0 108.838 -179.925 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 5.1 t -166.81 -18.52 0.02 OUTLIER 'General case' 0 C--N 1.299 -1.597 0 O-C-N 121.259 -0.901 . . . . 0.0 109.894 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 60.2 t-80 -75.35 -57.57 3.81 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.111 -0.993 . . . . 0.0 111.026 -179.115 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 70.8 m-85 -69.93 -42.06 73.78 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.21 -0.931 . . . . 0.0 111.275 -178.13 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 23.2 mt -121.78 132.8 54.8 Favored 'General case' 0 N--CA 1.503 2.202 0 O-C-N 121.347 -0.846 . . . . 0.0 109.485 -179.429 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 61.8 tt0 -162.2 23.12 0.11 Allowed 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.124 -0.985 . . . . 0.0 109.437 179.923 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 69.4 mm-40 -102.15 13.86 33.54 Favored 'General case' 0 N--CA 1.501 2.075 0 O-C-N 121.156 -0.965 . . . . 0.0 110.722 -179.231 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 30.3 mm -68.28 96.49 0.35 Allowed 'Isoleucine or valine' 0 N--CA 1.488 1.458 0 O-C-N 120.648 -1.282 . . . . 0.0 108.911 -179.627 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 68.6 mttm -116.67 -28.38 6.4 Favored 'General case' 0 N--CA 1.496 1.847 0 N-CA-C 109.076 -0.712 . . . . 0.0 109.076 179.821 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -129.94 150.08 51.39 Favored 'General case' 0 N--CA 1.498 1.956 0 O-C-N 121.651 -0.656 . . . . 0.0 109.957 -179.22 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 50' ' ' GLN . . . . . 0.473 ' CD ' ' N ' ' A' ' 50' ' ' GLN . 14.8 mp0 -69.98 -25.28 63.54 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.484 -0.76 . . . . 0.0 109.349 179.616 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 71.3 mm-40 -59.98 -40.01 87.66 Favored 'General case' 0 N--CA 1.488 1.426 0 O-C-N 121.318 -0.864 . . . . 0.0 109.408 -179.358 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 54.6 t -65.86 -40.99 89.14 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.511 0 O-C-N 121.197 -0.939 . . . . 0.0 109.023 179.643 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 60.7 t -60.85 -44.59 98.0 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.584 0 O-C-N 121.331 -0.856 . . . . 0.0 109.478 -179.629 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 12.8 t0 -60.05 -43.43 95.37 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.176 -0.953 . . . . 0.0 109.652 -179.892 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 61.0 mttp -64.29 -40.06 95.19 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.165 -0.96 . . . . 0.0 109.662 -179.702 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 54.8 t -60.65 -40.95 86.33 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.507 0 O-C-N 121.26 -0.9 . . . . 0.0 109.373 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 86.3 mtp -65.35 -40.03 93.1 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.35 -0.844 . . . . 0.0 110.058 -179.351 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 88.8 tt0 -62.81 -42.91 99.92 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.167 -0.958 . . . . 0.0 109.703 -179.562 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 94.7 m -64.35 -50.16 68.85 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.155 -0.966 . . . . 0.0 109.744 -179.645 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 61.5 tp -63.09 -49.8 73.04 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.304 -0.872 . . . . 0.0 110.124 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 96.3 m-20 -80.49 108.95 14.55 Favored 'General case' 0 C--N 1.302 -1.475 0 O-C-N 121.397 -0.814 . . . . 0.0 109.97 -178.562 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 81.1 tt0 -67.93 -40.01 83.39 Favored 'General case' 0 N--CA 1.486 1.366 0 O-C-N 121.281 -0.887 . . . . 0.0 108.646 179.034 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 63' ' ' ASP . . . . . 0.432 ' OD1' ' N ' ' A' ' 63' ' ' ASP . 18.3 p-10 -74.14 -50.47 19.26 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.376 -0.828 . . . . 0.0 109.383 179.51 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 82.41 53.51 3.6 Favored Glycine 0 N--CA 1.493 2.439 0 N-CA-C 110.463 -1.055 . . . . 0.0 110.463 179.5 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 39.9 p-10 -80.6 -5.65 57.15 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 120.891 -1.358 . . . . 0.0 109.2 179.626 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 73.45 18.21 79.28 Favored Glycine 0 N--CA 1.493 2.487 0 N-CA-C 110.311 -1.116 . . . . 0.0 110.311 179.197 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 93.3 mt-10 -134.97 149.15 50.17 Favored 'General case' 0 N--CA 1.499 1.999 0 O-C-N 121.256 -1.143 . . . . 0.0 108.864 -179.897 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 3.8 m -109.47 108.05 18.4 Favored 'General case' 0 N--CA 1.5 2.036 0 O-C-N 121.457 -0.777 . . . . 0.0 109.641 -179.912 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 94.3 m-20 -98.57 171.68 7.98 Favored 'General case' 0 N--CA 1.496 1.827 0 O-C-N 121.481 -0.762 . . . . 0.0 109.535 179.645 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 47.8 t80 -59.91 -40.2 88.0 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.328 -0.857 . . . . 0.0 109.195 179.266 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 63.0 tt0 -60.06 -40.75 90.54 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.246 -0.909 . . . . 0.0 109.481 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 72.3 mt-10 -70.04 -35.69 74.48 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.307 -0.871 . . . . 0.0 110.39 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 70.6 t80 -59.96 -42.08 93.3 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.108 -0.995 . . . . 0.0 109.507 -179.527 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 74' ' ' MET . . . . . 0.461 ' SD ' ' O ' ' A' ' 74' ' ' MET . 0.0 OUTLIER -59.97 -39.97 87.48 Favored 'General case' 0 C--N 1.301 -1.543 0 O-C-N 121.218 -0.926 . . . . 0.0 108.549 179.267 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -59.99 -37.25 79.09 Favored 'General case' 0 N--CA 1.494 1.769 0 O-C-N 121.523 -0.736 . . . . 0.0 110.722 -179.754 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 45.2 t80 -60.0 -42.34 94.05 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 120.862 -1.149 . . . . 0.0 110.013 -178.899 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 84.6 t -63.77 -41.83 93.9 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.523 0 O-C-N 121.036 -1.04 . . . . 0.0 109.859 -179.639 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 95.0 p -61.13 -40.04 92.3 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.442 -0.786 . . . . 0.0 110.137 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 32.5 ttp -59.91 -40.03 87.44 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.281 -0.887 . . . . 0.0 110.408 -178.938 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 55.2 t -60.08 -40.63 83.85 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.538 0 O-C-N 121.044 -1.035 . . . . 0.0 109.879 -178.981 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 31.4 p -67.07 -39.93 86.93 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.086 -1.009 . . . . 0.0 110.136 -179.541 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 36.8 p -64.33 -40.06 95.14 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.164 -0.96 . . . . 0.0 110.309 -179.559 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -79.55 -14.17 59.03 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.117 -0.99 . . . . 0.0 109.595 -179.665 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 12.7 t -57.42 156.55 7.74 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.31 -0.869 . . . . 0.0 110.047 -179.662 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 16.9 p-80 -87.96 -145.02 0.14 Allowed 'General case' 0 N--CA 1.494 1.733 0 O-C-N 121.272 -0.892 . . . . 0.0 108.969 179.58 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 53.2 tp10 -130.24 -23.87 2.64 Favored 'General case' 0 N--CA 1.502 2.171 0 O-C-N 120.866 -1.146 . . . . 0.0 110.784 -178.757 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 13.1 m-85 -80.6 68.52 6.84 Favored 'General case' 0 N--CA 1.497 1.916 0 O-C-N 120.755 -1.215 . . . . 0.0 110.471 -179.287 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 2.7 t80 -174.64 24.89 0.01 OUTLIER 'General case' 0 N--CA 1.494 1.766 0 O-C-N 121.114 -0.991 . . . . 0.0 109.094 178.847 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 99.5 mt-10 -98.2 7.53 46.13 Favored 'General case' 0 N--CA 1.494 1.77 0 O-C-N 121.365 -0.834 . . . . 0.0 110.47 -178.811 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 90' ' ' HIS . . . . . 0.48 ' CG ' ' O ' ' A' ' 90' ' ' HIS . 49.4 t60 -102.53 -1.0 31.32 Favored 'General case' 0 N--CA 1.501 2.121 0 O-C-N 121.165 -0.96 . . . . 0.0 110.855 -179.072 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 91' ' ' GLU . . . . . 0.423 ' OE1' ' OD2' ' B' ' 12' ' ' ASP . 87.2 tt0 . . . . . 0 N--CA 1.499 1.991 0 O-C-N 120.877 -1.14 . . . . 0.0 109.177 -179.059 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 0' ' ' MET . . . . . . . . . . . . . 18.3 tpt . . . . . 0 N--CA 1.49 1.545 0 N-CA-C 109.059 -0.719 . . . . 0.0 109.059 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 21.7 t -123.11 118.62 28.12 Favored 'General case' 0 N--CA 1.498 1.926 0 O-C-N 121.486 -0.759 . . . . 0.0 108.993 179.542 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 81.3 mm-40 -67.96 -38.12 82.4 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.291 -0.881 . . . . 0.0 109.18 179.906 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 5.8 tp -59.95 -43.62 94.91 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.296 -0.877 . . . . 0.0 109.185 -179.698 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 40.5 tt0 -63.65 -40.0 95.76 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 121.303 -0.873 . . . . 0.0 110.185 -179.819 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 3.3 ttmp? -59.99 -41.41 91.98 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.049 -1.032 . . . . 0.0 108.805 -179.632 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 6' ' ' ALA . . . . . 0.481 ' HB1' ' HB1' ' A' ' 6' ' ' ALA . . . -62.1 -40.02 94.45 Favored 'General case' 0 C--N 1.302 -1.463 0 O-C-N 121.365 -0.834 . . . . 0.0 109.441 179.645 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 7' ' ' MET . . . . . . . . . . . . . 92.0 mmm -60.0 -39.98 87.64 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.222 -0.924 . . . . 0.0 109.669 -179.806 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 54.5 t -67.97 -40.1 82.74 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.529 0 O-C-N 121.184 -0.947 . . . . 0.0 109.776 -179.766 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -63.02 -41.15 99.47 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.136 -0.978 . . . . 0.0 110.654 -179.391 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 8.4 mp -60.08 -46.56 89.17 Favored 'General case' 0 N--CA 1.495 1.8 0 O-C-N 120.921 -1.112 . . . . 0.0 109.175 -179.801 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 95.8 mt -65.45 -41.36 90.86 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.541 0 O-C-N 121.178 -0.951 . . . . 0.0 109.598 -179.825 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 12' ' ' ASP . . . . . 0.423 ' OD2' ' OE1' ' A' ' 91' ' ' GLU . 23.0 t0 -62.48 -49.38 75.61 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.385 -0.822 . . . . 0.0 111.116 -178.747 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 53.7 t -61.42 -41.11 88.66 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.675 0 O-C-N 121.155 -0.965 . . . . 0.0 110.356 -178.45 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 14' ' ' PHE . . . . . 0.405 ' CD1' ' C ' ' B' ' 14' ' ' PHE . 29.4 t80 -59.93 -51.57 69.14 Favored 'General case' 0 N--CA 1.494 1.743 0 O-C-N 121.32 -0.863 . . . . 0.0 111.761 -178.684 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 12.8 t-80 -82.6 -36.1 26.45 Favored 'General case' 0 N--CA 1.497 1.892 0 O-C-N 121.007 -1.058 . . . . 0.0 112.58 -177.885 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 66.5 tt0 -60.01 -54.44 46.05 Favored 'General case' 0 N--CA 1.494 1.763 0 O-C-N 120.871 -1.143 . . . . 0.0 112.994 -176.252 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 17' ' ' TYR . . . . . 0.495 ' CD1' ' O ' ' B' ' 17' ' ' TYR . 8.7 t80 -82.12 -20.67 37.57 Favored 'General case' 0 N--CA 1.501 2.107 0 O-C-N 120.747 -1.221 . . . . 0.0 112.604 -176.861 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 18' ' ' SER . . . . . 0.402 ' O ' ' O ' ' B' ' 23' ' ' ASP . 38.3 t -66.37 -44.45 83.13 Favored 'General case' 0 N--CA 1.498 1.942 0 O-C-N 120.81 -1.182 . . . . 0.0 113.037 -177.61 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -80.92 -12.16 82.99 Favored Glycine 0 N--CA 1.499 2.863 0 O-C-N 120.494 -1.378 . . . . 0.0 112.472 -177.257 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 28.8 mmt180 -60.37 -50.02 75.26 Favored 'General case' 0 N--CA 1.496 1.866 0 O-C-N 120.532 -1.569 . . . . 0.0 110.469 -178.584 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 84.9 tt0 -172.6 -18.3 0.01 OUTLIER 'General case' 0 N--CA 1.494 1.764 0 O-C-N 121.138 -0.976 . . . . 0.0 109.686 -179.421 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . -57.12 -49.76 69.55 Favored Glycine 0 N--CA 1.491 2.366 0 N-CA-C 110.057 -1.217 . . . . 0.0 110.057 -179.458 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 23' ' ' ASP . . . . . 0.477 ' OD1' ' N ' ' B' ' 24' ' ' LYS . 9.5 t70 -163.24 168.12 21.05 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.123 -1.222 . . . . 0.0 109.608 -179.922 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 24' ' ' LYS . . . . . 0.477 ' N ' ' OD1' ' B' ' 23' ' ' ASP . 17.1 ttmm -84.85 99.99 11.27 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.285 -0.885 . . . . 0.0 111.046 -178.889 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 25' ' ' HIS . . . . . . . . . . . . . 9.3 t60 39.55 26.99 0.02 OUTLIER 'General case' 0 N--CA 1.495 1.796 0 O-C-N 121.744 -0.598 . . . . 0.0 111.78 177.967 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 26' ' ' LYS . . . . . 0.43 ' N ' ' O ' ' B' ' 24' ' ' LYS . 86.1 mttt -146.28 160.84 41.46 Favored 'General case' 0 N--CA 1.5 2.058 0 O-C-N 120.665 -1.272 . . . . 0.0 108.93 178.88 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 2.0 mm? -104.75 130.43 52.82 Favored 'General case' 0 N--CA 1.498 1.97 0 O-C-N 121.149 -0.969 . . . . 0.0 109.596 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 33.9 mmtt -124.04 161.11 26.2 Favored 'General case' 0 N--CA 1.497 1.884 0 N-CA-C 108.208 -1.034 . . . . 0.0 108.208 179.155 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -49.96 -24.64 2.69 Favored 'General case' 0 N--CA 1.493 1.675 0 O-C-N 121.096 -1.003 . . . . 0.0 110.323 -179.585 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 52.4 p -64.78 -41.8 95.56 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 120.897 -1.127 . . . . 0.0 110.987 -179.204 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 34.4 mt-10 -68.28 -35.47 77.92 Favored 'General case' 0 N--CA 1.496 1.847 0 O-C-N 121.024 -1.048 . . . . 0.0 110.636 -179.332 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 32' ' ' LEU . . . . . 0.524 ' N ' HD12 ' B' ' 32' ' ' LEU . 10.8 mp -59.91 -41.49 91.79 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 120.823 -1.173 . . . . 0.0 109.263 -179.202 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 86.4 tttt -59.99 -42.57 94.5 Favored 'General case' 0 C--N 1.302 -1.489 0 O-C-N 120.987 -1.07 . . . . 0.0 109.07 179.503 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 34' ' ' GLU . . . . . 0.455 ' OE1' ' ND2' ' B' ' 38' ' ' ASN . 1.9 mm-40 -65.46 -51.48 59.84 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.214 -0.928 . . . . 0.0 109.655 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 61.3 mt -60.58 -46.66 89.42 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.014 -1.054 . . . . 0.0 109.393 -179.707 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 36' ' ' ILE . . . . . 0.51 ' O ' ' O ' ' B' ' 40' ' ' LEU . 97.0 mt -62.61 -39.37 84.35 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.499 0 O-C-N 121.437 -0.79 . . . . 0.0 109.782 -179.83 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 57.4 t-20 -76.16 -57.14 4.04 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 120.941 -1.099 . . . . 0.0 111.753 -178.52 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 38' ' ' ASN . . . . . 0.455 ' ND2' ' OE1' ' B' ' 34' ' ' GLU . 98.6 m-20 -79.94 -69.41 0.59 Allowed 'General case' 0 N--CA 1.496 1.848 0 O-C-N 120.947 -1.096 . . . . 0.0 112.731 -177.699 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 31.5 tt0 -57.34 -84.5 0.01 OUTLIER 'General case' 0 N--CA 1.497 1.902 0 O-C-N 121.029 -1.045 . . . . 0.0 111.165 -176.946 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 40' ' ' LEU . . . . . 0.51 ' O ' ' O ' ' B' ' 36' ' ' ILE . 4.0 mm? -71.26 147.56 48.05 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 120.792 -1.193 . . . . 0.0 108.651 -179.835 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 5.5 t -166.75 -18.6 0.02 OUTLIER 'General case' 0 C--N 1.3 -1.562 0 O-C-N 121.148 -0.97 . . . . 0.0 109.923 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 42' ' ' HIS . . . . . . . . . . . . . 60.1 t-80 -75.45 -57.65 3.76 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.155 -0.966 . . . . 0.0 111.0 -178.991 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 72.1 m-85 -69.91 -42.16 73.72 Favored 'General case' 0 N--CA 1.494 1.749 0 O-C-N 121.226 -0.921 . . . . 0.0 111.234 -178.199 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 33.2 mt -121.53 132.5 54.74 Favored 'General case' 0 N--CA 1.504 2.227 0 O-C-N 121.424 -0.798 . . . . 0.0 109.555 -179.219 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 60.3 tt0 -162.19 23.27 0.11 Allowed 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.136 -0.977 . . . . 0.0 109.474 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 69.4 mm-40 -102.28 14.04 33.02 Favored 'General case' 0 N--CA 1.498 1.935 0 O-C-N 121.184 -0.947 . . . . 0.0 110.595 -179.339 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 29.5 mm -68.54 96.97 0.39 Allowed 'Isoleucine or valine' 0 N--CA 1.488 1.462 0 O-C-N 120.554 -1.341 . . . . 0.0 108.95 -179.662 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 68.7 mttm -117.05 -28.22 6.3 Favored 'General case' 0 N--CA 1.497 1.907 0 N-CA-C 109.007 -0.738 . . . . 0.0 109.007 179.666 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -129.97 150.05 51.42 Favored 'General case' 0 N--CA 1.498 1.934 0 O-C-N 121.588 -0.695 . . . . 0.0 109.82 -179.219 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 50' ' ' GLN . . . . . 0.491 ' N ' ' CD ' ' B' ' 50' ' ' GLN . 15.0 mp0 -69.99 -25.36 63.57 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.506 -0.747 . . . . 0.0 109.319 179.53 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 71.2 mm-40 -60.03 -40.01 87.86 Favored 'General case' 0 C--N 1.303 -1.42 0 O-C-N 121.32 -0.863 . . . . 0.0 109.272 -179.298 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 54.2 t -65.91 -40.9 88.79 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.503 0 O-C-N 121.091 -1.005 . . . . 0.0 109.114 179.566 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 67.2 t -60.96 -44.44 98.09 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.48 0 O-C-N 121.215 -0.928 . . . . 0.0 109.472 -179.656 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 54' ' ' ASP . . . . . 0.404 ' C ' ' OD1' ' B' ' 54' ' ' ASP . 12.5 t0 -60.05 -43.7 95.18 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.182 -0.949 . . . . 0.0 109.421 -179.813 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 60.6 mttp -63.96 -40.02 95.46 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.051 -1.031 . . . . 0.0 109.78 -179.694 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 54.2 t -60.66 -40.5 84.92 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.525 0 O-C-N 121.239 -0.913 . . . . 0.0 109.376 -179.898 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 57' ' ' MET . . . . . . . . . . . . . 81.5 mtp -65.64 -40.21 92.25 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.376 -0.827 . . . . 0.0 110.004 -179.328 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -62.29 -43.52 98.63 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.152 -0.967 . . . . 0.0 109.755 -179.699 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 96.7 m -63.82 -50.1 70.23 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.281 -0.887 . . . . 0.0 109.92 -179.747 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 64.1 tp -63.16 -49.72 73.23 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.357 -0.839 . . . . 0.0 110.159 179.881 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 96.1 m-20 -80.56 108.53 14.28 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.38 -0.825 . . . . 0.0 110.112 -178.454 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 82.6 tt0 -67.67 -39.94 84.5 Favored 'General case' 0 C--N 1.301 -1.508 0 N-CA-C 108.629 -0.878 . . . . 0.0 108.629 179.081 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 63' ' ' ASP . . . . . 0.458 ' N ' ' OD1' ' B' ' 63' ' ' ASP . 18.3 p-10 -74.17 -50.19 20.35 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.46 -0.775 . . . . 0.0 109.416 179.544 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 82.34 53.0 3.78 Favored Glycine 0 N--CA 1.492 2.411 0 C-N-CA 120.154 -1.022 . . . . 0.0 110.633 179.514 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 39.1 p-10 -80.34 -5.72 56.83 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 120.952 -1.322 . . . . 0.0 109.282 179.603 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 73.06 18.91 79.41 Favored Glycine 0 N--CA 1.494 2.537 0 N-CA-C 110.28 -1.128 . . . . 0.0 110.28 179.215 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 93.1 mt-10 -135.32 148.82 49.59 Favored 'General case' 0 N--CA 1.498 1.933 0 O-C-N 121.242 -1.152 . . . . 0.0 108.855 -179.852 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 68' ' ' CYS . . . . . . . . . . . . . 3.7 m -109.12 108.27 18.87 Favored 'General case' 0 N--CA 1.501 2.108 0 O-C-N 121.366 -0.834 . . . . 0.0 109.765 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 95.0 m-20 -98.69 171.76 7.9 Favored 'General case' 0 N--CA 1.496 1.827 0 O-C-N 121.453 -0.78 . . . . 0.0 109.512 179.598 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 50.6 t80 -59.92 -40.38 88.64 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.221 -0.924 . . . . 0.0 109.077 179.389 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 63.0 tt0 -59.97 -40.73 90.12 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.234 -0.916 . . . . 0.0 109.25 -179.853 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 70.7 mt-10 -70.06 -35.93 74.59 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.214 -0.929 . . . . 0.0 110.231 -179.837 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 73' ' ' PHE . . . . . . . . . . . . . 69.3 t80 -60.0 -41.77 92.82 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.026 -1.046 . . . . 0.0 109.616 -179.459 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 74' ' ' MET . . . . . 0.477 ' SD ' ' O ' ' B' ' 74' ' ' MET . 0.0 OUTLIER -60.08 -39.98 87.94 Favored 'General case' 0 C--N 1.302 -1.487 0 O-C-N 121.26 -0.9 . . . . 0.0 108.593 179.382 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -60.09 -37.2 79.24 Favored 'General case' 0 N--CA 1.494 1.751 0 O-C-N 121.613 -0.679 . . . . 0.0 110.657 -179.684 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 44.1 t80 -60.07 -42.23 94.1 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 120.878 -1.139 . . . . 0.0 109.994 -178.968 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 77' ' ' VAL . . . . . . . . . . . . . 90.0 t -63.83 -41.73 93.51 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.55 0 O-C-N 121.021 -1.049 . . . . 0.0 109.808 -179.537 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 78' ' ' SER . . . . . . . . . . . . . 97.3 p -61.55 -39.61 91.71 Favored 'General case' 0 N--CA 1.494 1.754 0 O-C-N 121.305 -0.872 . . . . 0.0 110.184 -179.872 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 79' ' ' MET . . . . . . . . . . . . . 32.1 ttp -60.0 -39.97 87.61 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.386 -0.822 . . . . 0.0 110.159 -178.761 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 68.9 t -60.05 -41.06 85.06 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.655 0 O-C-N 121.069 -1.019 . . . . 0.0 109.803 -179.128 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 27.9 p -66.5 -39.96 88.97 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.144 -0.973 . . . . 0.0 110.239 -179.699 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 36.4 p -64.68 -39.97 94.59 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.18 -0.95 . . . . 0.0 110.27 -179.517 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -79.27 -14.33 59.1 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.097 -1.002 . . . . 0.0 109.657 -179.696 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 84' ' ' CYS . . . . . . . . . . . . . 11.9 t -57.35 156.63 7.45 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.28 -0.888 . . . . 0.0 110.085 -179.561 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 85' ' ' HIS . . . . . . . . . . . . . 16.1 p-80 -88.04 -145.09 0.14 Allowed 'General case' 0 N--CA 1.492 1.653 0 N-CA-C 108.865 -0.791 . . . . 0.0 108.865 179.535 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 53.2 tp10 -130.06 -24.17 2.66 Favored 'General case' 0 N--CA 1.503 2.195 0 O-C-N 120.907 -1.121 . . . . 0.0 110.712 -178.865 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 87' ' ' PHE . . . . . . . . . . . . . 12.9 m-85 -80.37 68.43 6.54 Favored 'General case' 0 N--CA 1.496 1.874 0 O-C-N 120.726 -1.234 . . . . 0.0 110.453 -179.127 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 2.8 t80 -174.52 24.76 0.01 OUTLIER 'General case' 0 N--CA 1.495 1.78 0 O-C-N 121.119 -0.988 . . . . 0.0 109.13 178.701 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 -97.91 6.53 47.63 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.295 -0.878 . . . . 0.0 110.562 -178.895 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 90' ' ' HIS . . . . . 0.491 ' O ' ' CG ' ' B' ' 90' ' ' HIS . 49.4 t60 -101.64 -0.03 35.4 Favored 'General case' 0 N--CA 1.501 2.092 0 O-C-N 121.033 -1.042 . . . . 0.0 110.743 -178.947 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 91' ' ' GLU . . . . . 0.423 ' OE1' ' OD2' ' A' ' 12' ' ' ASP . 86.4 tt0 . . . . . 0 N--CA 1.5 2.064 0 O-C-N 120.763 -1.21 . . . . 0.0 109.298 -179.108 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 92' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 93' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 92' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 93' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 61.5 mtt . . . . . 0 N--CA 1.49 1.567 0 N-CA-C 109.226 -0.657 . . . . 0.0 109.226 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 5.2 t -87.12 107.48 18.47 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.133 -0.979 . . . . 0.0 109.427 179.875 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 87.0 tt0 -60.54 -39.93 89.68 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.4 -0.812 . . . . 0.0 110.04 -179.88 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.535 ' O ' HD23 ' A' ' 3' ' ' LEU . 4.5 tt -55.73 -51.33 67.72 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.148 -0.97 . . . . 0.0 109.19 -178.972 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 85.0 tt0 -59.94 -43.93 94.68 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 120.914 -1.116 . . . . 0.0 109.031 179.212 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 58.2 tttp -61.37 -39.94 92.5 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.453 -0.78 . . . . 0.0 109.761 179.63 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -59.96 -42.62 94.47 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.236 -0.915 . . . . 0.0 110.251 -178.446 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 50.8 mtm -62.37 -40.05 95.16 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 120.732 -1.23 . . . . 0.0 109.162 179.477 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 61.6 t -68.55 -40.04 81.41 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.505 0 O-C-N 121.253 -0.904 . . . . 0.0 108.671 179.642 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -62.15 -39.95 94.36 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.516 -0.74 . . . . 0.0 110.09 -179.903 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.415 HD13 ' O ' ' A' ' 10' ' ' LEU . 0.1 OUTLIER -60.03 -43.54 95.23 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.081 -1.012 . . . . 0.0 108.925 -179.195 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 96.6 mt -69.48 -40.91 80.34 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.61 0 O-C-N 121.021 -1.049 . . . . 0.0 109.548 179.783 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' ASP . . . . . 0.403 ' OD1' ' C ' ' A' ' 12' ' ' ASP . 51.6 t0 -64.86 -50.03 68.23 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.195 -0.941 . . . . 0.0 110.427 -179.56 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 54.0 t -62.28 -40.66 88.61 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.488 0 O-C-N 121.108 -0.995 . . . . 0.0 109.776 -178.908 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' PHE . . . . . 0.414 ' O ' ' OG ' ' A' ' 18' ' ' SER . 64.6 t80 -60.05 -42.92 95.49 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.202 -0.936 . . . . 0.0 110.124 -179.655 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 2.3 t60 -60.04 -50.01 75.39 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.122 -0.986 . . . . 0.0 110.484 -178.931 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 81.7 mt-30 -67.16 -40.09 86.58 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 120.963 -1.086 . . . . 0.0 108.975 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 27.1 t80 -69.04 -32.54 72.11 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.448 -0.782 . . . . 0.0 109.664 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' SER . . . . . 0.414 ' OG ' ' O ' ' A' ' 14' ' ' PHE . 52.8 m -60.0 -46.24 90.13 Favored 'General case' 0 C--N 1.3 -1.573 0 O-C-N 120.5 -1.375 . . . . 0.0 109.891 -179.582 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -83.59 20.28 12.08 Favored Glycine 0 N--CA 1.497 2.743 0 O-C-N 121.288 -0.883 . . . . 0.0 111.775 -179.106 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.01 -39.94 87.53 Favored 'General case' 0 N--CA 1.499 2.01 0 O-C-N 120.388 -1.654 . . . . 0.0 110.189 -178.898 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 6.6 tt0 -120.11 -158.6 0.75 Allowed 'General case' 0 N--CA 1.504 2.258 0 O-C-N 121.205 -0.934 . . . . 0.0 109.892 -179.245 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -60.03 -39.55 95.85 Favored Glycine 0 N--CA 1.493 2.439 0 N-CA-C 110.85 -0.9 . . . . 0.0 110.85 -179.032 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' ASP . . . . . 0.516 ' N ' ' OD1' ' A' ' 23' ' ' ASP . 18.2 p-10 -54.12 138.49 37.78 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 120.951 -1.323 . . . . 0.0 110.013 -179.174 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 87.1 tttt -89.96 -80.0 0.33 Allowed 'General case' 0 N--CA 1.495 1.818 0 O-C-N 121.647 -0.658 . . . . 0.0 111.446 -178.93 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 17.7 p80 -105.6 26.22 9.79 Favored 'General case' 0 N--CA 1.502 2.138 0 O-C-N 121.453 -0.779 . . . . 0.0 110.812 -178.183 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 15.7 ptmt -136.87 153.72 50.68 Favored 'General case' 0 N--CA 1.498 1.941 0 N-CA-C 108.16 -1.052 . . . . 0.0 108.16 179.094 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 83.6 mt -104.18 136.73 43.24 Favored 'General case' 0 N--CA 1.498 1.97 0 O-C-N 121.175 -0.953 . . . . 0.0 110.19 -178.469 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 31.6 ttmt -92.84 163.45 13.71 Favored 'General case' 0 N--CA 1.492 1.634 0 N-CA-C 108.661 -0.866 . . . . 0.0 108.661 179.747 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 66.9 mttm -59.96 -41.49 92.04 Favored 'General case' 0 C--N 1.302 -1.483 0 O-C-N 120.966 -1.084 . . . . 0.0 109.838 -179.422 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 69.1 m -60.88 -40.59 93.58 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.237 -0.914 . . . . 0.0 110.739 -179.28 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.432 ' OE1' ' OD2' ' A' ' 23' ' ' ASP . 97.8 mt-10 -60.06 -40.08 88.26 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.084 -1.01 . . . . 0.0 110.274 -179.589 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 41.0 tp -59.92 -48.61 81.01 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 120.981 -1.074 . . . . 0.0 108.476 -179.447 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -59.96 -43.37 95.09 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.256 -0.902 . . . . 0.0 109.393 179.623 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 80.6 tt0 -63.27 -40.03 96.25 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.326 -0.859 . . . . 0.0 109.757 -179.613 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 28.3 tp -60.02 -43.2 95.43 Favored 'General case' 0 N--CA 1.489 1.501 0 N-CA-C 108.461 -0.94 . . . . 0.0 108.461 -179.601 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 94.7 mt -62.04 -44.69 99.3 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.554 0 O-C-N 121.319 -0.863 . . . . 0.0 109.64 179.603 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' ASN . . . . . 0.408 ' O ' ' C ' ' A' ' 38' ' ' ASN . 26.1 m120 -60.04 -40.07 88.11 Favored 'General case' 0 N--CA 1.495 1.776 0 O-C-N 121.403 -0.811 . . . . 0.0 111.257 -179.098 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 38' ' ' ASN . . . . . 0.408 ' C ' ' O ' ' A' ' 37' ' ' ASN . 18.9 m120 -41.86 -81.66 0.01 OUTLIER 'General case' 0 N--CA 1.498 1.96 0 O-C-N 121.21 -0.931 . . . . 0.0 110.766 -178.403 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 89.8 mt-10 -143.97 -1.28 0.98 Allowed 'General case' 0 N--CA 1.499 1.988 0 O-C-N 120.97 -1.081 . . . . 0.0 110.039 -179.666 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 10.5 mp -85.65 -6.63 59.12 Favored 'General case' 0 N--CA 1.494 1.755 0 O-C-N 120.976 -1.078 . . . . 0.0 108.992 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' SER . . . . . 0.447 ' O ' ' O ' ' A' ' 44' ' ' LEU . 77.8 p -66.85 -40.0 87.76 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.201 -0.937 . . . . 0.0 109.415 179.478 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 68.3 m80 -62.22 -40.35 95.84 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.035 -1.041 . . . . 0.0 109.804 -179.777 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 29.9 t80 -70.0 -39.9 75.6 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.214 -0.929 . . . . 0.0 109.977 -179.628 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.447 ' O ' ' O ' ' A' ' 41' ' ' SER . 31.4 mt -99.5 132.73 44.64 Favored 'General case' 0 N--CA 1.499 1.982 0 O-C-N 121.258 -0.901 . . . . 0.0 110.17 -179.084 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 45' ' ' GLU . . . . . 0.408 ' HG2' ' H ' ' A' ' 46' ' ' GLU . 45.0 tt0 -89.53 -137.18 0.12 Allowed 'General case' 0 N--CA 1.491 1.593 0 N-CA-C 108.401 -0.963 . . . . 0.0 108.401 179.363 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.408 ' H ' ' HG2' ' A' ' 45' ' ' GLU . 97.9 mt-10 46.05 -137.33 0.64 Allowed 'General case' 0 N--CA 1.493 1.706 0 O-C-N 120.957 -1.09 . . . . 0.0 109.967 179.279 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.407 ' C ' ' O ' ' A' ' 46' ' ' GLU . 23.8 mm 41.01 60.02 0.2 Allowed 'Isoleucine or valine' 0 N--CA 1.498 1.93 0 O-C-N 121.451 -0.78 . . . . 0.0 110.187 -179.672 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 9.8 mtpm? -102.47 -18.73 15.2 Favored 'General case' 0 N--CA 1.496 1.867 0 O-C-N 121.171 -0.956 . . . . 0.0 110.533 -179.808 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 74.1 mt-10 -137.76 159.13 42.83 Favored 'General case' 0 N--CA 1.503 2.186 0 O-C-N 121.048 -1.032 . . . . 0.0 110.819 -178.979 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 35.8 mt-30 -66.58 -40.02 88.72 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.751 -0.593 . . . . 0.0 110.284 -179.88 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 63.4 mm-40 -60.0 -39.42 85.71 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.43 -0.794 . . . . 0.0 110.036 -179.575 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.513 ' O ' HG23 ' A' ' 56' ' ' VAL . 53.1 t -59.95 -40.04 81.86 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.594 0 O-C-N 121.273 -0.892 . . . . 0.0 110.248 -178.322 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 58.2 t -60.68 -42.98 93.94 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.526 0 O-C-N 120.734 -1.229 . . . . 0.0 109.998 -179.71 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 98.4 m-20 -65.47 -41.7 93.04 Favored 'General case' 0 N--CA 1.495 1.811 0 O-C-N 120.944 -1.097 . . . . 0.0 110.849 -179.081 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 1.4 mptm? -69.35 -40.0 77.78 Favored 'General case' 0 N--CA 1.494 1.767 0 O-C-N 121.039 -1.038 . . . . 0.0 110.302 -179.44 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.513 HG23 ' O ' ' A' ' 52' ' ' VAL . 53.8 t -59.95 -42.61 90.04 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.617 0 O-C-N 121.127 -0.983 . . . . 0.0 110.864 -178.002 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 96.6 mtp -60.07 -42.44 94.56 Favored 'General case' 0 C--N 1.3 -1.562 0 O-C-N 120.861 -1.149 . . . . 0.0 110.357 -178.663 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 47.3 tt0 -63.96 -45.32 89.65 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 120.756 -1.215 . . . . 0.0 110.371 -179.524 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 94.2 m -69.38 -45.81 68.41 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 120.92 -1.113 . . . . 0.0 110.164 -179.34 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 3.8 tp -70.27 -35.93 74.09 Favored 'General case' 0 C--N 1.3 -1.564 0 O-C-N 121.304 -0.873 . . . . 0.0 110.33 -178.904 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 61' ' ' ASP . . . . . 0.497 ' CG ' ' H ' ' A' ' 64' ' ' GLY . 56.6 t0 -69.57 120.59 15.59 Favored 'General case' 0 N--CA 1.495 1.793 0 O-C-N 121.106 -0.996 . . . . 0.0 109.572 -179.268 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 76.6 mm-40 -67.75 -40.02 84.13 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.454 -0.779 . . . . 0.0 110.389 -179.357 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 63' ' ' ASP . . . . . 0.435 ' OD1' ' OD1' ' A' ' 61' ' ' ASP . 9.9 p-10 -95.6 -16.63 21.97 Favored 'General case' 0 N--CA 1.499 2.011 0 O-C-N 120.914 -1.116 . . . . 0.0 110.615 -179.298 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 64' ' ' GLY . . . . . 0.497 ' H ' ' CG ' ' A' ' 61' ' ' ASP . . . 46.91 57.3 6.96 Favored Glycine 0 N--CA 1.493 2.479 0 N-CA-C 109.791 -1.324 . . . . 0.0 109.791 179.63 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 65' ' ' ASP . . . . . 0.448 ' OD1' ' O ' ' A' ' 67' ' ' GLU . 34.6 p-10 -89.96 -0.84 57.8 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.167 -1.196 . . . . 0.0 109.734 -179.697 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 89.01 -8.7 79.22 Favored Glycine 0 N--CA 1.494 2.566 0 N-CA-C 109.517 -1.433 . . . . 0.0 109.517 179.796 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.448 ' O ' ' OD1' ' A' ' 65' ' ' ASP . 31.3 mp0 -132.79 139.48 47.55 Favored 'General case' 0 N--CA 1.496 1.845 0 O-C-N 121.434 -1.039 . . . . 0.0 108.509 179.758 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 10.8 t -92.77 112.57 24.57 Favored 'General case' 0 N--CA 1.494 1.761 0 O-C-N 120.906 -1.122 . . . . 0.0 109.093 179.645 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 92.3 m-20 -88.24 169.66 11.67 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.467 -0.771 . . . . 0.0 109.283 -179.769 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 52.6 t80 -59.96 -42.42 94.06 Favored 'General case' 0 N--CA 1.487 1.418 0 O-C-N 121.186 -0.946 . . . . 0.0 108.696 -179.738 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 60.0 tt0 -59.95 -43.93 94.71 Favored 'General case' 0 N--CA 1.489 1.488 0 N-CA-C 108.284 -1.006 . . . . 0.0 108.284 179.047 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 67.7 mt-10 -66.76 -39.76 88.0 Favored 'General case' 0 N--CA 1.489 1.49 0 N-CA-C 108.584 -0.895 . . . . 0.0 108.584 179.267 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 64.2 t80 -60.11 -38.98 84.62 Favored 'General case' 0 N--CA 1.487 1.378 0 N-CA-C 108.426 -0.953 . . . . 0.0 108.426 179.816 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -59.94 -39.95 87.3 Favored 'General case' 0 N--CA 1.488 1.43 0 N-CA-C 108.05 -1.093 . . . . 0.0 108.05 179.765 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -61.51 -36.9 81.82 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.325 -0.859 . . . . 0.0 108.935 178.725 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 27.4 t80 -60.04 -49.15 78.78 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.688 -0.633 . . . . 0.0 109.965 -179.038 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 58.4 t -69.8 -41.63 79.86 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.616 0 O-C-N 120.906 -1.122 . . . . 0.0 110.386 -179.206 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 47.5 t -63.14 -50.64 69.63 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 120.986 -1.071 . . . . 0.0 110.89 -178.841 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 22.5 ttt -61.18 -42.21 98.17 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 120.957 -1.089 . . . . 0.0 109.947 -179.306 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 42.7 t -65.96 -49.11 79.12 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.587 0 O-C-N 121.312 -0.867 . . . . 0.0 110.17 -179.846 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 93.8 m -67.14 -46.69 73.32 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.144 -0.972 . . . . 0.0 110.263 -179.136 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 94.4 m -64.51 -39.92 94.68 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.287 -0.883 . . . . 0.0 109.807 -179.741 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 83' ' ' ALA . . . . . 0.542 ' O ' ' ND1' ' A' ' 85' ' ' HIS . . . -57.69 -22.23 44.92 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.374 -0.829 . . . . 0.0 110.992 -178.872 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 84' ' ' CYS . . . . . 0.567 ' O ' ' CG ' ' A' ' 85' ' ' HIS . 12.8 p -71.51 -41.83 68.76 Favored 'General case' 0 N--CA 1.494 1.746 0 O-C-N 120.816 -1.177 . . . . 0.0 109.878 -179.696 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 85' ' ' HIS . . . . . 0.567 ' CG ' ' O ' ' A' ' 84' ' ' CYS . 41.4 p-80 44.73 -176.26 0.01 OUTLIER 'General case' 0 N--CA 1.499 2.019 0 CA-C-O 121.498 0.666 . . . . 0.0 110.621 -179.561 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 86' ' ' GLU . . . . . 0.451 ' O ' ' O ' ' A' ' 85' ' ' HIS . 49.8 mm-40 43.27 -168.29 0.01 OUTLIER 'General case' 0 N--CA 1.496 1.837 0 O-C-N 121.447 -0.783 . . . . 0.0 110.171 -179.627 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 7.4 m-85 -99.97 129.82 46.07 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.433 -0.792 . . . . 0.0 109.157 -179.825 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 46.5 t80 -84.33 130.77 34.77 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.073 -1.017 . . . . 0.0 109.122 179.814 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 44.9 tt0 -89.61 106.77 18.68 Favored 'General case' 0 N--CA 1.494 1.753 0 O-C-N 121.093 -1.004 . . . . 0.0 109.04 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 67.4 t60 -71.26 149.87 45.78 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.295 -0.878 . . . . 0.0 109.493 -179.801 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 . . . . . 0 N--CA 1.491 1.606 0 CA-C-O 117.931 -1.033 . . . . 0.0 109.465 -179.869 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 0' ' ' MET . . . . . . . . . . . . . 61.3 mtt . . . . . 0 N--CA 1.49 1.531 0 N-CA-C 109.304 -0.628 . . . . 0.0 109.304 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 6.6 t -87.14 107.21 18.36 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.134 -0.979 . . . . 0.0 109.347 179.86 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 87.5 tt0 -60.52 -39.94 89.68 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.425 -0.797 . . . . 0.0 110.046 -179.912 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 3' ' ' LEU . . . . . 0.503 ' O ' HD23 ' B' ' 3' ' ' LEU . 4.4 tt -55.49 -51.94 65.33 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.113 -0.992 . . . . 0.0 109.164 -179.1 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 85.8 tt0 -59.96 -43.65 94.92 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.016 -1.053 . . . . 0.0 108.953 179.512 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 59.4 tttp -61.37 -39.96 92.56 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.378 -0.827 . . . . 0.0 109.755 179.438 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -60.0 -42.12 93.56 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.221 -0.925 . . . . 0.0 110.307 -178.413 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 7' ' ' MET . . . . . . . . . . . . . 47.4 mtm -62.81 -40.11 96.37 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 120.777 -1.202 . . . . 0.0 109.097 179.678 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 56.2 t -68.32 -40.01 81.84 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.507 0 O-C-N 121.21 -0.931 . . . . 0.0 108.727 179.571 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.92 -39.98 93.91 Favored 'General case' 0 C--N 1.303 -1.434 0 O-C-N 121.576 -0.702 . . . . 0.0 110.21 179.888 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 10' ' ' LEU . . . . . 0.422 HD13 ' O ' ' B' ' 10' ' ' LEU . 0.2 OUTLIER -60.05 -44.23 94.84 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.164 -0.96 . . . . 0.0 108.784 -179.018 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 96.5 mt -68.79 -41.21 82.21 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.553 0 O-C-N 121.16 -0.962 . . . . 0.0 109.705 179.894 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 12' ' ' ASP . . . . . 0.418 ' C ' ' OD1' ' B' ' 12' ' ' ASP . 51.4 t0 -64.94 -50.02 68.08 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.23 -0.919 . . . . 0.0 110.379 -179.458 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 53.5 t -62.07 -40.77 88.63 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.505 0 O-C-N 121.14 -0.975 . . . . 0.0 109.72 -179.002 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 14' ' ' PHE . . . . . . . . . . . . . 64.7 t80 -60.01 -43.18 95.4 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.219 -0.926 . . . . 0.0 110.166 -179.642 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 2.4 t60 -59.95 -50.03 75.36 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.046 -1.034 . . . . 0.0 110.459 -178.912 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 81.8 mt-30 -67.11 -39.96 86.79 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 120.843 -1.16 . . . . 0.0 108.869 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 27.1 t80 -69.06 -32.51 72.03 Favored 'General case' 0 N--CA 1.488 1.445 0 O-C-N 121.526 -0.734 . . . . 0.0 109.72 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 48.3 m -60.18 -46.2 90.5 Favored 'General case' 0 C--N 1.3 -1.566 0 O-C-N 120.459 -1.4 . . . . 0.0 109.746 -179.555 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -83.43 20.31 11.47 Favored Glycine 0 N--CA 1.497 2.766 0 O-C-N 121.312 -0.867 . . . . 0.0 111.824 -179.068 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.03 -40.04 87.99 Favored 'General case' 0 N--CA 1.5 2.037 0 O-C-N 120.411 -1.641 . . . . 0.0 110.18 -178.965 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 6.4 tt0 -120.02 -158.67 0.75 Allowed 'General case' 0 N--CA 1.505 2.297 0 O-C-N 121.34 -0.85 . . . . 0.0 109.844 -179.267 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . -59.96 -39.72 95.98 Favored Glycine 0 N--CA 1.492 2.374 0 N-CA-C 110.848 -0.901 . . . . 0.0 110.848 -179.048 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 23' ' ' ASP . . . . . 0.533 ' N ' ' OD1' ' B' ' 23' ' ' ASP . 18.1 p-10 -53.91 138.84 35.59 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 120.923 -1.34 . . . . 0.0 109.962 -179.113 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 87.3 tttt -90.21 -80.04 0.33 Allowed 'General case' 0 N--CA 1.495 1.818 0 O-C-N 121.682 -0.636 . . . . 0.0 111.386 -178.91 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 25' ' ' HIS . . . . . . . . . . . . . 18.1 p80 -105.58 25.91 10.17 Favored 'General case' 0 N--CA 1.502 2.156 0 O-C-N 121.371 -0.83 . . . . 0.0 110.833 -178.092 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 16.1 ptmt -136.64 153.38 50.94 Favored 'General case' 0 N--CA 1.497 1.882 0 N-CA-C 108.195 -1.039 . . . . 0.0 108.195 179.183 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 82.8 mt -103.91 136.92 42.66 Favored 'General case' 0 N--CA 1.499 1.985 0 O-C-N 121.225 -0.922 . . . . 0.0 110.176 -178.462 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 31.7 ttmt -92.92 163.35 13.71 Favored 'General case' 0 N--CA 1.491 1.592 0 N-CA-C 108.666 -0.865 . . . . 0.0 108.666 179.775 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 66.7 mttm -60.04 -41.32 92.0 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.024 -1.047 . . . . 0.0 109.832 -179.598 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 72.0 m -60.88 -40.52 93.34 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.25 -0.906 . . . . 0.0 110.726 -179.299 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 31' ' ' GLU . . . . . 0.428 ' OE1' ' OD2' ' B' ' 23' ' ' ASP . 97.6 mt-10 -60.16 -39.96 88.25 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.097 -1.002 . . . . 0.0 110.337 -179.604 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 42.7 tp -59.97 -48.51 81.4 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.029 -1.045 . . . . 0.0 108.606 -179.576 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 87.9 tttt -60.08 -43.43 95.51 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.256 -0.903 . . . . 0.0 109.403 179.673 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 85.1 tt0 -63.24 -39.93 96.01 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.323 -0.861 . . . . 0.0 109.833 -179.701 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 27.6 tp -60.08 -43.26 95.63 Favored 'General case' 0 N--CA 1.489 1.523 0 N-CA-C 108.462 -0.94 . . . . 0.0 108.462 -179.769 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 89.8 mt -61.98 -44.62 99.17 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.572 0 O-C-N 121.354 -0.841 . . . . 0.0 109.559 179.713 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 37' ' ' ASN . . . . . 0.414 ' O ' ' C ' ' B' ' 38' ' ' ASN . 25.7 m120 -60.06 -39.93 87.71 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 121.519 -0.738 . . . . 0.0 111.325 -179.053 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 38' ' ' ASN . . . . . 0.414 ' C ' ' O ' ' B' ' 37' ' ' ASN . 18.1 m120 -41.96 -81.62 0.01 OUTLIER 'General case' 0 N--CA 1.496 1.842 0 O-C-N 121.212 -0.93 . . . . 0.0 110.828 -178.535 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 89.0 mt-10 -144.13 -1.19 0.96 Allowed 'General case' 0 N--CA 1.499 1.986 0 O-C-N 120.949 -1.094 . . . . 0.0 110.103 -179.737 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 10.3 mp -85.7 -6.76 59.09 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.028 -1.045 . . . . 0.0 108.986 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 41' ' ' SER . . . . . 0.447 ' O ' ' O ' ' B' ' 44' ' ' LEU . 77.3 p -66.78 -40.07 88.04 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.143 -0.973 . . . . 0.0 109.37 179.504 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 42' ' ' HIS . . . . . . . . . . . . . 68.1 m80 -62.06 -40.5 96.01 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.064 -1.023 . . . . 0.0 109.808 -179.709 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 30.5 t80 -70.03 -39.94 75.47 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.158 -0.964 . . . . 0.0 109.978 -179.608 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 44' ' ' LEU . . . . . 0.447 ' O ' ' O ' ' B' ' 41' ' ' SER . 33.3 mt -99.56 132.66 44.75 Favored 'General case' 0 N--CA 1.499 2.013 0 O-C-N 121.205 -0.935 . . . . 0.0 110.189 -179.148 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 44.4 tt0 -89.3 -137.02 0.12 Allowed 'General case' 0 N--CA 1.491 1.596 0 N-CA-C 108.553 -0.906 . . . . 0.0 108.553 179.479 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 46' ' ' GLU . . . . . 0.408 ' O ' ' C ' ' B' ' 47' ' ' ILE . 97.6 mt-10 45.71 -136.97 0.62 Allowed 'General case' 0 N--CA 1.494 1.731 0 O-C-N 121.102 -0.999 . . . . 0.0 110.063 179.29 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 47' ' ' ILE . . . . . 0.408 ' C ' ' O ' ' B' ' 46' ' ' GLU . 23.5 mm 40.96 59.94 0.2 Allowed 'Isoleucine or valine' 0 N--CA 1.499 1.995 0 O-C-N 121.487 -0.758 . . . . 0.0 110.124 -179.732 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 10.0 mtpm? -102.44 -18.67 15.25 Favored 'General case' 0 N--CA 1.496 1.864 0 O-C-N 121.204 -0.935 . . . . 0.0 110.505 -179.684 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 75.4 mt-10 -137.82 159.45 41.95 Favored 'General case' 0 N--CA 1.503 2.221 0 O-C-N 120.997 -1.065 . . . . 0.0 110.779 -179.102 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 35.8 mt-30 -66.71 -40.01 88.27 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.687 -0.633 . . . . 0.0 110.324 -179.78 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 63.6 mm-40 -59.98 -39.51 85.93 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.271 -0.893 . . . . 0.0 110.047 -179.628 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 52' ' ' VAL . . . . . 0.501 ' O ' HG23 ' B' ' 56' ' ' VAL . 54.2 t -59.98 -40.11 82.11 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.627 0 O-C-N 121.28 -0.887 . . . . 0.0 110.239 -178.217 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 53.4 t -60.8 -42.89 94.06 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.532 0 O-C-N 120.729 -1.232 . . . . 0.0 110.038 -179.745 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 98.4 m-20 -65.33 -41.74 93.63 Favored 'General case' 0 N--CA 1.496 1.845 0 O-C-N 120.972 -1.08 . . . . 0.0 110.864 -179.145 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 1.4 mptm? -69.34 -39.94 77.86 Favored 'General case' 0 N--CA 1.495 1.779 0 O-C-N 121.024 -1.047 . . . . 0.0 110.31 -179.437 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 56' ' ' VAL . . . . . 0.501 HG23 ' O ' ' B' ' 52' ' ' VAL . 53.7 t -60.07 -42.64 90.59 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.646 0 O-C-N 121.154 -0.966 . . . . 0.0 110.767 -177.947 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 57' ' ' MET . . . . . . . . . . . . . 96.8 mtp -60.08 -42.25 94.21 Favored 'General case' 0 C--N 1.301 -1.511 0 O-C-N 120.902 -1.124 . . . . 0.0 110.316 -178.598 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 46.6 tt0 -64.14 -45.4 88.67 Favored 'General case' 0 N--CA 1.493 1.675 0 O-C-N 120.758 -1.214 . . . . 0.0 110.311 -179.562 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 94.2 m -69.14 -46.09 68.47 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.053 -1.03 . . . . 0.0 110.142 -179.364 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 3.7 tp -69.92 -36.35 75.29 Favored 'General case' 0 C--N 1.3 -1.546 0 O-C-N 121.322 -0.861 . . . . 0.0 110.297 -178.894 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 61' ' ' ASP . . . . . 0.492 ' CG ' ' H ' ' B' ' 64' ' ' GLY . 57.0 t0 -69.36 120.49 15.25 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 120.979 -1.075 . . . . 0.0 109.67 -179.132 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 76.7 mm-40 -67.69 -39.98 84.38 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.474 -0.766 . . . . 0.0 110.407 -179.326 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 63' ' ' ASP . . . . . 0.431 ' OD1' ' OD1' ' B' ' 61' ' ' ASP . 10.0 p-10 -95.67 -16.56 21.94 Favored 'General case' 0 N--CA 1.5 2.025 0 O-C-N 120.996 -1.065 . . . . 0.0 110.547 -179.168 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 64' ' ' GLY . . . . . 0.492 ' H ' ' CG ' ' B' ' 61' ' ' ASP . . . 46.86 57.28 6.94 Favored Glycine 0 N--CA 1.494 2.528 0 N-CA-C 109.835 -1.306 . . . . 0.0 109.835 179.649 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 65' ' ' ASP . . . . . 0.417 ' O ' ' OE1' ' B' ' 67' ' ' GLU . 34.6 p-10 -89.99 -0.72 57.73 Favored 'General case' 0 N--CA 1.496 1.827 0 O-C-N 121.23 -1.159 . . . . 0.0 109.723 -179.71 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 88.96 -9.07 78.16 Favored Glycine 0 N--CA 1.495 2.61 0 N-CA-C 109.532 -1.427 . . . . 0.0 109.532 179.774 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 67' ' ' GLU . . . . . 0.417 ' OE1' ' O ' ' B' ' 65' ' ' ASP . 31.3 mp0 -132.46 139.64 48.07 Favored 'General case' 0 N--CA 1.496 1.861 0 O-C-N 121.531 -0.981 . . . . 0.0 108.504 179.889 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 68' ' ' CYS . . . . . . . . . . . . . 11.2 t -92.85 112.63 24.66 Favored 'General case' 0 N--CA 1.495 1.797 0 O-C-N 120.893 -1.129 . . . . 0.0 109.05 179.632 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 92.8 m-20 -88.24 169.27 12.02 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.472 -0.767 . . . . 0.0 109.274 -179.747 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 51.3 t80 -60.03 -42.29 94.08 Favored 'General case' 0 N--CA 1.487 1.383 0 O-C-N 121.203 -0.935 . . . . 0.0 108.57 -179.691 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 59.8 tt0 -59.99 -43.77 94.94 Favored 'General case' 0 N--CA 1.49 1.534 0 N-CA-C 108.29 -1.004 . . . . 0.0 108.29 178.965 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 69.0 mt-10 -66.77 -39.89 88.02 Favored 'General case' 0 N--CA 1.488 1.463 0 N-CA-C 108.608 -0.886 . . . . 0.0 108.608 179.175 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 73' ' ' PHE . . . . . . . . . . . . . 64.1 t80 -59.91 -38.99 83.9 Favored 'General case' 0 N--CA 1.487 1.395 0 N-CA-C 108.396 -0.964 . . . . 0.0 108.396 179.836 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 74' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -60.0 -40.03 87.8 Favored 'General case' 0 C--N 1.303 -1.438 0 N-CA-C 108.033 -1.099 . . . . 0.0 108.033 179.749 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -61.45 -37.03 82.06 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.383 -0.823 . . . . 0.0 109.022 178.748 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 28.2 t80 -60.03 -49.04 79.22 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.511 -0.743 . . . . 0.0 110.044 -179.047 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 77' ' ' VAL . . . . . . . . . . . . . 62.6 t -69.65 -41.63 80.22 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.613 0 O-C-N 120.974 -1.079 . . . . 0.0 110.421 -179.319 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 78' ' ' SER . . . . . . . . . . . . . 48.3 t -63.42 -50.58 69.23 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 120.963 -1.086 . . . . 0.0 110.936 -178.858 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 79' ' ' MET . . . . . . . . . . . . . 22.4 ttt -61.01 -42.33 98.25 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 120.997 -1.064 . . . . 0.0 109.886 -179.399 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 42.6 t -65.94 -48.91 80.23 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.642 0 O-C-N 121.41 -0.806 . . . . 0.0 110.123 -179.768 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 81' ' ' THR . . . . . 0.436 ' O ' ' SG ' ' B' ' 84' ' ' CYS . 93.8 m -67.44 -46.71 72.29 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.109 -0.994 . . . . 0.0 110.115 -178.971 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 94.4 m -64.44 -39.97 94.84 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.147 -0.97 . . . . 0.0 109.865 -179.701 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 83' ' ' ALA . . . . . 0.547 ' O ' ' ND1' ' B' ' 85' ' ' HIS . . . -57.76 -22.04 44.72 Favored 'General case' 0 N--CA 1.494 1.725 0 O-C-N 121.42 -0.8 . . . . 0.0 110.938 -178.804 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 84' ' ' CYS . . . . . 0.575 ' O ' ' CG ' ' B' ' 85' ' ' HIS . 12.6 p -71.67 -41.77 68.31 Favored 'General case' 0 N--CA 1.494 1.767 0 O-C-N 120.809 -1.182 . . . . 0.0 109.794 -179.632 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 85' ' ' HIS . . . . . 0.575 ' CG ' ' O ' ' B' ' 84' ' ' CYS . 41.6 p-80 44.6 -176.23 0.01 OUTLIER 'General case' 0 N--CA 1.498 1.956 0 CA-C-O 121.469 0.652 . . . . 0.0 110.635 -179.576 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 86' ' ' GLU . . . . . 0.442 ' O ' ' O ' ' B' ' 85' ' ' HIS . 49.9 mm-40 43.35 -168.4 0.01 OUTLIER 'General case' 0 N--CA 1.494 1.771 0 O-C-N 121.387 -0.821 . . . . 0.0 110.141 -179.631 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 87' ' ' PHE . . . . . . . . . . . . . 7.1 m-85 -99.93 129.72 46.03 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.422 -0.799 . . . . 0.0 109.218 -179.858 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 45.4 t80 -84.41 130.74 34.75 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.119 -0.988 . . . . 0.0 109.155 179.877 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 45.8 tt0 -89.81 106.19 18.3 Favored 'General case' 0 N--CA 1.494 1.74 0 O-C-N 121.042 -1.036 . . . . 0.0 109.226 -179.927 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 90' ' ' HIS . . . . . . . . . . . . . 65.4 t60 -70.01 149.98 47.14 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.325 -0.859 . . . . 0.0 109.566 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 . . . . . 0 N--CA 1.49 1.558 0 CA-C-O 117.997 -1.001 . . . . 0.0 109.465 179.878 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 92' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 93' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 92' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 93' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 13.4 ptt? . . . . . 0 N--CA 1.488 1.428 0 N-CA-C 109.369 -0.604 . . . . 0.0 109.369 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 28.5 t 50.95 83.89 0.05 OUTLIER 'General case' 0 N--CA 1.487 1.396 0 O-C-N 121.346 -0.846 . . . . 0.0 109.368 179.914 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 47.3 mt-10 -61.99 -34.98 77.17 Favored 'General case' 0 N--CA 1.49 1.555 0 N-CA-C 108.915 -0.772 . . . . 0.0 108.915 -179.93 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.555 HD13 ' O ' ' A' ' 3' ' ' LEU . 0.3 OUTLIER -60.27 -44.64 95.14 Favored 'General case' 0 N--CA 1.49 1.542 0 N-CA-C 108.11 -1.07 . . . . 0.0 108.11 179.649 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 87.5 tt0 -61.42 -40.03 92.92 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.071 -1.018 . . . . 0.0 109.25 179.289 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 57.6 mmtt -60.17 -39.15 85.42 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.346 -0.846 . . . . 0.0 109.891 179.68 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -59.86 -48.65 80.84 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.245 -0.909 . . . . 0.0 110.02 -178.599 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 95.4 mtp -65.31 -40.35 93.67 Favored 'General case' 0 C--N 1.302 -1.494 0 O-C-N 121.043 -1.036 . . . . 0.0 109.745 -179.585 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 79.2 t -68.24 -49.08 70.33 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.523 0 O-C-N 121.278 -0.889 . . . . 0.0 109.921 -179.7 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -62.39 -41.33 98.58 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.322 -0.861 . . . . 0.0 110.647 -179.267 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 8.7 tt -60.24 -40.62 90.87 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.043 -1.036 . . . . 0.0 109.346 -179.362 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 96.8 mt -67.54 -40.26 83.96 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.482 0 O-C-N 121.285 -0.885 . . . . 0.0 110.113 -179.42 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 97.4 m-20 -65.09 -40.55 94.78 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.002 -1.061 . . . . 0.0 109.727 -179.557 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 57.7 t -67.5 -42.52 87.1 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.902 0 O-C-N 120.915 -1.115 . . . . 0.0 110.43 -179.699 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 74.9 t80 -60.69 -41.66 95.59 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.082 -1.011 . . . . 0.0 109.97 -179.783 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 17.6 m-70 -66.16 -38.45 88.13 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.136 -0.978 . . . . 0.0 110.105 179.653 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 63.3 tt0 -60.12 -55.56 32.4 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.104 -0.997 . . . . 0.0 110.733 -178.376 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 73.7 m-85 -71.51 -39.03 71.05 Favored 'General case' 0 C--N 1.3 -1.584 0 O-C-N 120.821 -1.175 . . . . 0.0 110.799 -179.3 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' SER . . . . . 0.451 ' O ' ' O ' ' A' ' 23' ' ' ASP . 51.7 p -71.35 -42.19 68.82 Favored 'General case' 0 N--CA 1.489 1.475 0 O-C-N 120.962 -1.086 . . . . 0.0 110.468 -178.893 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -67.85 0.92 8.9 Favored Glycine 0 N--CA 1.495 2.625 0 N-CA-C 109.967 -1.253 . . . . 0.0 109.967 -179.523 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.49 HH11 ' HG2' ' A' ' 20' ' ' ARG . 7.4 ttt-85 -61.11 -39.59 90.55 Favored 'General case' 0 C--N 1.299 -1.605 0 O-C-N 121.415 -1.05 . . . . 0.0 109.679 179.64 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.476 ' C ' ' H ' ' A' ' 23' ' ' ASP . 37.2 mt-10 -117.9 49.26 1.26 Allowed 'General case' 0 N--CA 1.503 2.21 0 O-C-N 121.601 -0.687 . . . . 0.0 110.655 -178.504 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 59.68 -2.06 0.42 Allowed Glycine 0 N--CA 1.488 2.157 0 C-N-CA 119.674 -1.25 . . . . 0.0 110.363 178.784 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' ASP . . . . . 0.476 ' H ' ' C ' ' A' ' 21' ' ' GLU . 77.7 m-20 -93.63 96.49 9.87 Favored 'General case' 0 N--CA 1.494 1.736 0 O-C-N 120.813 -1.404 . . . . 0.0 108.769 -179.802 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -96.2 -36.23 11.01 Favored 'General case' 0 N--CA 1.494 1.751 0 O-C-N 121.159 -0.963 . . . . 0.0 110.049 -179.506 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 76.7 m80 -99.66 1.18 43.26 Favored 'General case' 0 N--CA 1.498 1.975 0 O-C-N 121.23 -0.919 . . . . 0.0 110.601 -179.112 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -128.23 144.76 51.15 Favored 'General case' 0 N--CA 1.499 1.994 0 O-C-N 121.278 -0.889 . . . . 0.0 109.19 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 44.2 tp -113.25 133.32 55.15 Favored 'General case' 0 N--CA 1.497 1.878 0 N-CA-C 108.263 -1.014 . . . . 0.0 108.263 179.856 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 40.3 tttm -96.2 152.33 18.66 Favored 'General case' 0 N--CA 1.494 1.756 0 O-C-N 121.311 -0.868 . . . . 0.0 110.369 -178.894 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.35 -40.0 89.16 Favored 'General case' 0 N--CA 1.494 1.773 0 CA-C-O 121.361 0.601 . . . . 0.0 110.352 -179.692 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 78.2 p -59.91 -39.94 87.12 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.259 -0.901 . . . . 0.0 109.571 -179.112 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 90.8 mt-10 -67.66 -30.36 69.89 Favored 'General case' 0 N--CA 1.487 1.421 0 O-C-N 121.191 -0.943 . . . . 0.0 109.954 179.741 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.551 ' O ' HD23 ' A' ' 32' ' ' LEU . 3.7 tt -59.87 -50.11 75.05 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 120.947 -1.095 . . . . 0.0 109.612 -179.307 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 8.0 ttpm? -60.21 -41.3 92.71 Favored 'General case' 0 N--CA 1.497 1.878 0 O-C-N 120.437 -1.414 . . . . 0.0 110.139 -179.434 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 80.7 mm-40 -63.04 -39.82 95.87 Favored 'General case' 0 C--N 1.299 -1.628 0 O-C-N 121.048 -1.033 . . . . 0.0 109.87 179.902 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 6.3 tt -60.04 -45.86 91.43 Favored 'General case' 0 N--CA 1.488 1.447 0 O-C-N 121.281 -0.887 . . . . 0.0 109.668 -179.647 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 96.7 mt -60.36 -42.34 90.48 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.524 0 O-C-N 121.376 -0.827 . . . . 0.0 109.549 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 41.4 t30 -60.99 -39.09 88.36 Favored 'General case' 0 N--CA 1.496 1.859 0 O-C-N 121.453 -0.779 . . . . 0.0 110.145 179.492 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 12.6 t-20 -43.78 -90.74 0.0 OUTLIER 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.219 -0.926 . . . . 0.0 110.721 -178.807 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 8.5 mp0 -144.21 43.87 1.43 Allowed 'General case' 0 N--CA 1.5 2.048 0 O-C-N 120.845 -1.159 . . . . 0.0 109.945 -179.503 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 3.4 tp -130.75 10.67 5.13 Favored 'General case' 0 N--CA 1.505 2.301 0 O-C-N 120.905 -1.122 . . . . 0.0 109.605 -179.584 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' SER . . . . . 0.476 ' O ' ' O ' ' A' ' 44' ' ' LEU . 71.0 m -70.06 -27.02 64.29 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.389 -0.819 . . . . 0.0 109.402 179.836 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 72.4 m80 -61.36 -39.72 91.67 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 120.908 -1.12 . . . . 0.0 109.583 -179.827 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 81.4 m-85 -69.79 -36.93 76.12 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.163 -0.961 . . . . 0.0 110.515 -179.396 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.476 ' O ' ' O ' ' A' ' 41' ' ' SER . 6.7 mp -105.22 138.65 41.09 Favored 'General case' 0 N--CA 1.506 2.353 0 O-C-N 121.006 -1.059 . . . . 0.0 109.833 -179.879 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 88.3 tt0 -143.16 75.51 1.48 Allowed 'General case' 0 N--CA 1.498 1.945 0 O-C-N 121.19 -0.944 . . . . 0.0 108.823 179.102 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -172.81 0.12 0.01 OUTLIER 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.139 -0.976 . . . . 0.0 109.341 -179.685 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 86.2 mt -95.7 122.23 46.99 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.063 0 O-C-N 121.295 -0.878 . . . . 0.0 110.104 -179.602 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 54.0 mttm -127.91 -63.22 1.03 Allowed 'General case' 0 N--CA 1.504 2.252 0 O-C-N 121.426 -0.796 . . . . 0.0 109.989 179.677 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 49.0 tp10 -95.43 153.68 17.57 Favored 'General case' 0 N--CA 1.495 1.817 0 O-C-N 121.728 -0.608 . . . . 0.0 109.883 -178.785 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 50' ' ' GLN . . . . . 0.413 ' CD ' ' H ' ' A' ' 50' ' ' GLN . 28.6 mp0 -60.04 -33.3 71.85 Favored 'General case' 0 N--CA 1.498 1.936 0 O-C-N 121.288 -0.883 . . . . 0.0 109.477 -179.557 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 76.2 mm-40 -59.43 -38.92 81.89 Favored 'General case' 0 C--N 1.3 -1.552 0 O-C-N 121.306 -0.871 . . . . 0.0 109.831 -179.158 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 51.4 t -60.16 -41.86 88.16 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.718 0 O-C-N 120.994 -1.066 . . . . 0.0 109.192 179.549 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 52.9 t -60.89 -41.14 87.72 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.556 0 O-C-N 121.223 -0.923 . . . . 0.0 109.596 179.369 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 67.3 t0 -60.61 -45.44 94.03 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.282 -0.886 . . . . 0.0 110.142 -179.356 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 53.5 tptt -59.82 -45.78 91.3 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.057 -1.027 . . . . 0.0 108.603 -179.496 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 54.4 t -61.74 -39.94 85.1 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.647 0 O-C-N 121.528 -0.732 . . . . 0.0 109.78 179.2 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 57' ' ' MET . . . . . 0.437 ' SD ' ' OD1' ' A' ' 61' ' ' ASP . 0.0 OUTLIER -59.29 -40.08 85.0 Favored 'General case' 0 C--N 1.3 -1.563 0 O-C-N 121.281 -0.887 . . . . 0.0 109.653 -178.449 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 53.0 tp10 -61.69 -44.93 95.99 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.032 -1.043 . . . . 0.0 109.594 179.653 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 94.4 m -63.68 -40.38 96.68 Favored 'General case' 0 N--CA 1.5 2.072 0 O-C-N 121.08 -1.013 . . . . 0.0 110.908 -179.042 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -67.41 -40.26 85.55 Favored 'General case' 0 N--CA 1.496 1.848 0 O-C-N 121.173 -0.955 . . . . 0.0 110.571 -178.348 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 61' ' ' ASP . . . . . 0.437 ' OD1' ' SD ' ' A' ' 57' ' ' MET . 1.1 m-20 -76.7 117.35 18.23 Favored 'General case' 0 C--N 1.3 -1.559 0 O-C-N 121.073 -1.017 . . . . 0.0 109.217 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 64.5 mm-40 -66.87 -40.3 87.8 Favored 'General case' 0 N--CA 1.495 1.811 0 O-C-N 121.336 -0.853 . . . . 0.0 110.579 -178.894 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 63' ' ' ASP . . . . . 0.44 ' OD2' ' OD2' ' A' ' 65' ' ' ASP . 28.3 p-10 -100.84 0.81 39.29 Favored 'General case' 0 N--CA 1.5 2.027 0 O-C-N 121.262 -0.899 . . . . 0.0 110.566 -179.238 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 57.2 51.5 57.16 Favored Glycine 0 N--CA 1.493 2.49 0 N-CA-C 109.929 -1.269 . . . . 0.0 109.929 179.863 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 65' ' ' ASP . . . . . 0.44 ' OD2' ' OD2' ' A' ' 63' ' ' ASP . 96.8 m-20 -71.92 -20.62 61.74 Favored 'General case' 0 N--CA 1.494 1.739 0 O-C-N 121.284 -1.127 . . . . 0.0 110.226 -179.79 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 89.56 -7.87 81.01 Favored Glycine 0 N--CA 1.493 2.437 0 N-CA-C 109.61 -1.396 . . . . 0.0 109.61 -179.93 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 86.1 tt0 -136.29 143.13 44.04 Favored 'General case' 0 N--CA 1.498 1.955 0 O-C-N 121.312 -1.11 . . . . 0.0 108.471 179.339 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 2.9 p -98.52 118.48 35.31 Favored 'General case' 0 N--CA 1.494 1.748 0 O-C-N 121.611 -0.681 . . . . 0.0 110.164 -178.89 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 69' ' ' ASP . . . . . 0.411 ' C ' ' OD1' ' A' ' 69' ' ' ASP . 39.0 p-10 -93.44 177.54 6.0 Favored 'General case' 0 N--CA 1.5 2.027 0 O-C-N 121.243 -0.91 . . . . 0.0 109.663 179.805 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 66.0 t80 -59.85 -41.44 91.45 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.34 -0.85 . . . . 0.0 110.244 -179.564 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 60.4 tt0 -60.17 -44.46 95.02 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 121.018 -1.051 . . . . 0.0 110.178 179.872 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -70.3 -29.83 66.67 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.219 -0.926 . . . . 0.0 109.569 179.74 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 75.4 t80 -59.76 -45.0 93.6 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.145 -0.972 . . . . 0.0 108.948 179.849 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 9.2 mmt -60.09 -40.53 89.92 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.275 -0.891 . . . . 0.0 108.983 178.76 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -60.65 -40.48 92.16 Favored 'General case' 0 C--N 1.304 -1.4 0 O-C-N 121.191 -0.943 . . . . 0.0 109.71 179.927 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 70.9 t80 -60.2 -42.38 94.97 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.369 -0.832 . . . . 0.0 110.946 -179.758 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 53.1 t -64.07 -45.94 95.19 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.592 0 O-C-N 121.054 -1.029 . . . . 0.0 108.962 -179.126 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 58.4 m -63.09 -41.03 99.31 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.348 -0.845 . . . . 0.0 110.374 -179.535 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 31.1 mmm -62.87 -40.29 97.04 Favored 'General case' 0 C--N 1.3 -1.554 0 O-C-N 120.875 -1.14 . . . . 0.0 110.126 -178.957 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 53.7 t -67.42 -42.51 87.35 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.75 0 O-C-N 120.974 -1.079 . . . . 0.0 110.491 179.816 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 19.4 p -64.8 -40.82 95.86 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 120.818 -1.176 . . . . 0.0 110.187 -179.318 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 75.6 p -68.64 -39.81 80.56 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.276 -0.89 . . . . 0.0 109.995 -179.911 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -68.52 -40.08 80.95 Favored 'General case' 0 C--N 1.301 -1.511 0 O-C-N 121.407 -0.808 . . . . 0.0 109.486 -179.451 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 17.8 t -73.36 142.29 47.04 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.338 -0.851 . . . . 0.0 108.74 179.59 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 52.6 m170 -76.51 141.07 41.38 Favored 'General case' 0 C--N 1.303 -1.44 0 O-C-N 121.443 -0.786 . . . . 0.0 110.243 -179.022 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 41.0 mt-10 -70.46 -154.73 0.02 OUTLIER 'General case' 0 C--N 1.302 -1.483 0 N-CA-C 108.795 -0.817 . . . . 0.0 108.795 179.402 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 36.4 t80 55.44 90.82 0.03 OUTLIER 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.256 -0.903 . . . . 0.0 109.765 179.772 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 88' ' ' PHE . . . . . 0.541 ' CG ' ' N ' ' A' ' 89' ' ' GLU . 47.6 t80 -152.81 -166.98 2.61 Favored 'General case' 0 N--CA 1.492 1.64 0 N-CA-C 108.42 -0.955 . . . . 0.0 108.42 179.126 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 89' ' ' GLU . . . . . 0.541 ' N ' ' CG ' ' A' ' 88' ' ' PHE . 25.4 mp0 48.04 -140.07 0.65 Allowed 'General case' 0 N--CA 1.493 1.722 0 O-C-N 120.846 -1.159 . . . . 0.0 109.007 -178.679 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 49.3 m80 -70.03 151.46 45.51 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.151 -0.968 . . . . 0.0 108.88 179.543 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 16.7 pt-20 . . . . . 0 N--CA 1.495 1.808 0 CA-C-O 117.887 -1.054 . . . . 0.0 110.002 -179.391 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 0' ' ' MET . . . . . . . . . . . . . 13.9 ptt? . . . . . 0 N--CA 1.489 1.503 0 CA-C-O 121.196 0.522 . . . . 0.0 109.954 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 30.3 t 51.51 83.56 0.05 Allowed 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.159 -0.963 . . . . 0.0 109.615 -179.724 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 46.0 mt-10 -61.58 -36.71 81.45 Favored 'General case' 0 N--CA 1.494 1.742 0 O-C-N 121.429 -0.794 . . . . 0.0 108.901 179.83 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 3' ' ' LEU . . . . . 0.52 HD13 ' O ' ' B' ' 3' ' ' LEU . 0.3 OUTLIER -58.36 -46.62 85.94 Favored 'General case' 0 N--CA 1.488 1.469 0 N-CA-C 108.196 -1.038 . . . . 0.0 108.196 179.443 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 87.7 tt0 -60.01 -40.21 88.46 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 120.887 -1.133 . . . . 0.0 109.672 179.081 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 57.7 mmtt -59.99 -39.07 84.49 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.22 -0.925 . . . . 0.0 109.672 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -59.94 -48.93 79.69 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.223 -0.923 . . . . 0.0 110.224 -178.731 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 7' ' ' MET . . . . . . . . . . . . . 94.0 mtp -64.71 -40.2 94.95 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 120.945 -1.097 . . . . 0.0 110.209 -179.877 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 58.0 t -68.7 -47.51 76.16 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.558 0 O-C-N 121.187 -0.946 . . . . 0.0 109.837 -179.813 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -64.38 -40.01 94.98 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.387 -0.821 . . . . 0.0 110.314 -178.973 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 7.6 tt -61.05 -40.81 95.06 Favored 'General case' 0 C--N 1.302 -1.459 0 O-C-N 121.116 -0.99 . . . . 0.0 109.399 -179.141 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 96.9 mt -67.44 -40.48 84.62 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.49 0 O-C-N 121.248 -0.908 . . . . 0.0 110.45 -179.525 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 96.8 m-20 -64.38 -40.07 95.09 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.024 -1.048 . . . . 0.0 109.81 -179.764 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 61.0 t -68.35 -42.79 84.46 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.747 0 O-C-N 121.091 -1.006 . . . . 0.0 110.109 -179.738 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 14' ' ' PHE . . . . . . . . . . . . . 71.6 t80 -60.45 -42.16 95.57 Favored 'General case' 0 N--CA 1.495 1.776 0 O-C-N 120.953 -1.092 . . . . 0.0 110.025 -179.802 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 14.4 m-70 -65.29 -38.79 91.31 Favored 'General case' 0 C--N 1.298 -1.653 0 O-C-N 121.287 -0.883 . . . . 0.0 110.197 179.722 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 63.5 tt0 -60.02 -56.34 22.85 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.096 -1.002 . . . . 0.0 110.722 -178.154 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 71.0 m-85 -70.19 -39.59 75.11 Favored 'General case' 0 C--N 1.297 -1.688 0 O-C-N 121.03 -1.043 . . . . 0.0 110.978 -179.678 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 18' ' ' SER . . . . . 0.464 ' O ' ' O ' ' B' ' 23' ' ' ASP . 55.8 p -71.79 -41.24 68.53 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 120.791 -1.193 . . . . 0.0 110.403 -178.819 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -67.84 -0.77 14.92 Favored Glycine 0 N--CA 1.495 2.631 0 N-CA-C 109.856 -1.298 . . . . 0.0 109.856 -179.661 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 20' ' ' ARG . . . . . 0.498 HH11 ' HG2' ' B' ' 20' ' ' ARG . 6.2 ttt-85 -60.17 -39.8 87.72 Favored 'General case' 0 C--N 1.295 -1.763 0 O-C-N 121.361 -1.082 . . . . 0.0 109.649 179.857 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 21' ' ' GLU . . . . . 0.501 ' C ' ' H ' ' B' ' 23' ' ' ASP . 37.9 mt-10 -117.54 49.58 1.2 Allowed 'General case' 0 N--CA 1.503 2.21 0 O-C-N 121.404 -0.81 . . . . 0.0 110.834 -178.67 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . 58.48 -1.1 0.31 Allowed Glycine 0 N--CA 1.489 2.168 0 C-N-CA 119.951 -1.119 . . . . 0.0 110.391 179.219 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 23' ' ' ASP . . . . . 0.501 ' H ' ' C ' ' B' ' 21' ' ' GLU . 83.5 m-20 -92.8 95.9 9.82 Favored 'General case' 0 N--CA 1.496 1.833 0 O-C-N 120.98 -1.306 . . . . 0.0 108.681 179.744 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 97.6 mttt -97.03 -35.7 10.74 Favored 'General case' 0 N--CA 1.496 1.846 0 O-C-N 120.997 -1.064 . . . . 0.0 110.32 -179.378 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 25' ' ' HIS . . . . . . . . . . . . . 77.4 m80 -99.76 0.75 42.31 Favored 'General case' 0 N--CA 1.498 1.942 0 O-C-N 121.264 -0.897 . . . . 0.0 110.177 -179.214 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -127.48 145.71 50.75 Favored 'General case' 0 N--CA 1.501 2.091 0 O-C-N 121.462 -0.774 . . . . 0.0 109.225 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 41.4 tp -115.06 134.39 55.22 Favored 'General case' 0 N--CA 1.498 1.933 0 N-CA-C 108.253 -1.017 . . . . 0.0 108.253 179.892 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 39.2 tttm -97.47 151.22 20.21 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.39 -0.819 . . . . 0.0 110.724 -178.847 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -59.81 -39.57 85.48 Favored 'General case' 0 N--CA 1.498 1.965 0 CA-C-N 116.233 -0.439 . . . . 0.0 109.965 -179.481 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 89.1 p -59.83 -39.89 86.61 Favored 'General case' 0 N--CA 1.496 1.836 0 O-C-N 121.242 -0.911 . . . . 0.0 109.538 -179.538 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 89.8 mt-10 -67.7 -30.9 70.52 Favored 'General case' 0 C--N 1.302 -1.495 0 O-C-N 121.192 -0.942 . . . . 0.0 109.728 179.821 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 32' ' ' LEU . . . . . 0.584 ' O ' HD23 ' B' ' 32' ' ' LEU . 3.5 tt -59.96 -50.4 73.89 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 120.931 -1.105 . . . . 0.0 109.693 -179.308 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 7.8 ttpm? -59.78 -41.39 91.03 Favored 'General case' 0 N--CA 1.496 1.839 0 O-C-N 120.318 -1.489 . . . . 0.0 110.025 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 80.7 mm-40 -63.09 -39.64 95.31 Favored 'General case' 0 C--N 1.299 -1.604 0 O-C-N 120.886 -1.134 . . . . 0.0 109.883 -179.889 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 5.9 tt -60.33 -45.95 91.62 Favored 'General case' 0 C--N 1.301 -1.536 0 O-C-N 121.283 -0.886 . . . . 0.0 109.3 -179.223 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 97.1 mt -60.24 -42.6 90.99 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.405 0 O-C-N 121.149 -0.97 . . . . 0.0 109.786 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 40.5 t30 -60.33 -39.69 87.95 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.466 -0.771 . . . . 0.0 109.902 -179.771 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 13.4 t-20 -42.78 -91.89 0.0 OUTLIER 'General case' 0 N--CA 1.496 1.84 0 O-C-N 121.561 -0.712 . . . . 0.0 110.638 -178.966 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 9.1 mp0 -143.66 44.34 1.49 Allowed 'General case' 0 N--CA 1.5 2.062 0 O-C-N 120.721 -1.237 . . . . 0.0 110.033 -179.441 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 4.0 tp -130.64 10.66 5.18 Favored 'General case' 0 N--CA 1.506 2.344 0 O-C-N 121.036 -1.04 . . . . 0.0 109.36 -179.931 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 41' ' ' SER . . . . . 0.441 ' O ' ' O ' ' B' ' 44' ' ' LEU . 58.5 m -70.54 -25.55 63.16 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.04 -1.038 . . . . 0.0 109.614 -179.673 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 42' ' ' HIS . . . . . . . . . . . . . 74.0 m80 -61.57 -40.24 94.02 Favored 'General case' 0 C--N 1.302 -1.475 0 O-C-N 121.107 -0.996 . . . . 0.0 109.184 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 80.6 m-85 -69.37 -36.48 76.86 Favored 'General case' 0 N--CA 1.495 1.807 0 O-C-N 121.196 -0.94 . . . . 0.0 110.694 -179.431 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 44' ' ' LEU . . . . . 0.441 ' O ' ' O ' ' B' ' 41' ' ' SER . 6.1 mp -106.17 135.46 47.61 Favored 'General case' 0 N--CA 1.505 2.288 0 O-C-N 121.056 -1.027 . . . . 0.0 110.15 -179.613 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 88.2 tt0 -140.3 76.61 1.57 Allowed 'General case' 0 N--CA 1.498 1.932 0 O-C-N 121.155 -0.965 . . . . 0.0 108.945 178.997 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 46' ' ' GLU . . . . . 0.409 ' H ' ' H ' ' B' ' 47' ' ' ILE . 0.9 OUTLIER -173.21 -1.8 0.01 OUTLIER 'General case' 0 N--CA 1.494 1.746 0 O-C-N 121.109 -0.994 . . . . 0.0 109.638 179.991 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 47' ' ' ILE . . . . . 0.409 ' H ' ' H ' ' B' ' 46' ' ' GLU . 95.8 mt -94.18 123.79 46.42 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.079 0 O-C-N 121.126 -0.984 . . . . 0.0 110.024 -179.43 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 53.3 mttm -129.78 -63.29 0.93 Allowed 'General case' 0 N--CA 1.502 2.145 0 O-C-N 121.337 -0.852 . . . . 0.0 109.911 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 49.8 tp10 -95.24 153.03 17.86 Favored 'General case' 0 N--CA 1.497 1.919 0 O-C-N 121.581 -0.699 . . . . 0.0 109.569 -178.952 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 50' ' ' GLN . . . . . 0.44 ' CD ' ' H ' ' B' ' 50' ' ' GLN . 28.5 mp0 -60.09 -32.49 71.01 Favored 'General case' 0 N--CA 1.5 2.055 0 O-C-N 120.973 -1.079 . . . . 0.0 109.82 -179.268 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 75.9 mm-40 -59.61 -39.28 83.7 Favored 'General case' 0 C--N 1.299 -1.599 0 O-C-N 121.606 -0.684 . . . . 0.0 109.292 -179.04 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 55.4 t -60.0 -41.95 87.93 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.85 0 C-N-CA 119.175 -1.01 . . . . 0.0 108.911 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 53.4 t -60.69 -41.52 88.55 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.75 0 O-C-N 121.165 -0.959 . . . . 0.0 109.229 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 67.0 t0 -59.99 -44.98 94.17 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.329 -0.857 . . . . 0.0 110.386 -179.652 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 51.9 tptt -60.09 -46.34 89.91 Favored 'General case' 0 N--CA 1.495 1.793 0 O-C-N 120.767 -1.208 . . . . 0.0 108.473 -179.859 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 53.6 t -61.51 -39.83 84.33 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.599 0 O-C-N 121.359 -0.838 . . . . 0.0 109.701 179.326 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 57' ' ' MET . . . . . 0.445 ' SD ' ' OD1' ' B' ' 61' ' ' ASP . 0.0 OUTLIER -59.3 -40.09 85.1 Favored 'General case' 0 C--N 1.3 -1.583 0 O-C-N 121.168 -0.958 . . . . 0.0 109.558 -178.252 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 53.1 tp10 -61.73 -44.65 96.5 Favored 'General case' 0 N--CA 1.488 1.465 0 O-C-N 120.785 -1.197 . . . . 0.0 109.647 179.594 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 94.1 m -63.93 -40.34 96.22 Favored 'General case' 0 N--CA 1.5 2.054 0 O-C-N 121.152 -0.967 . . . . 0.0 110.871 -178.771 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -67.6 -39.93 84.79 Favored 'General case' 0 N--CA 1.495 1.788 0 O-C-N 121.266 -0.896 . . . . 0.0 110.63 -178.879 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 61' ' ' ASP . . . . . 0.445 ' OD1' ' SD ' ' B' ' 57' ' ' MET . 1.1 m-20 -77.05 117.37 18.56 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 120.792 -1.192 . . . . 0.0 109.126 -179.709 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 65.3 mm-40 -66.41 -41.23 89.58 Favored 'General case' 0 N--CA 1.496 1.833 0 O-C-N 121.3 -0.875 . . . . 0.0 111.068 -179.103 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 63' ' ' ASP . . . . . 0.446 ' OD2' ' OD2' ' B' ' 65' ' ' ASP . 28.1 p-10 -100.12 -0.31 39.19 Favored 'General case' 0 N--CA 1.499 1.989 0 O-C-N 121.246 -0.909 . . . . 0.0 110.311 -178.947 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 59.25 50.7 65.01 Favored Glycine 0 N--CA 1.492 2.416 0 N-CA-C 109.992 -1.243 . . . . 0.0 109.992 179.523 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 65' ' ' ASP . . . . . 0.446 ' OD2' ' OD2' ' B' ' 63' ' ' ASP . 96.7 m-20 -71.08 -22.36 62.12 Favored 'General case' 0 N--CA 1.494 1.768 0 O-C-N 121.378 -1.072 . . . . 0.0 110.683 -179.535 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 90.81 -7.91 80.55 Favored Glycine 0 N--CA 1.498 2.771 0 N-CA-C 109.489 -1.444 . . . . 0.0 109.489 -179.669 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 87.1 tt0 -137.61 141.79 41.26 Favored 'General case' 0 N--CA 1.494 1.761 0 O-C-N 121.492 -1.005 . . . . 0.0 108.755 179.752 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 68' ' ' CYS . . . . . . . . . . . . . 5.0 p -97.96 119.19 36.16 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.263 -0.898 . . . . 0.0 110.621 -178.581 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 69' ' ' ASP . . . . . 0.412 ' OD1' ' C ' ' B' ' 69' ' ' ASP . 39.8 p-10 -93.52 177.72 5.93 Favored 'General case' 0 N--CA 1.5 2.025 0 O-C-N 121.042 -1.036 . . . . 0.0 109.732 179.8 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 62.4 t80 -60.18 -41.22 92.42 Favored 'General case' 0 C--N 1.304 -1.383 0 O-C-N 121.513 -0.742 . . . . 0.0 110.1 -179.594 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 61.9 tt0 -60.24 -44.62 95.08 Favored 'General case' 0 N--CA 1.494 1.766 0 O-C-N 120.878 -1.139 . . . . 0.0 109.918 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -69.99 -29.9 67.1 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.16 -0.963 . . . . 0.0 109.704 179.707 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 73' ' ' PHE . . . . . . . . . . . . . 73.3 t80 -60.01 -44.12 94.78 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 120.98 -1.075 . . . . 0.0 109.13 179.617 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 74' ' ' MET . . . . . . . . . . . . . 8.5 mmt -60.63 -40.1 90.68 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.19 -0.944 . . . . 0.0 109.276 178.952 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -60.78 -40.65 93.38 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.196 -0.94 . . . . 0.0 109.655 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 66.2 t80 -59.99 -43.19 95.32 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 121.284 -0.885 . . . . 0.0 110.792 -179.659 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 77' ' ' VAL . . . . . . . . . . . . . 55.1 t -62.87 -47.22 93.89 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.461 0 O-C-N 120.849 -1.157 . . . . 0.0 108.687 -179.854 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 78' ' ' SER . . . . . . . . . . . . . 58.3 m -61.94 -41.64 98.19 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.239 -0.913 . . . . 0.0 110.692 -179.558 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 79' ' ' MET . . . . . . . . . . . . . 23.7 mmm -62.36 -39.98 94.92 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.102 -0.999 . . . . 0.0 109.95 -179.416 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 55.3 t -68.69 -42.47 83.13 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.71 0 O-C-N 120.861 -1.149 . . . . 0.0 110.59 -179.645 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 16.6 p -64.2 -42.53 96.6 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 120.693 -1.254 . . . . 0.0 109.808 -179.583 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 74.3 p -67.28 -40.35 86.14 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.324 -0.86 . . . . 0.0 109.986 -179.583 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -68.27 -40.84 81.74 Favored 'General case' 0 C--N 1.302 -1.494 0 O-C-N 121.334 -0.854 . . . . 0.0 109.605 -179.4 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 84' ' ' CYS . . . . . . . . . . . . . 9.5 t -72.59 142.62 48.4 Favored 'General case' 0 C--N 1.304 -1.407 0 N-CA-C 108.465 -0.939 . . . . 0.0 108.465 179.642 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 85' ' ' HIS . . . . . . . . . . . . . 49.9 m170 -77.17 141.94 39.88 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.201 -0.937 . . . . 0.0 109.912 -178.967 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 42.1 mt-10 -70.82 -153.65 0.02 OUTLIER 'General case' 0 N--CA 1.487 1.387 0 N-CA-C 108.892 -0.781 . . . . 0.0 108.892 179.348 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 87' ' ' PHE . . . . . . . . . . . . . 35.4 t80 54.77 91.55 0.03 OUTLIER 'General case' 0 N--CA 1.486 1.367 0 O-C-N 121.461 -0.775 . . . . 0.0 109.657 179.74 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 88' ' ' PHE . . . . . 0.546 ' CG ' ' N ' ' B' ' 89' ' ' GLU . 49.6 t80 -153.34 -167.15 2.62 Favored 'General case' 0 N--CA 1.493 1.724 0 N-CA-C 108.298 -1.001 . . . . 0.0 108.298 179.197 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 89' ' ' GLU . . . . . 0.546 ' N ' ' CG ' ' B' ' 88' ' ' PHE . 25.2 mp0 48.73 -140.12 0.71 Allowed 'General case' 0 N--CA 1.494 1.757 0 O-C-N 120.715 -1.241 . . . . 0.0 108.892 -178.743 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 90' ' ' HIS . . . . . . . . . . . . . 41.8 m80 -70.06 150.22 46.83 Favored 'General case' 0 C--N 1.302 -1.472 0 O-C-N 121.31 -0.869 . . . . 0.0 109.38 179.158 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 16.0 pt-20 . . . . . 0 N--CA 1.494 1.748 0 O-C-N 121.075 -1.016 . . . . 0.0 109.926 -179.625 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 92' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 93' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 92' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 93' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 0' ' ' MET . . . . . 0.568 ' SD ' ' N ' ' A' ' 0' ' ' MET . 0.0 OUTLIER . . . . . 0 N--CA 1.49 1.566 0 N-CA-C 109.013 -0.736 . . . . 0.0 109.013 . . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 6.2 m 52.56 72.23 0.42 Allowed 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.06 -1.025 . . . . 0.0 109.697 179.796 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 75.1 mm-40 -59.9 -37.24 78.85 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.309 -0.869 . . . . 0.0 109.71 179.894 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.538 HD11 HG11 ' B' ' 13' ' ' VAL . 69.4 mt -59.97 -40.23 88.39 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.405 -0.81 . . . . 0.0 110.161 -178.981 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 -66.37 -40.16 89.56 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 120.88 -1.138 . . . . 0.0 110.076 -179.492 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' LYS . . . . . 0.527 ' NZ ' ' O ' ' A' ' 0' ' ' MET . 63.2 mttp -68.25 -38.49 81.84 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.115 -0.991 . . . . 0.0 109.667 179.289 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -59.99 -44.91 94.22 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.292 -0.88 . . . . 0.0 110.195 -178.938 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -59.99 -46.28 89.98 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 120.999 -1.063 . . . . 0.0 109.236 -179.95 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 96.5 t -67.16 -38.66 81.54 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.613 0 O-C-N 121.331 -0.856 . . . . 0.0 109.646 -179.833 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -57.08 -48.56 78.29 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.203 -0.936 . . . . 0.0 110.499 -178.669 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 9.6 mp -60.12 -45.99 91.13 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 120.868 -1.145 . . . . 0.0 109.649 -179.509 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 44.1 mm -67.19 -42.88 88.57 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.705 0 O-C-N 120.694 -1.254 . . . . 0.0 109.891 -179.903 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 7.6 t0 -60.04 -49.58 77.09 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.438 -0.789 . . . . 0.0 110.579 -179.109 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.425 HG11 HD11 ' B' ' 3' ' ' LEU . 84.1 t -69.29 -40.84 80.71 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.703 0 O-C-N 120.908 -1.12 . . . . 0.0 110.32 -179.03 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 14' ' ' PHE . . . . . 0.606 ' CE1' ' CE2' ' A' ' 70' ' ' PHE . 25.6 t80 -59.96 -45.37 92.87 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 121.197 -0.939 . . . . 0.0 109.79 -179.15 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 11.5 t-160 -65.16 -41.3 94.81 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.346 -0.846 . . . . 0.0 111.533 -179.128 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 5.1 tm0? -64.79 -52.91 54.33 Favored 'General case' 0 N--CA 1.495 1.814 0 O-C-N 120.937 -1.102 . . . . 0.0 110.982 -178.189 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 54.6 m-85 -70.12 -40.05 75.09 Favored 'General case' 0 N--CA 1.496 1.844 0 O-C-N 120.893 -1.129 . . . . 0.0 110.377 -179.791 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' SER . . . . . 0.493 ' C ' ' H ' ' A' ' 20' ' ' ARG . 78.9 p -67.85 -34.4 76.62 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.158 -0.964 . . . . 0.0 110.408 -179.562 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -69.63 17.82 0.64 Allowed Glycine 0 N--CA 1.493 2.493 0 N-CA-C 110.19 -1.164 . . . . 0.0 110.19 -179.501 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.493 ' H ' ' C ' ' A' ' 18' ' ' SER . 11.7 tpp180 -60.11 -39.93 87.92 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.003 -1.292 . . . . 0.0 109.771 -179.53 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.5 ' C ' ' H ' ' A' ' 23' ' ' ASP . 68.2 tt0 -146.29 56.86 1.18 Allowed 'General case' 0 N--CA 1.498 1.943 0 O-C-N 120.812 -1.18 . . . . 0.0 110.124 -179.518 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 61.86 -4.13 0.56 Allowed Glycine 0 N--CA 1.493 2.473 0 N-CA-C 110.046 -1.222 . . . . 0.0 110.046 179.367 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' ASP . . . . . 0.5 ' H ' ' C ' ' A' ' 21' ' ' GLU . 94.6 m-20 -83.98 63.12 7.41 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.016 -1.285 . . . . 0.0 109.227 -179.736 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 45.8 mtmt -69.93 -38.61 76.25 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.386 -0.822 . . . . 0.0 110.407 -179.617 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 40.7 t-80 -90.08 1.63 56.14 Favored 'General case' 0 N--CA 1.498 1.967 0 O-C-N 121.029 -1.044 . . . . 0.0 111.625 -178.001 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 86.7 mttt -136.84 145.0 43.92 Favored 'General case' 0 N--CA 1.503 2.196 0 O-C-N 120.765 -1.21 . . . . 0.0 111.149 -179.057 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.444 HD11 ' CE2' ' A' ' 14' ' ' PHE . 18.2 mt -120.19 141.79 49.58 Favored 'General case' 0 N--CA 1.497 1.904 0 N-CA-C 108.644 -0.873 . . . . 0.0 108.644 179.179 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.454 ' NZ ' ' OD2' ' A' ' 23' ' ' ASP . 37.9 mttp -98.6 165.89 11.6 Favored 'General case' 0 N--CA 1.499 2.023 0 O-C-N 121.185 -0.947 . . . . 0.0 109.963 179.946 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 13.6 pttm -60.11 -39.79 87.42 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.494 -0.754 . . . . 0.0 109.475 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 22.8 t -61.62 -40.0 93.28 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 121.255 -0.903 . . . . 0.0 109.573 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 42.1 mt-10 -60.69 -40.07 90.85 Favored 'General case' 0 N--CA 1.488 1.436 0 O-C-N 121.182 -0.949 . . . . 0.0 109.81 -179.93 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 90.2 mt -64.6 -39.98 94.7 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.059 -1.026 . . . . 0.0 109.961 -179.308 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 2.4 tmmt? -60.13 -49.82 76.11 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 120.695 -1.253 . . . . 0.0 110.295 -179.106 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 99.3 mt-10 -69.46 -39.36 77.79 Favored 'General case' 0 C--N 1.301 -1.518 0 O-C-N 121.12 -0.988 . . . . 0.0 109.673 -179.922 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.401 ' O ' ' CD ' ' A' ' 39' ' ' GLU . 59.1 tp -60.2 -48.79 80.25 Favored 'General case' 0 N--CA 1.494 1.762 0 O-C-N 121.411 -0.806 . . . . 0.0 111.446 -178.233 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.45 ' O ' ' OE1' ' A' ' 39' ' ' GLU . 1.3 mp -60.08 -40.97 84.86 Favored 'Isoleucine or valine' 0 N--CA 1.504 2.229 0 O-C-N 120.722 -1.236 . . . . 0.0 109.891 -178.406 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 67.0 m-80 -60.37 -38.55 84.25 Favored 'General case' 0 C--N 1.299 -1.624 0 O-C-N 120.624 -1.298 . . . . 0.0 109.847 -179.674 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 21.0 m120 -60.21 -40.87 91.64 Favored 'General case' 0 N--CA 1.495 1.794 0 O-C-N 121.21 -0.931 . . . . 0.0 112.684 -177.837 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 39' ' ' GLU . . . . . 0.499 ' OE1' ' N ' ' A' ' 39' ' ' GLU . 0.0 OUTLIER -108.38 -73.26 0.69 Allowed 'General case' 0 N--CA 1.513 2.679 0 O-C-N 120.785 -1.197 . . . . 0.0 110.545 -178.576 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.479 ' N ' ' OE1' ' A' ' 39' ' ' GLU . 3.0 mp -84.79 81.82 8.71 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.048 -1.033 . . . . 0.0 110.115 -178.479 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 41' ' ' SER . . . . . 0.43 ' OG ' ' N ' ' A' ' 42' ' ' HIS . 1.4 p -102.51 -52.82 3.02 Favored 'General case' 0 N--CA 1.496 1.852 0 N-CA-C 108.78 -0.822 . . . . 0.0 108.78 179.094 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 42' ' ' HIS . . . . . 0.43 ' N ' ' OG ' ' A' ' 41' ' ' SER . 94.0 m-70 -70.01 -36.3 75.0 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.655 -0.653 . . . . 0.0 110.256 -179.808 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 43' ' ' PHE . . . . . 0.46 ' C ' HD12 ' A' ' 44' ' ' LEU . 63.3 m-85 -59.9 -39.96 87.16 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 121.176 -0.952 . . . . 0.0 109.995 -179.195 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.507 ' N ' HD12 ' A' ' 44' ' ' LEU . 7.7 mp -100.06 14.04 32.03 Favored 'General case' 0 N--CA 1.499 1.995 0 O-C-N 121.263 -0.898 . . . . 0.0 109.294 -179.584 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 45' ' ' GLU . . . . . 0.444 ' O ' ' O ' ' A' ' 46' ' ' GLU . 64.6 mm-40 57.06 39.99 28.83 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.631 -0.668 . . . . 0.0 110.221 -179.699 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.444 ' O ' ' O ' ' A' ' 45' ' ' GLU . 95.7 mt-10 46.34 96.34 0.01 OUTLIER 'General case' 0 N--CA 1.494 1.75 0 O-C-N 121.361 -0.837 . . . . 0.0 110.423 178.794 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 91.4 mt -60.4 120.26 5.89 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.636 0 O-C-N 120.956 -1.09 . . . . 0.0 108.804 179.336 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -101.82 -4.43 26.34 Favored 'General case' 0 N--CA 1.499 1.988 0 O-C-N 121.316 -0.865 . . . . 0.0 110.576 -179.279 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 13.6 mm-40 -111.81 131.66 55.19 Favored 'General case' 0 N--CA 1.508 2.458 0 O-C-N 121.09 -1.006 . . . . 0.0 109.356 179.409 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 1.7 mp0 -69.97 -37.09 75.67 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.398 -0.814 . . . . 0.0 109.842 179.802 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 13.4 pt-20 -59.54 -33.62 71.63 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.163 -0.961 . . . . 0.0 110.226 -179.195 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 54.4 t -60.1 -40.8 84.41 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.555 0 O-C-N 120.827 -1.171 . . . . 0.0 108.709 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 54.5 t -61.62 -41.84 91.88 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.498 0 O-C-N 121.171 -0.955 . . . . 0.0 109.174 179.221 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 7.0 t0 -63.28 -41.74 99.03 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.253 -0.904 . . . . 0.0 110.093 -179.89 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -59.9 -48.71 80.58 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.059 -1.026 . . . . 0.0 109.003 -179.832 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 54.5 t -66.07 -41.47 89.63 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.437 0 O-C-N 121.206 -0.934 . . . . 0.0 109.415 179.6 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 28.2 ttt -61.48 -40.03 93.06 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.412 -0.805 . . . . 0.0 109.43 179.776 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 13.8 tm-20 -60.15 -39.96 88.2 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.437 -0.789 . . . . 0.0 110.023 -179.626 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 94.9 m -60.17 -44.46 95.0 Favored 'General case' 0 N--CA 1.496 1.859 0 O-C-N 121.168 -0.957 . . . . 0.0 110.737 -179.186 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.473 ' CD2' ' N ' ' A' ' 60' ' ' LEU . 3.1 mm? -69.14 -40.1 78.46 Favored 'General case' 0 N--CA 1.495 1.807 0 O-C-N 121.024 -1.048 . . . . 0.0 109.929 -179.231 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 91.0 m-20 -80.99 58.03 3.3 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.245 -0.909 . . . . 0.0 109.364 179.885 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 85.4 tt0 -60.09 -32.32 70.85 Favored 'General case' 0 C--N 1.304 -1.374 0 N-CA-C 108.352 -0.981 . . . . 0.0 108.352 179.432 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 63' ' ' ASP . . . . . 0.425 ' OD2' ' OD2' ' A' ' 65' ' ' ASP . 29.0 p30 -77.26 -11.03 59.78 Favored 'General case' 0 N--CA 1.487 1.424 0 O-C-N 121.43 -0.794 . . . . 0.0 109.336 179.73 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 68.47 29.59 73.02 Favored Glycine 0 N--CA 1.493 2.469 0 N-CA-C 110.405 -1.078 . . . . 0.0 110.405 179.142 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 65' ' ' ASP . . . . . 0.425 ' OD2' ' OD2' ' A' ' 63' ' ' ASP . 98.2 m-20 -62.78 -37.25 85.93 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 120.982 -1.305 . . . . 0.0 109.429 179.503 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 95.46 -8.11 68.94 Favored Glycine 0 N--CA 1.496 2.651 0 N-CA-C 109.84 -1.304 . . . . 0.0 109.84 179.874 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 64.7 mm-40 -134.79 147.78 50.05 Favored 'General case' 0 N--CA 1.499 2.006 0 O-C-N 121.311 -1.111 . . . . 0.0 109.315 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 2.1 m -99.45 118.5 36.19 Favored 'General case' 0 N--CA 1.5 2.063 0 O-C-N 121.296 -0.877 . . . . 0.0 109.93 -179.591 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 2.3 p-10 -90.53 179.49 5.83 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.38 -0.825 . . . . 0.0 109.998 179.553 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 70' ' ' PHE . . . . . 0.606 ' CE2' ' CE1' ' A' ' 14' ' ' PHE . 0.3 OUTLIER -59.96 -45.19 93.48 Favored 'General case' 0 N--CA 1.494 1.763 0 O-C-N 121.46 -0.775 . . . . 0.0 110.065 -179.615 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 70.3 tp60 -59.85 -47.28 86.36 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 120.954 -1.091 . . . . 0.0 109.063 -179.279 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 86.0 mt-10 -61.88 -39.83 93.3 Favored 'General case' 0 N--CA 1.487 1.381 0 O-C-N 121.084 -1.01 . . . . 0.0 109.313 179.296 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 51.2 t80 -60.09 -49.99 75.49 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.117 -0.99 . . . . 0.0 109.278 179.652 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 55.9 tpp -60.64 -39.84 89.79 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 121.349 -0.844 . . . . 0.0 109.497 179.567 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -59.07 -39.87 83.44 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.447 -0.783 . . . . 0.0 109.777 -179.17 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 65.5 t80 -59.87 -46.72 88.42 Favored 'General case' 0 C--N 1.301 -1.51 0 O-C-N 121.155 -0.966 . . . . 0.0 108.869 179.798 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 53.6 t -63.92 -40.34 88.68 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.477 0 O-C-N 121.342 -0.849 . . . . 0.0 108.99 179.449 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 40.5 t -62.07 -43.87 97.9 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.434 -0.791 . . . . 0.0 110.606 -179.601 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 28.4 ttt -60.46 -41.1 93.43 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.084 -1.01 . . . . 0.0 110.404 -179.008 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 74.3 t -65.88 -39.98 86.22 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.496 0 O-C-N 121.227 -0.921 . . . . 0.0 109.173 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 83.4 m -60.01 -47.46 85.73 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.349 -0.844 . . . . 0.0 109.881 -179.429 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 40.0 p -67.27 -40.05 86.11 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 120.883 -1.136 . . . . 0.0 109.749 -179.644 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 83' ' ' ALA . . . . . 0.42 ' O ' ' O ' ' A' ' 84' ' ' CYS . . . -61.96 -39.97 93.95 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.301 -0.875 . . . . 0.0 110.104 -179.823 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 84' ' ' CYS . . . . . 0.42 ' O ' ' O ' ' A' ' 83' ' ' ALA . 71.0 m -39.93 159.88 0.01 OUTLIER 'General case' 0 N--CA 1.498 1.955 0 O-C-N 121.504 -0.748 . . . . 0.0 110.564 -179.267 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 92.0 m-70 -94.24 96.56 9.66 Favored 'General case' 0 N--CA 1.494 1.773 0 O-C-N 121.393 -0.817 . . . . 0.0 109.867 -179.297 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 43.73 -154.91 0.02 OUTLIER 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.565 -0.709 . . . . 0.0 109.722 179.3 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 52.2 p90 -87.45 132.36 34.02 Favored 'General case' 0 N--CA 1.494 1.759 0 O-C-N 121.096 -1.003 . . . . 0.0 109.359 179.881 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 5.7 m-85 -52.12 139.91 22.17 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 120.996 -1.065 . . . . 0.0 108.33 179.757 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 47.9 mt-10 -67.93 119.24 12.27 Favored 'General case' 0 C--N 1.302 -1.478 0 O-C-N 121.248 -0.908 . . . . 0.0 109.586 -179.209 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 46.0 t60 -169.18 159.67 9.16 Favored 'General case' 0 N--CA 1.487 1.408 0 N-CA-C 108.711 -0.848 . . . . 0.0 108.711 179.856 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 18.6 pt-20 . . . . . 0 N--CA 1.49 1.566 0 CA-C-O 117.927 -1.035 . . . . 0.0 109.351 179.598 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' B' B ' 0' ' ' MET . . . . . 0.571 ' SD ' ' N ' ' B' ' 0' ' ' MET . 0.0 OUTLIER . . . . . 0 N--CA 1.491 1.6 0 N-CA-C 108.965 -0.754 . . . . 0.0 108.965 . . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 10.7 m 52.71 72.09 0.44 Allowed 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.056 -1.028 . . . . 0.0 109.604 179.729 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 74.9 mm-40 -60.07 -37.31 79.5 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.399 -0.813 . . . . 0.0 109.626 -179.94 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 3' ' ' LEU . . . . . 0.465 HD13 ' HG2' ' A' ' 39' ' ' GLU . 65.7 mt -60.04 -40.27 88.81 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.225 -0.922 . . . . 0.0 110.216 -179.037 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 -66.07 -40.17 90.65 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 120.905 -1.122 . . . . 0.0 109.921 -179.559 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 5' ' ' LYS . . . . . 0.527 ' NZ ' ' O ' ' B' ' 0' ' ' MET . 63.2 mttp -68.4 -38.7 81.55 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.106 -0.997 . . . . 0.0 109.79 179.174 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -59.96 -44.91 94.14 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.16 -0.962 . . . . 0.0 110.102 -178.945 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 7' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -60.08 -45.75 91.88 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 120.979 -1.076 . . . . 0.0 109.227 -179.883 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 92.9 t -67.73 -38.55 80.49 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.643 0 O-C-N 121.261 -0.899 . . . . 0.0 109.656 -179.921 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -56.45 -49.04 75.77 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.265 -0.897 . . . . 0.0 110.544 -178.823 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 9.6 mp -60.14 -46.03 91.04 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 120.887 -1.133 . . . . 0.0 109.74 -179.356 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 44.5 mm -67.16 -42.7 88.44 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.726 0 O-C-N 120.702 -1.249 . . . . 0.0 109.777 -179.937 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 7.6 t0 -60.09 -49.75 76.43 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.25 -0.906 . . . . 0.0 110.586 -179.149 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 13' ' ' VAL . . . . . 0.538 HG11 HD11 ' A' ' 3' ' ' LEU . 93.8 t -69.28 -40.91 80.81 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.748 0 O-C-N 120.956 -1.09 . . . . 0.0 110.26 -178.953 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 14' ' ' PHE . . . . . 0.618 ' CE1' ' CE2' ' B' ' 70' ' ' PHE . 25.9 t80 -60.01 -45.2 93.55 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 121.196 -0.94 . . . . 0.0 109.749 -179.089 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 11.5 t-160 -65.26 -41.48 94.23 Favored 'General case' 0 N--CA 1.494 1.76 0 O-C-N 121.247 -0.908 . . . . 0.0 111.521 -179.177 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 4.8 tm0? -64.59 -52.93 55.0 Favored 'General case' 0 N--CA 1.494 1.772 0 O-C-N 120.883 -1.136 . . . . 0.0 111.006 -178.184 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 56.0 m-85 -69.92 -40.14 75.74 Favored 'General case' 0 N--CA 1.496 1.841 0 O-C-N 120.81 -1.181 . . . . 0.0 110.337 -179.857 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 18' ' ' SER . . . . . 0.501 ' C ' ' H ' ' B' ' 20' ' ' ARG . 80.4 p -67.93 -34.56 76.84 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.192 -0.943 . . . . 0.0 110.366 -179.249 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -69.48 17.91 0.6 Allowed Glycine 0 N--CA 1.494 2.52 0 N-CA-C 110.217 -1.153 . . . . 0.0 110.217 -179.486 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 20' ' ' ARG . . . . . 0.501 ' H ' ' C ' ' B' ' 18' ' ' SER . 11.7 tpp180 -60.17 -39.78 87.65 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 120.972 -1.311 . . . . 0.0 109.797 -179.584 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 21' ' ' GLU . . . . . 0.502 ' C ' ' H ' ' B' ' 23' ' ' ASP . 66.7 tt0 -146.22 57.0 1.19 Allowed 'General case' 0 N--CA 1.498 1.952 0 O-C-N 120.946 -1.096 . . . . 0.0 110.178 -179.531 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . 61.6 -4.08 0.5 Allowed Glycine 0 N--CA 1.493 2.499 0 C-N-CA 119.765 -1.207 . . . . 0.0 110.142 179.491 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 23' ' ' ASP . . . . . 0.502 ' H ' ' C ' ' B' ' 21' ' ' GLU . 96.4 m-20 -84.05 63.37 7.58 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.051 -1.264 . . . . 0.0 109.269 -179.869 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 47.8 mtmt -69.95 -38.45 76.15 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.462 -0.774 . . . . 0.0 110.364 -179.744 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 25' ' ' HIS . . . . . . . . . . . . . 39.5 t-80 -90.07 1.61 56.16 Favored 'General case' 0 N--CA 1.497 1.904 0 O-C-N 121.025 -1.047 . . . . 0.0 111.71 -178.0 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 85.6 mttt -136.92 144.96 43.74 Favored 'General case' 0 N--CA 1.503 2.212 0 O-C-N 120.835 -1.166 . . . . 0.0 111.193 -178.865 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 27' ' ' LEU . . . . . 0.444 HD11 ' CE2' ' B' ' 14' ' ' PHE . 19.8 mt -120.14 141.47 49.82 Favored 'General case' 0 N--CA 1.498 1.953 0 N-CA-C 108.635 -0.876 . . . . 0.0 108.635 179.348 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 37.3 mttp -98.55 165.95 11.58 Favored 'General case' 0 N--CA 1.498 1.961 0 O-C-N 121.149 -0.97 . . . . 0.0 109.862 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 13.0 pttm -60.01 -39.98 87.67 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.399 -0.813 . . . . 0.0 109.485 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 22.7 t -61.49 -40.06 93.22 Favored 'General case' 0 C--N 1.302 -1.461 0 O-C-N 121.291 -0.881 . . . . 0.0 109.563 -179.943 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 40.0 mt-10 -60.51 -40.0 89.81 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 121.248 -0.908 . . . . 0.0 109.914 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 92.7 mt -64.76 -40.16 94.82 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.137 -0.977 . . . . 0.0 109.82 -179.558 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 2.4 tmmt? -60.06 -49.7 76.62 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 120.657 -1.277 . . . . 0.0 110.34 -179.131 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 99.7 mt-10 -69.76 -38.77 76.89 Favored 'General case' 0 C--N 1.299 -1.601 0 O-C-N 121.153 -0.967 . . . . 0.0 109.581 -179.877 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 62.3 tp -60.08 -49.41 77.78 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.486 -0.759 . . . . 0.0 111.436 -178.23 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 36' ' ' ILE . . . . . 0.458 ' O ' ' OE1' ' B' ' 39' ' ' GLU . 1.5 mp -60.11 -40.48 83.5 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.099 0 O-C-N 120.669 -1.269 . . . . 0.0 110.12 -178.239 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 67.2 m-80 -60.61 -38.33 84.35 Favored 'General case' 0 C--N 1.296 -1.74 0 O-C-N 120.505 -1.372 . . . . 0.0 109.918 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 20.7 m120 -60.29 -41.42 93.34 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.328 -0.857 . . . . 0.0 112.618 -177.975 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 39' ' ' GLU . . . . . 0.514 ' OE1' ' N ' ' B' ' 39' ' ' GLU . 0.0 OUTLIER -107.59 -73.4 0.69 Allowed 'General case' 0 N--CA 1.514 2.746 0 O-C-N 120.806 -1.184 . . . . 0.0 110.524 -178.546 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' B' B ' 40' ' ' LEU . . . . . 0.497 ' N ' ' OE1' ' B' ' 39' ' ' GLU . 3.0 mp -85.01 81.72 8.77 Favored 'General case' 0 N--CA 1.494 1.751 0 O-C-N 121.161 -0.962 . . . . 0.0 110.186 -178.464 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 41' ' ' SER . . . . . 0.44 ' OG ' ' N ' ' B' ' 42' ' ' HIS . 1.7 p -102.07 -52.48 3.15 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.276 -0.89 . . . . 0.0 108.695 178.881 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 42' ' ' HIS . . . . . 0.44 ' N ' ' OG ' ' B' ' 41' ' ' SER . 94.3 m-70 -70.04 -36.35 74.97 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.693 -0.63 . . . . 0.0 110.319 -179.737 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 43' ' ' PHE . . . . . 0.459 ' C ' HD12 ' B' ' 44' ' ' LEU . 64.2 m-85 -59.79 -40.25 87.66 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.059 -1.026 . . . . 0.0 109.972 -179.202 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 44' ' ' LEU . . . . . 0.511 HD12 ' N ' ' B' ' 44' ' ' LEU . 7.8 mp -99.98 14.2 31.37 Favored 'General case' 0 N--CA 1.499 2.01 0 O-C-N 121.279 -0.888 . . . . 0.0 109.318 -179.431 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 45' ' ' GLU . . . . . 0.434 ' O ' ' O ' ' B' ' 46' ' ' GLU . 64.6 mm-40 57.09 39.75 28.9 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.707 -0.62 . . . . 0.0 110.346 -179.786 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 46' ' ' GLU . . . . . 0.434 ' O ' ' O ' ' B' ' 45' ' ' GLU . 95.9 mt-10 46.75 95.83 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.129 -0.982 . . . . 0.0 110.396 178.862 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 84.3 mt -60.09 120.0 5.19 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.562 0 O-C-N 120.893 -1.129 . . . . 0.0 108.822 179.28 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -101.46 -4.35 26.99 Favored 'General case' 0 N--CA 1.499 1.997 0 O-C-N 121.356 -0.84 . . . . 0.0 110.617 -179.444 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 13.9 mm-40 -111.77 131.62 55.2 Favored 'General case' 0 N--CA 1.509 2.487 0 O-C-N 121.05 -1.032 . . . . 0.0 109.308 179.492 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 1.7 mp0 -70.13 -36.75 75.01 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 121.367 -0.833 . . . . 0.0 109.911 179.691 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 13.3 pt-20 -59.98 -33.49 72.03 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.181 -0.95 . . . . 0.0 110.269 -179.183 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 54.7 t -60.07 -40.8 84.33 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.551 0 O-C-N 120.859 -1.151 . . . . 0.0 108.77 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 54.1 t -61.75 -41.7 91.57 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.468 0 O-C-N 121.292 -0.88 . . . . 0.0 109.194 179.112 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 7.0 t0 -63.19 -41.93 99.27 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.19 -0.944 . . . . 0.0 110.129 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -60.04 -48.77 80.33 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.107 -0.995 . . . . 0.0 108.937 -179.674 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 54.7 t -65.5 -41.57 91.24 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.559 0 O-C-N 121.219 -0.926 . . . . 0.0 109.287 179.41 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 57' ' ' MET . . . . . . . . . . . . . 28.2 ttt -61.27 -40.24 93.36 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.292 -0.88 . . . . 0.0 109.549 179.83 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 14.0 tm-20 -59.94 -39.97 87.35 Favored 'General case' 0 N--CA 1.488 1.459 0 O-C-N 121.495 -0.753 . . . . 0.0 110.187 -179.735 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 95.3 m -60.23 -45.11 94.36 Favored 'General case' 0 N--CA 1.495 1.815 0 O-C-N 121.135 -0.978 . . . . 0.0 110.73 -179.287 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 60' ' ' LEU . . . . . 0.467 ' CD2' ' N ' ' B' ' 60' ' ' LEU . 3.6 mm? -68.52 -40.01 80.95 Favored 'General case' 0 N--CA 1.496 1.85 0 O-C-N 120.982 -1.074 . . . . 0.0 110.028 -179.279 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 91.0 m-20 -80.98 57.43 3.09 Favored 'General case' 0 N--CA 1.488 1.462 0 O-C-N 121.185 -0.947 . . . . 0.0 109.428 179.899 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 87.4 tt0 -60.18 -31.59 70.27 Favored 'General case' 0 C--N 1.303 -1.418 0 N-CA-C 108.293 -1.003 . . . . 0.0 108.293 179.649 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 63' ' ' ASP . . . . . 0.429 ' OD2' ' OD2' ' B' ' 65' ' ' ASP . 29.4 p30 -77.73 -11.18 59.85 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.348 -0.845 . . . . 0.0 109.29 179.482 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 68.68 29.47 72.77 Favored Glycine 0 N--CA 1.493 2.472 0 N-CA-C 110.505 -1.038 . . . . 0.0 110.505 179.061 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 65' ' ' ASP . . . . . 0.429 ' OD2' ' OD2' ' B' ' 63' ' ' ASP . 98.2 m-20 -63.01 -37.1 85.83 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.047 -1.266 . . . . 0.0 109.204 179.749 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 95.38 -7.9 69.05 Favored Glycine 0 N--CA 1.496 2.678 0 N-CA-C 109.866 -1.294 . . . . 0.0 109.866 179.871 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 64.8 mm-40 -134.9 147.56 49.86 Favored 'General case' 0 N--CA 1.498 1.967 0 O-C-N 121.316 -1.108 . . . . 0.0 109.381 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 68' ' ' CYS . . . . . . . . . . . . . 2.0 m -99.35 118.36 35.83 Favored 'General case' 0 N--CA 1.499 2.002 0 O-C-N 121.367 -0.833 . . . . 0.0 109.942 -179.554 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 2.4 p-10 -90.34 179.53 5.86 Favored 'General case' 0 N--CA 1.494 1.74 0 O-C-N 121.457 -0.777 . . . . 0.0 109.966 179.665 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 70' ' ' PHE . . . . . 0.618 ' CE2' ' CE1' ' B' ' 14' ' ' PHE . 0.2 OUTLIER -60.01 -45.19 93.55 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.425 -0.797 . . . . 0.0 110.077 -179.65 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 70.9 tp60 -60.02 -47.3 86.39 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 120.9 -1.125 . . . . 0.0 109.036 -179.248 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 85.2 mt-10 -61.68 -39.93 93.18 Favored 'General case' 0 N--CA 1.488 1.437 0 O-C-N 121.018 -1.051 . . . . 0.0 109.378 179.294 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 73' ' ' PHE . . . . . . . . . . . . . 53.3 t80 -60.04 -50.03 75.34 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 120.999 -1.063 . . . . 0.0 109.397 179.463 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 74' ' ' MET . . . . . . . . . . . . . 54.8 tpp -60.33 -40.13 89.52 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.32 -0.862 . . . . 0.0 109.462 179.392 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -59.51 -39.29 83.37 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.281 -0.887 . . . . 0.0 109.74 -178.871 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 64.6 t80 -60.0 -46.41 89.56 Favored 'General case' 0 C--N 1.302 -1.486 0 O-C-N 121.112 -0.992 . . . . 0.0 108.826 179.738 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 77' ' ' VAL . . . . . . . . . . . . . 54.2 t -63.9 -40.68 89.93 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.506 0 O-C-N 121.316 -0.865 . . . . 0.0 109.033 179.306 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 78' ' ' SER . . . . . . . . . . . . . 33.7 t -61.64 -44.34 97.16 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.321 -0.862 . . . . 0.0 110.522 -179.686 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 79' ' ' MET . . . . . . . . . . . . . 28.4 ttt -60.09 -41.21 91.99 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.22 -0.925 . . . . 0.0 110.521 -178.922 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 61.6 t -66.08 -39.93 85.8 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.571 0 O-C-N 121.307 -0.871 . . . . 0.0 109.138 -179.893 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 63.3 m -59.84 -46.84 88.02 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.383 -0.823 . . . . 0.0 110.153 -179.508 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 41.0 p -68.04 -39.95 82.97 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 120.88 -1.137 . . . . 0.0 109.672 -179.735 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 83' ' ' ALA . . . . . 0.409 ' O ' ' C ' ' B' ' 84' ' ' CYS . . . -61.66 -40.04 93.52 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.243 -0.911 . . . . 0.0 110.098 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 84' ' ' CYS . . . . . 0.409 ' C ' ' O ' ' B' ' 83' ' ' ALA . 74.7 m -39.99 159.76 0.01 OUTLIER 'General case' 0 N--CA 1.498 1.961 0 O-C-N 121.588 -0.695 . . . . 0.0 110.502 -179.15 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 85' ' ' HIS . . . . . . . . . . . . . 91.8 m-70 -94.28 96.81 9.81 Favored 'General case' 0 N--CA 1.494 1.758 0 O-C-N 121.325 -0.859 . . . . 0.0 109.742 -179.348 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 43.66 -154.77 0.02 OUTLIER 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.516 -0.74 . . . . 0.0 109.843 179.335 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 87' ' ' PHE . . . . . . . . . . . . . 51.4 p90 -87.42 132.36 34.01 Favored 'General case' 0 N--CA 1.494 1.761 0 O-C-N 121.005 -1.059 . . . . 0.0 109.369 179.758 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 5.8 m-85 -52.12 139.97 22.02 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 120.979 -1.075 . . . . 0.0 108.368 179.699 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 46.9 mt-10 -67.73 118.56 11.15 Favored 'General case' 0 C--N 1.302 -1.457 0 O-C-N 121.315 -0.865 . . . . 0.0 109.716 -179.43 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 90' ' ' HIS . . . . . . . . . . . . . 43.7 t60 -168.8 159.94 10.04 Favored 'General case' 0 N--CA 1.488 1.449 0 N-CA-C 108.873 -0.788 . . . . 0.0 108.873 179.877 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 18.3 pt-20 . . . . . 0 N--CA 1.489 1.493 0 CA-C-O 117.901 -1.047 . . . . 0.0 109.269 179.673 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 92' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 93' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' B' B ' 92' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' B' B ' 93' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 63.1 mtm . . . . . 0 N--CA 1.492 1.646 0 N-CA-C 109.143 -0.688 . . . . 0.0 109.143 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 75.6 p -121.21 19.55 11.47 Favored 'General case' 0 N--CA 1.503 2.197 0 O-C-N 121.409 -0.807 . . . . 0.0 110.041 -179.699 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 79.0 mm-40 -61.54 -40.0 93.09 Favored 'General case' 0 C--N 1.299 -1.61 0 O-C-N 121.025 -1.047 . . . . 0.0 110.696 -179.097 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.422 HD13 ' O ' ' A' ' 3' ' ' LEU . 0.3 OUTLIER -54.3 -54.14 44.26 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 120.941 -1.099 . . . . 0.0 109.611 -178.369 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 23.0 pt-20 -64.67 -31.51 72.76 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 120.793 -1.192 . . . . 0.0 110.933 -179.495 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 22.9 tptm -60.6 -40.34 91.43 Favored 'General case' 0 N--CA 1.495 1.793 0 O-C-N 120.525 -1.359 . . . . 0.0 108.986 179.657 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -59.8 -39.88 86.47 Favored 'General case' 0 C--N 1.301 -1.533 0 O-C-N 121.528 -0.733 . . . . 0.0 109.466 -179.683 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 48.3 ttm -60.4 -41.98 94.98 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.107 -0.996 . . . . 0.0 109.46 -179.597 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 53.0 t -67.02 -40.84 86.4 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.659 0 O-C-N 121.261 -0.899 . . . . 0.0 110.15 -179.453 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.38 -45.08 95.86 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 120.992 -1.067 . . . . 0.0 110.545 -178.971 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 33.9 tp -59.98 -48.74 80.47 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.0 -1.062 . . . . 0.0 108.969 -179.284 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 90.5 mt -68.59 -43.63 83.34 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.528 0 O-C-N 121.299 -0.876 . . . . 0.0 109.835 -179.8 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' ASP . . . . . 0.522 ' O ' ' NE2' ' A' ' 16' ' ' GLN . 7.5 t70 -60.5 -49.2 78.49 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.403 -0.811 . . . . 0.0 110.95 -179.289 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 55.1 t -68.22 -42.38 84.62 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.549 0 O-C-N 121.222 -0.924 . . . . 0.0 109.812 -179.284 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' PHE . . . . . 0.446 ' CE1' HD21 ' A' ' 27' ' ' LEU . 16.6 t80 -60.2 -49.76 76.35 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.378 -0.826 . . . . 0.0 111.522 -179.002 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 61.4 m80 -70.61 -41.29 72.46 Favored 'General case' 0 C--N 1.3 -1.568 0 O-C-N 120.972 -1.08 . . . . 0.0 111.298 -178.546 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' GLN . . . . . 0.524 ' OE1' ' N ' ' A' ' 16' ' ' GLN . 0.8 OUTLIER -64.15 -42.01 96.94 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.004 -1.06 . . . . 0.0 110.304 -179.226 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -73.31 -38.94 65.67 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 121.323 -0.861 . . . . 0.0 109.572 -179.776 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 18' ' ' SER . . . . . 0.521 ' C ' ' H ' ' A' ' 20' ' ' ARG . 91.6 p -60.98 -19.99 61.85 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 121.134 -0.979 . . . . 0.0 110.835 -179.056 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -68.44 26.98 0.27 Allowed Glycine 0 N--CA 1.492 2.431 0 N-CA-C 110.353 -1.099 . . . . 0.0 110.353 -179.702 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.521 ' H ' ' C ' ' A' ' 18' ' ' SER . 14.3 mmm180 -60.26 -41.45 93.27 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 120.849 -1.383 . . . . 0.0 110.061 179.901 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.584 ' O ' ' N ' ' A' ' 23' ' ' ASP . 10.6 tp10 -157.85 103.47 1.89 Allowed 'General case' 0 N--CA 1.494 1.743 0 O-C-N 121.142 -0.974 . . . . 0.0 110.678 -179.025 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 57.94 -63.51 0.01 OUTLIER Glycine 0 N--CA 1.5 2.914 0 C-N-CA 120.96 -0.638 . . . . 0.0 111.591 178.455 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' ASP . . . . . 0.584 ' N ' ' O ' ' A' ' 21' ' ' GLU . 24.4 p-10 -61.84 129.23 39.97 Favored 'General case' 0 C--N 1.302 -1.463 0 O-C-N 120.83 -1.394 . . . . 0.0 109.802 -178.796 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 19.2 pttp -119.09 -7.75 10.29 Favored 'General case' 0 N--CA 1.496 1.851 0 O-C-N 121.719 -0.613 . . . . 0.0 110.059 -179.837 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 41.8 p-80 -136.34 17.39 3.17 Favored 'General case' 0 N--CA 1.502 2.139 0 O-C-N 121.15 -0.969 . . . . 0.0 111.127 -178.975 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.435 ' C ' HD22 ' A' ' 27' ' ' LEU . 19.3 ttmm -141.01 145.26 35.69 Favored 'General case' 0 N--CA 1.5 2.026 0 O-C-N 120.815 -1.178 . . . . 0.0 109.613 -179.8 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.813 HD22 ' N ' ' A' ' 27' ' ' LEU . 1.2 mm? -108.57 135.88 49.09 Favored 'General case' 0 N--CA 1.498 1.93 0 N-CA-C 108.574 -0.898 . . . . 0.0 108.574 179.277 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.437 ' H ' ' HB3' ' A' ' 31' ' ' GLU . 8.6 mtmp? -98.59 -178.96 4.16 Favored 'General case' 0 N--CA 1.496 1.832 0 O-C-N 121.485 -0.759 . . . . 0.0 109.105 179.144 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 46.9 mttp -61.32 -55.35 32.73 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.199 -0.938 . . . . 0.0 110.485 -178.733 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 58.8 m -66.58 -40.23 88.85 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.4 -0.813 . . . . 0.0 110.579 -179.022 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.437 ' HB3' ' H ' ' A' ' 28' ' ' LYS . 88.6 tt0 -60.92 -40.14 92.08 Favored 'General case' 0 N--CA 1.495 1.803 0 O-C-N 121.31 -0.869 . . . . 0.0 110.989 -178.467 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.567 ' O ' HD23 ' A' ' 32' ' ' LEU . 1.6 tt -60.88 -41.72 96.57 Favored 'General case' 0 C--N 1.302 -1.457 0 O-C-N 120.995 -1.066 . . . . 0.0 109.705 -178.547 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.09 -44.44 94.79 Favored 'General case' 0 N--CA 1.495 1.795 0 O-C-N 120.568 -1.333 . . . . 0.0 110.087 -179.939 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 54.6 tp10 -61.0 -39.76 90.94 Favored 'General case' 0 N--CA 1.494 1.746 0 O-C-N 121.479 -0.763 . . . . 0.0 110.314 -179.258 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.575 ' O ' HD23 ' A' ' 35' ' ' LEU . 3.2 tt -61.23 -48.48 81.29 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.155 -0.965 . . . . 0.0 110.091 -178.728 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.473 ' O ' ' O ' ' A' ' 40' ' ' LEU . 96.8 mt -61.49 -43.13 96.31 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.68 0 O-C-N 121.235 -0.916 . . . . 0.0 111.133 -178.88 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 14.5 t-20 -62.48 -39.54 93.77 Favored 'General case' 0 N--CA 1.495 1.814 0 O-C-N 120.5 -1.375 . . . . 0.0 111.113 -178.825 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 31.9 m120 -72.44 -67.95 0.51 Allowed 'General case' 0 N--CA 1.492 1.673 0 O-C-N 120.671 -1.268 . . . . 0.0 111.886 -177.824 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 41.2 mt-10 -90.1 -79.39 0.34 Allowed 'General case' 0 N--CA 1.502 2.131 0 O-C-N 120.883 -1.136 . . . . 0.0 113.38 -177.06 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.473 ' O ' ' O ' ' A' ' 36' ' ' ILE . 0.4 OUTLIER -64.52 104.17 0.76 Allowed 'General case' 0 N--CA 1.496 1.849 0 O-C-N 120.805 -1.185 . . . . 0.0 110.69 -176.904 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 28.3 t -158.68 -16.56 0.07 Allowed 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.297 -0.877 . . . . 0.0 109.254 179.057 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 10.3 t60 -62.5 -49.69 74.37 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.395 -0.815 . . . . 0.0 110.377 -179.239 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 81.5 m-85 -70.04 -39.44 75.75 Favored 'General case' 0 N--CA 1.496 1.83 0 O-C-N 121.061 -1.024 . . . . 0.0 110.992 -179.294 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 76.2 mt -103.45 120.29 40.53 Favored 'General case' 0 N--CA 1.498 1.962 0 O-C-N 121.214 -0.929 . . . . 0.0 109.851 -178.967 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -107.68 -0.38 21.88 Favored 'General case' 0 N--CA 1.496 1.858 0 O-C-N 121.522 -0.736 . . . . 0.0 109.68 179.919 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 -81.25 -142.83 0.04 OUTLIER 'General case' 0 N--CA 1.499 2.002 0 O-C-N 120.928 -1.108 . . . . 0.0 110.871 -178.877 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 5.6 mt 63.06 78.76 0.07 OUTLIER 'Isoleucine or valine' 0 N--CA 1.5 2.047 0 O-C-N 121.424 -0.797 . . . . 0.0 109.212 -178.312 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 28.0 tptp -108.11 -24.31 11.61 Favored 'General case' 0 N--CA 1.5 2.046 0 O-C-N 121.439 -0.788 . . . . 0.0 110.299 -179.824 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 79.5 mm-40 -129.99 155.98 45.2 Favored 'General case' 0 N--CA 1.5 2.067 0 O-C-N 121.337 -0.852 . . . . 0.0 109.842 -179.409 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 50' ' ' GLN . . . . . 0.535 ' CD ' ' H ' ' A' ' 50' ' ' GLN . 8.5 mp0 -63.09 -31.0 72.04 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.549 -0.719 . . . . 0.0 109.194 179.898 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 0.4 ' CD ' ' H ' ' A' ' 51' ' ' GLU . 13.5 mp0 -59.88 -39.42 85.25 Favored 'General case' 0 N--CA 1.494 1.746 0 O-C-N 121.157 -0.965 . . . . 0.0 109.04 179.895 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 56.0 t -59.72 -41.09 84.23 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.707 0 O-C-N 121.073 -1.017 . . . . 0.0 109.518 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 54.2 t -60.36 -40.22 83.32 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.832 0 O-C-N 121.073 -1.017 . . . . 0.0 109.313 179.633 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 9.5 t70 -59.74 -43.33 94.27 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.417 -0.802 . . . . 0.0 109.356 -178.571 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 25.1 ttpp -61.46 -40.0 92.91 Favored 'General case' 0 C--N 1.3 -1.576 0 O-C-N 121.043 -1.036 . . . . 0.0 108.36 179.258 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 53.0 t -69.88 -40.54 78.96 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.351 0 O-C-N 121.21 -0.931 . . . . 0.0 109.641 -179.918 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 12.6 tpt -60.37 -40.67 91.63 Favored 'General case' 0 N--CA 1.496 1.847 0 O-C-N 121.043 -1.035 . . . . 0.0 110.656 -179.584 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 48.2 mt-10 -61.94 -41.57 98.11 Favored 'General case' 0 N--CA 1.495 1.812 0 O-C-N 120.883 -1.135 . . . . 0.0 109.778 -179.288 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 85.3 m -70.04 -41.77 73.78 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.192 -0.942 . . . . 0.0 109.752 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.404 ' O ' ' N ' ' A' ' 62' ' ' GLU . 55.8 tp -66.87 -41.27 87.58 Favored 'General case' 0 N--CA 1.495 1.819 0 O-C-N 121.069 -1.019 . . . . 0.0 110.036 -179.354 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 37.7 t70 -71.13 62.44 0.31 Allowed 'General case' 0 N--CA 1.49 1.551 0 O-C-N 120.914 -1.116 . . . . 0.0 109.975 -179.246 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 62' ' ' GLU . . . . . 0.404 ' N ' ' O ' ' A' ' 60' ' ' LEU . 78.9 tt0 -69.78 -35.72 75.12 Favored 'General case' 0 N--CA 1.489 1.487 0 N-CA-C 108.864 -0.791 . . . . 0.0 108.864 178.556 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 74.9 m-20 -59.55 -26.53 65.44 Favored 'General case' 0 C--N 1.305 -1.341 0 O-C-N 121.485 -0.76 . . . . 0.0 109.591 -179.293 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 80.07 17.9 73.39 Favored Glycine 0 N--CA 1.49 2.266 0 N-CA-C 109.087 -1.605 . . . . 0.0 109.087 -179.752 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 45.2 p-10 -93.43 -12.98 28.55 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.332 -1.099 . . . . 0.0 109.38 -179.86 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 76.34 6.56 83.9 Favored Glycine 0 N--CA 1.49 2.247 0 C-N-CA 120.047 -1.073 . . . . 0.0 110.577 178.758 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 74.3 mm-40 -139.01 149.84 45.14 Favored 'General case' 0 N--CA 1.496 1.851 0 O-C-N 121.223 -1.163 . . . . 0.0 109.051 -179.86 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 43.3 t -95.64 117.79 31.12 Favored 'General case' 0 N--CA 1.5 2.053 0 O-C-N 121.052 -1.03 . . . . 0.0 109.01 179.205 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 98.1 m-20 -89.95 170.66 10.18 Favored 'General case' 0 N--CA 1.498 1.946 0 O-C-N 121.512 -0.743 . . . . 0.0 109.627 -179.437 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 70.1 t80 -59.68 -49.05 79.26 Favored 'General case' 0 N--CA 1.494 1.745 0 O-C-N 120.961 -1.087 . . . . 0.0 109.561 -179.824 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 14.8 pt20 -60.2 -40.01 88.57 Favored 'General case' 0 C--N 1.304 -1.38 0 O-C-N 121.087 -1.008 . . . . 0.0 109.124 179.636 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -66.4 -39.51 89.07 Favored 'General case' 0 N--CA 1.489 1.522 0 N-CA-C 109.223 -0.658 . . . . 0.0 109.223 179.055 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 68.7 t80 -60.45 -39.63 88.24 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.179 -0.951 . . . . 0.0 109.505 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 25.0 tpp -59.92 -40.13 87.83 Favored 'General case' 0 N--CA 1.493 1.723 0 N-CA-C 108.007 -1.109 . . . . 0.0 108.007 179.559 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -60.0 -38.29 82.18 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.448 -0.783 . . . . 0.0 110.009 179.826 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 72.8 t80 -59.6 -45.49 91.77 Favored 'General case' 0 N--CA 1.494 1.746 0 O-C-N 121.051 -1.031 . . . . 0.0 109.548 -179.48 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 55.9 t -60.1 -42.13 88.89 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.551 0 O-C-N 121.16 -0.963 . . . . 0.0 108.767 179.469 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 85.5 p -69.05 -36.7 77.98 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.317 -0.864 . . . . 0.0 109.688 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 51.8 ttm -59.73 -40.64 88.71 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 120.971 -1.081 . . . . 0.0 110.15 -179.232 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 57.0 t -66.79 -39.94 84.78 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.476 0 C-N-CA 119.044 -1.062 . . . . 0.0 109.289 -179.697 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 92.4 m -69.64 -41.89 74.99 Favored 'General case' 0 C--N 1.301 -1.519 0 O-C-N 121.285 -0.884 . . . . 0.0 110.153 -179.257 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 27.4 p -62.27 -39.48 93.08 Favored 'General case' 0 N--CA 1.495 1.798 0 O-C-N 121.192 -0.943 . . . . 0.0 110.384 -179.672 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -59.92 -42.46 93.98 Favored 'General case' 0 C--N 1.299 -1.604 0 O-C-N 121.075 -1.015 . . . . 0.0 108.637 -179.406 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 71.2 m -80.99 137.23 36.08 Favored 'General case' 0 N--CA 1.494 1.748 0 O-C-N 121.136 -0.978 . . . . 0.0 109.183 178.391 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 23.0 p-80 -71.06 168.89 16.14 Favored 'General case' 0 N--CA 1.493 1.68 0 N-CA-C 108.041 -1.096 . . . . 0.0 108.041 179.34 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 81.8 tt0 -52.27 122.08 8.05 Favored 'General case' 0 N--CA 1.488 1.429 0 O-C-N 120.767 -1.208 . . . . 0.0 108.603 -179.616 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 67.2 t80 -152.76 106.95 3.12 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.197 -0.939 . . . . 0.0 110.16 -178.872 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 88' ' ' PHE . . . . . 0.588 ' CG ' ' O ' ' A' ' 88' ' ' PHE . 8.3 p90 -153.02 88.49 1.32 Allowed 'General case' 0 N--CA 1.491 1.578 0 CA-C-O 121.76 0.791 . . . . 0.0 109.247 179.85 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 50.7 mt-10 -93.2 117.78 30.47 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 120.895 -1.128 . . . . 0.0 109.55 -179.579 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 90' ' ' HIS . . . . . 0.432 ' ND1' ' O ' ' A' ' 91' ' ' GLU . 58.9 t-80 -144.17 131.36 20.67 Favored 'General case' 0 N--CA 1.493 1.702 0 N-CA-C 108.864 -0.791 . . . . 0.0 108.864 179.559 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 91' ' ' GLU . . . . . 0.432 ' O ' ' ND1' ' A' ' 90' ' ' HIS . 99.6 mt-10 . . . . . 0 N--CA 1.493 1.678 0 CA-C-O 118.107 -0.949 . . . . 0.0 109.773 -179.611 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 0' ' ' MET . . . . . . . . . . . . . 62.6 mtm . . . . . 0 N--CA 1.489 1.48 0 N-CA-C 109.078 -0.712 . . . . 0.0 109.078 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 68.2 p -122.38 19.82 10.51 Favored 'General case' 0 N--CA 1.498 1.968 0 O-C-N 121.498 -0.751 . . . . 0.0 109.956 -179.539 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 77.3 mm-40 -61.11 -39.98 92.03 Favored 'General case' 0 C--N 1.3 -1.573 0 O-C-N 121.301 -0.874 . . . . 0.0 110.685 -179.487 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 3' ' ' LEU . . . . . 0.437 HD13 ' O ' ' B' ' 3' ' ' LEU . 0.2 OUTLIER -54.62 -55.04 33.66 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.02 -1.05 . . . . 0.0 109.677 -178.463 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 23.4 pt-20 -63.8 -32.17 73.59 Favored 'General case' 0 C--N 1.299 -1.596 0 O-C-N 120.686 -1.259 . . . . 0.0 110.716 -179.543 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 23.2 tptm -60.46 -40.17 90.23 Favored 'General case' 0 N--CA 1.498 1.947 0 O-C-N 120.627 -1.296 . . . . 0.0 109.052 -179.884 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -59.83 -40.04 87.13 Favored 'General case' 0 C--N 1.301 -1.537 0 O-C-N 121.277 -0.889 . . . . 0.0 109.496 -179.837 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 7' ' ' MET . . . . . . . . . . . . . 49.4 ttm -60.02 -41.04 91.32 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.11 -0.993 . . . . 0.0 109.463 -179.894 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 55.1 t -68.08 -40.15 82.59 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.618 0 O-C-N 121.158 -0.964 . . . . 0.0 110.221 -179.497 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -62.36 -44.58 96.14 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.041 -1.037 . . . . 0.0 110.433 -179.298 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 28.2 tp -59.86 -48.55 81.26 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 120.904 -1.123 . . . . 0.0 109.126 -179.368 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 96.3 mt -69.09 -42.75 81.99 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.646 0 O-C-N 121.046 -1.034 . . . . 0.0 110.063 -179.653 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 12' ' ' ASP . . . . . 0.511 ' O ' ' NE2' ' B' ' 16' ' ' GLN . 7.4 t70 -60.99 -49.82 75.88 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.483 -0.761 . . . . 0.0 111.089 -179.229 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 55.8 t -67.82 -42.11 85.66 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.511 0 O-C-N 121.359 -0.838 . . . . 0.0 109.738 -179.561 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 14' ' ' PHE . . . . . 0.451 ' CE1' HD21 ' B' ' 27' ' ' LEU . 14.6 t80 -60.39 -49.68 76.62 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.496 -0.753 . . . . 0.0 111.151 -178.828 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 57.1 m80 -70.78 -41.37 71.76 Favored 'General case' 0 C--N 1.297 -1.677 0 O-C-N 120.991 -1.068 . . . . 0.0 111.165 -178.524 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 16' ' ' GLN . . . . . 0.521 ' N ' ' OE1' ' B' ' 16' ' ' GLN . 0.9 OUTLIER -63.97 -43.0 97.08 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.087 -1.008 . . . . 0.0 110.131 -179.257 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -72.48 -38.29 68.23 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.032 -1.042 . . . . 0.0 109.781 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 18' ' ' SER . . . . . 0.53 ' C ' ' H ' ' B' ' 20' ' ' ARG . 86.8 p -61.29 -20.13 62.54 Favored 'General case' 0 N--CA 1.496 1.866 0 O-C-N 121.156 -0.965 . . . . 0.0 110.834 -178.827 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -68.58 27.53 0.28 Allowed Glycine 0 N--CA 1.493 2.48 0 O-C-N 120.868 -1.145 . . . . 0.0 110.336 -179.699 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 20' ' ' ARG . . . . . 0.53 ' H ' ' C ' ' B' ' 18' ' ' SER . 14.8 mmm180 -60.08 -41.1 91.73 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 120.984 -1.303 . . . . 0.0 109.831 179.8 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 21' ' ' GLU . . . . . 0.57 ' O ' ' N ' ' B' ' 23' ' ' ASP . 12.3 tp10 -158.71 103.6 1.73 Allowed 'General case' 0 N--CA 1.493 1.683 0 O-C-N 120.921 -1.112 . . . . 0.0 110.531 -178.912 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . 59.32 -66.78 0.01 OUTLIER Glycine 0 N--CA 1.497 2.712 0 O-C-N 121.346 -0.846 . . . . 0.0 111.457 178.438 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 23' ' ' ASP . . . . . 0.57 ' N ' ' O ' ' B' ' 21' ' ' GLU . 26.1 p-10 -59.65 129.76 43.48 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 120.919 -1.342 . . . . 0.0 109.914 -178.67 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 24' ' ' LYS . . . . . 0.445 ' O ' ' OG ' ' B' ' 18' ' ' SER . 19.3 pttp -119.17 -7.83 10.24 Favored 'General case' 0 N--CA 1.496 1.826 0 O-C-N 121.773 -0.579 . . . . 0.0 109.985 179.703 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 25' ' ' HIS . . . . . . . . . . . . . 41.4 p-80 -136.09 17.77 3.22 Favored 'General case' 0 N--CA 1.499 2.017 0 O-C-N 121.016 -1.053 . . . . 0.0 111.138 -178.974 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 26' ' ' LYS . . . . . 0.453 ' C ' HD22 ' B' ' 27' ' ' LEU . 18.4 ttmm -141.66 144.59 34.21 Favored 'General case' 0 N--CA 1.498 1.95 0 O-C-N 120.931 -1.106 . . . . 0.0 110.107 -179.633 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 27' ' ' LEU . . . . . 0.837 ' N ' HD22 ' B' ' 27' ' ' LEU . 1.4 mm? -107.57 135.46 48.99 Favored 'General case' 0 N--CA 1.498 1.971 0 O-C-N 121.411 -0.805 . . . . 0.0 109.068 179.249 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 28' ' ' LYS . . . . . 0.457 ' H ' ' HB3' ' B' ' 31' ' ' GLU . 8.8 mtmp? -98.82 -179.33 4.25 Favored 'General case' 0 N--CA 1.497 1.878 0 N-CA-C 108.943 -0.762 . . . . 0.0 108.943 178.849 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 48.2 mttp -60.88 -54.76 41.1 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.074 -1.017 . . . . 0.0 110.542 -178.865 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 69.7 m -67.06 -40.19 87.04 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 121.344 -0.848 . . . . 0.0 110.515 -179.024 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 31' ' ' GLU . . . . . 0.457 ' HB3' ' H ' ' B' ' 28' ' ' LYS . 88.6 tt0 -60.96 -40.49 93.55 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.343 -0.848 . . . . 0.0 110.788 -178.393 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 32' ' ' LEU . . . . . 0.541 ' O ' HD23 ' B' ' 32' ' ' LEU . 1.5 tt -60.55 -41.81 95.3 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 120.866 -1.146 . . . . 0.0 110.002 -178.412 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.4 -43.89 96.24 Favored 'General case' 0 N--CA 1.497 1.897 0 O-C-N 120.688 -1.257 . . . . 0.0 110.094 -179.872 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 54.6 tp10 -61.21 -40.26 93.31 Favored 'General case' 0 N--CA 1.494 1.761 0 O-C-N 121.355 -0.841 . . . . 0.0 109.923 -179.384 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 35' ' ' LEU . . . . . 0.58 ' O ' HD23 ' B' ' 35' ' ' LEU . 2.8 tt -60.44 -48.48 81.56 Favored 'General case' 0 N--CA 1.495 1.782 0 O-C-N 121.238 -0.913 . . . . 0.0 110.354 -179.099 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 36' ' ' ILE . . . . . 0.446 ' O ' ' O ' ' B' ' 40' ' ' LEU . 97.6 mt -62.08 -42.08 93.62 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.576 0 O-C-N 121.148 -0.97 . . . . 0.0 111.108 -178.681 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 13.5 t-20 -63.51 -39.71 95.15 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 120.781 -1.199 . . . . 0.0 110.778 -178.469 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 32.8 m120 -71.51 -67.69 0.5 Allowed 'General case' 0 N--CA 1.492 1.636 0 O-C-N 120.95 -1.094 . . . . 0.0 112.194 -177.95 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -91.26 -79.82 0.36 Allowed 'General case' 0 N--CA 1.502 2.138 0 O-C-N 120.699 -1.251 . . . . 0.0 113.388 -176.996 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 40' ' ' LEU . . . . . 0.446 ' O ' ' O ' ' B' ' 36' ' ' ILE . 0.4 OUTLIER -62.84 103.23 0.42 Allowed 'General case' 0 N--CA 1.496 1.84 0 O-C-N 120.986 -1.072 . . . . 0.0 110.755 -177.193 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 24.6 t -158.69 -15.61 0.07 Allowed 'General case' 0 C--N 1.299 -1.591 0 C-N-CA 119.935 -0.706 . . . . 0.0 109.343 178.836 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 42' ' ' HIS . . . . . . . . . . . . . 10.8 t60 -62.59 -49.94 73.23 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.178 -0.951 . . . . 0.0 110.264 -179.32 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 82.2 m-85 -70.29 -39.19 75.02 Favored 'General case' 0 N--CA 1.495 1.795 0 O-C-N 121.369 -0.832 . . . . 0.0 111.047 -178.899 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 85.1 mt -103.11 120.62 41.02 Favored 'General case' 0 N--CA 1.496 1.873 0 O-C-N 121.074 -1.016 . . . . 0.0 109.593 -178.972 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -109.11 2.93 21.44 Favored 'General case' 0 N--CA 1.497 1.895 0 O-C-N 121.423 -0.798 . . . . 0.0 109.673 179.74 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 -84.45 -142.63 0.08 Allowed 'General case' 0 N--CA 1.496 1.843 0 O-C-N 120.891 -1.131 . . . . 0.0 110.498 -178.825 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 5.1 mt 63.39 79.83 0.07 OUTLIER 'Isoleucine or valine' 0 N--CA 1.497 1.892 0 O-C-N 121.395 -0.816 . . . . 0.0 109.039 -178.351 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 27.4 tptp -109.12 -24.07 11.34 Favored 'General case' 0 N--CA 1.501 2.119 0 O-C-N 121.557 -0.714 . . . . 0.0 110.145 -179.468 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 79.3 mm-40 -130.15 156.02 45.26 Favored 'General case' 0 N--CA 1.498 1.947 0 O-C-N 121.473 -0.767 . . . . 0.0 109.703 -179.305 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 50' ' ' GLN . . . . . 0.557 ' CD ' ' H ' ' B' ' 50' ' ' GLN . 8.1 mp0 -63.35 -30.33 71.48 Favored 'General case' 0 C--N 1.302 -1.465 0 O-C-N 121.443 -0.785 . . . . 0.0 108.883 179.699 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 14.3 mp0 -60.2 -39.07 85.25 Favored 'General case' 0 N--CA 1.495 1.81 0 O-C-N 121.104 -0.997 . . . . 0.0 109.251 179.714 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 54.5 t -60.29 -40.89 85.14 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.581 0 O-C-N 121.217 -0.927 . . . . 0.0 109.35 -179.835 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 53.0 t -61.0 -39.95 83.94 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.766 0 O-C-N 121.165 -0.959 . . . . 0.0 109.385 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 8.7 t70 -59.57 -41.75 90.93 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.287 -0.883 . . . . 0.0 109.356 -178.525 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 24.2 ttpp -62.73 -39.9 95.54 Favored 'General case' 0 N--CA 1.488 1.464 0 O-C-N 121.083 -1.011 . . . . 0.0 108.364 179.066 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 79.2 t -69.98 -40.83 79.09 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.41 0 O-C-N 121.232 -0.917 . . . . 0.0 109.681 179.854 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 57' ' ' MET . . . . . . . . . . . . . 13.1 tpt -60.46 -40.13 90.1 Favored 'General case' 0 N--CA 1.496 1.83 0 O-C-N 121.131 -0.98 . . . . 0.0 110.654 -179.279 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 48.0 mt-10 -62.33 -40.72 97.29 Favored 'General case' 0 N--CA 1.495 1.816 0 O-C-N 120.795 -1.191 . . . . 0.0 110.205 -179.427 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 89.6 m -71.09 -40.31 71.62 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.529 -0.732 . . . . 0.0 110.017 -179.816 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 58.8 tp -68.69 -39.83 80.33 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.226 -0.921 . . . . 0.0 109.986 -179.706 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 37.4 t70 -72.24 62.64 0.5 Allowed 'General case' 0 N--CA 1.488 1.461 0 O-C-N 121.119 -0.988 . . . . 0.0 109.747 -179.209 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 77.4 tt0 -70.2 -34.99 73.61 Favored 'General case' 0 N--CA 1.49 1.529 0 N-CA-C 108.845 -0.798 . . . . 0.0 108.845 178.809 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 74.7 m-20 -60.14 -27.65 67.25 Favored 'General case' 0 N--CA 1.488 1.449 0 O-C-N 121.301 -0.874 . . . . 0.0 109.505 -179.522 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 81.2 17.22 72.33 Favored Glycine 0 N--CA 1.487 2.1 0 N-CA-C 108.91 -1.676 . . . . 0.0 108.91 -179.603 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 47.0 p-10 -92.3 -12.87 31.32 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.294 -1.121 . . . . 0.0 109.653 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 76.48 7.11 85.18 Favored Glycine 0 N--CA 1.491 2.309 0 C-N-CA 119.844 -1.17 . . . . 0.0 110.488 178.622 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 74.2 mm-40 -139.94 149.46 43.33 Favored 'General case' 0 N--CA 1.498 1.929 0 O-C-N 121.339 -1.095 . . . . 0.0 108.865 -179.886 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 68' ' ' CYS . . . . . . . . . . . . . 48.1 t -95.82 118.23 32.07 Favored 'General case' 0 N--CA 1.499 1.993 0 O-C-N 121.062 -1.023 . . . . 0.0 109.013 179.174 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 98.0 m-20 -89.67 170.79 10.16 Favored 'General case' 0 N--CA 1.496 1.852 0 O-C-N 121.647 -0.658 . . . . 0.0 109.714 -179.431 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 71.3 t80 -59.84 -49.17 78.76 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.104 -0.998 . . . . 0.0 109.515 -179.894 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 14.2 pt20 -60.26 -40.13 89.25 Favored 'General case' 0 C--N 1.302 -1.496 0 O-C-N 121.046 -1.034 . . . . 0.0 108.984 179.665 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 83.4 tt0 -66.13 -40.04 90.33 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.499 -0.751 . . . . 0.0 109.364 179.08 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 73' ' ' PHE . . . . . . . . . . . . . 70.9 t80 -60.06 -39.72 86.98 Favored 'General case' 0 N--CA 1.495 1.806 0 O-C-N 121.312 -0.867 . . . . 0.0 109.482 179.723 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 74' ' ' MET . . . . . . . . . . . . . 29.0 tpp -59.95 -39.71 86.49 Favored 'General case' 0 N--CA 1.495 1.808 0 N-CA-C 107.942 -1.133 . . . . 0.0 107.942 179.508 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -60.66 -37.88 83.02 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.437 -0.789 . . . . 0.0 110.023 179.653 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 73.4 t80 -59.95 -45.02 93.99 Favored 'General case' 0 N--CA 1.495 1.803 0 O-C-N 121.018 -1.051 . . . . 0.0 109.476 -179.476 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 77' ' ' VAL . . . . . . . . . . . . . 55.6 t -60.38 -41.89 88.92 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.537 0 O-C-N 121.153 -0.967 . . . . 0.0 109.022 179.384 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 78' ' ' SER . . . . . . . . . . . . . 83.9 p -69.32 -36.34 76.85 Favored 'General case' 0 C--N 1.303 -1.456 0 O-C-N 121.375 -0.828 . . . . 0.0 109.857 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 79' ' ' MET . . . . . . . . . . . . . 51.4 ttm -59.73 -41.18 90.33 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 120.986 -1.071 . . . . 0.0 110.287 -179.441 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 57.5 t -66.42 -40.31 86.26 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.406 0 O-C-N 121.055 -1.028 . . . . 0.0 109.168 -179.339 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 92.6 m -69.43 -41.4 76.37 Favored 'General case' 0 C--N 1.3 -1.545 0 O-C-N 121.226 -0.921 . . . . 0.0 110.084 -179.494 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 22.8 p -62.86 -38.97 92.96 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.222 -0.924 . . . . 0.0 110.077 -179.428 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -60.06 -42.74 95.17 Favored 'General case' 0 C--N 1.301 -1.542 0 O-C-N 121.04 -1.038 . . . . 0.0 108.483 -179.438 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 84' ' ' CYS . . . . . . . . . . . . . 73.7 m -80.67 137.48 36.32 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.368 -0.832 . . . . 0.0 108.968 178.718 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 85' ' ' HIS . . . . . . . . . . . . . 19.7 p-80 -71.65 168.9 16.71 Favored 'General case' 0 N--CA 1.494 1.752 0 O-C-N 120.885 -1.134 . . . . 0.0 108.219 179.15 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 79.7 tt0 -52.44 121.82 7.71 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 120.862 -1.149 . . . . 0.0 108.411 -179.681 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 87' ' ' PHE . . . . . . . . . . . . . 68.6 t80 -153.08 106.68 3.04 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.32 -0.863 . . . . 0.0 109.888 -178.836 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 88' ' ' PHE . . . . . 0.581 ' CG ' ' O ' ' B' ' 88' ' ' PHE . 8.1 p90 -152.32 86.09 1.28 Allowed 'General case' 0 N--CA 1.494 1.737 0 O-C-N 121.313 -0.867 . . . . 0.0 109.236 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 49.0 mt-10 -91.16 116.86 29.15 Favored 'General case' 0 N--CA 1.494 1.739 0 O-C-N 120.683 -1.26 . . . . 0.0 109.926 -179.504 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 90' ' ' HIS . . . . . 0.419 ' ND1' ' O ' ' B' ' 91' ' ' GLU . 59.5 t-80 -142.77 130.59 21.59 Favored 'General case' 0 N--CA 1.498 1.927 0 O-C-N 121.454 -0.779 . . . . 0.0 109.138 179.459 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 91' ' ' GLU . . . . . 0.419 ' O ' ' ND1' ' B' ' 90' ' ' HIS . 99.2 mt-10 . . . . . 0 N--CA 1.496 1.851 0 CA-C-O 117.882 -1.056 . . . . 0.0 109.886 -179.474 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 92' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 93' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' B' B ' 92' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' B' B ' 93' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 12.1 ptp . . . . . 0 N--CA 1.491 1.59 0 N-CA-C 109.322 -0.622 . . . . 0.0 109.322 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 20.9 t -163.27 -162.79 0.77 Allowed 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.208 -0.933 . . . . 0.0 109.93 -179.691 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 39.7 tt0 -60.1 -39.93 87.89 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.444 -0.785 . . . . 0.0 109.799 -179.736 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 57.1 mt -59.95 -37.06 78.46 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.168 -0.957 . . . . 0.0 109.618 -179.453 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 83.6 tt0 -59.98 -43.79 94.89 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 120.998 -1.064 . . . . 0.0 109.157 -179.586 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 61.0 mttp -68.43 -39.98 81.34 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 120.946 -1.096 . . . . 0.0 109.108 179.713 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -61.91 -47.42 85.01 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.313 -0.867 . . . . 0.0 109.263 179.821 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 43.9 tpp -60.01 -45.7 91.91 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.292 -0.88 . . . . 0.0 108.939 179.641 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 58.9 t -69.16 -40.9 81.09 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.5 0 O-C-N 121.567 -0.708 . . . . 0.0 109.574 -179.589 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -63.32 -44.47 94.87 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.269 -0.895 . . . . 0.0 110.131 -179.591 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 56.8 tp -60.07 -49.31 78.16 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.232 -0.918 . . . . 0.0 110.161 -179.483 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 96.9 mt -66.22 -40.0 85.77 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.486 0 O-C-N 121.105 -0.997 . . . . 0.0 110.074 -179.516 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 97.5 m-20 -60.27 -40.03 88.92 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.192 -0.943 . . . . 0.0 110.742 -179.268 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 54.5 t -68.75 -41.87 82.67 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.624 0 O-C-N 120.755 -1.215 . . . . 0.0 109.394 -179.414 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 80.7 t80 -60.04 -49.99 75.48 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.179 -0.95 . . . . 0.0 110.71 -179.774 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 20.4 t60 -65.02 -45.98 83.25 Favored 'General case' 0 N--CA 1.494 1.77 0 O-C-N 121.151 -0.968 . . . . 0.0 110.532 -179.049 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 11.4 tm0? -60.0 -41.38 91.96 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.165 -0.96 . . . . 0.0 110.161 -179.16 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 1.1 t80 -69.89 -40.08 75.87 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.1 -1.0 . . . . 0.0 109.423 -179.703 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 40.6 t -60.35 -39.93 88.92 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 121.309 -0.869 . . . . 0.0 109.584 -179.909 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -76.88 -9.43 86.59 Favored Glycine 0 N--CA 1.489 2.194 0 N-CA-C 110.233 -1.147 . . . . 0.0 110.233 -179.224 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -60.71 -42.64 97.63 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 120.994 -1.298 . . . . 0.0 108.553 179.919 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.468 ' OE1' ' N ' ' A' ' 22' ' ' GLY . 1.6 tm-20 -97.75 164.61 12.32 Favored 'General case' 0 N--CA 1.5 2.054 0 O-C-N 121.135 -0.978 . . . . 0.0 108.789 179.122 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 22' ' ' GLY . . . . . 0.468 ' N ' ' OE1' ' A' ' 21' ' ' GLU . . . -57.07 -23.89 48.54 Favored Glycine 0 N--CA 1.491 2.312 0 N-CA-C 110.459 -1.056 . . . . 0.0 110.459 -179.662 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 96.3 m-20 -79.98 86.08 5.51 Favored 'General case' 0 N--CA 1.497 1.898 0 O-C-N 120.884 -1.362 . . . . 0.0 110.217 -179.289 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 31.2 mtmm -70.69 -39.97 73.19 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.474 -0.766 . . . . 0.0 111.089 -179.929 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -68.6 -34.29 75.53 Favored 'General case' 0 N--CA 1.498 1.955 0 O-C-N 121.268 -0.895 . . . . 0.0 112.237 -177.193 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 15.9 ptpt -149.34 170.03 19.46 Favored 'General case' 0 N--CA 1.5 2.054 0 O-C-N 120.476 -1.39 . . . . 0.0 111.567 -177.636 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 4.7 mp -110.89 139.98 45.76 Favored 'General case' 0 N--CA 1.496 1.869 0 N-CA-C 109.069 -0.715 . . . . 0.0 109.069 179.805 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 11.5 pttp -101.5 -177.86 3.56 Favored 'General case' 0 N--CA 1.502 2.16 0 O-C-N 121.343 -0.848 . . . . 0.0 110.205 -179.761 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 25.3 pttm -60.0 -39.46 85.82 Favored 'General case' 0 N--CA 1.494 1.762 0 O-C-N 121.434 -0.791 . . . . 0.0 110.643 -178.759 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 71.4 p -60.0 -43.75 94.98 Favored 'General case' 0 C--N 1.303 -1.44 0 O-C-N 121.093 -1.004 . . . . 0.0 109.658 -178.976 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 75.8 mt-10 -66.69 -40.84 88.68 Favored 'General case' 0 N--CA 1.488 1.457 0 O-C-N 121.182 -0.949 . . . . 0.0 109.122 179.864 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 64.9 tp -64.07 -45.19 89.86 Favored 'General case' 0 N--CA 1.488 1.427 0 O-C-N 121.444 -0.785 . . . . 0.0 109.537 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 12.5 ttmm -60.02 -48.49 81.47 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.314 -0.866 . . . . 0.0 109.718 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 81.5 tt0 -62.25 -39.98 94.65 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.462 -0.774 . . . . 0.0 110.24 -179.534 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.468 ' O ' HD23 ' A' ' 35' ' ' LEU . 1.4 tt -54.1 -42.02 68.94 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.181 -0.95 . . . . 0.0 109.123 -178.574 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.476 ' O ' ' O ' ' A' ' 39' ' ' GLU . 44.1 mm -63.52 -40.87 90.66 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.59 0 O-C-N 120.976 -1.078 . . . . 0.0 109.581 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 41.1 t30 -61.0 -41.15 95.96 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 120.791 -1.193 . . . . 0.0 110.735 -179.588 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 33.0 m120 -78.91 -55.14 5.37 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.054 -1.029 . . . . 0.0 110.355 -179.096 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 39' ' ' GLU . . . . . 0.476 ' O ' ' O ' ' A' ' 36' ' ' ILE . 19.6 mp0 -109.86 171.51 7.41 Favored 'General case' 0 N--CA 1.503 2.212 0 O-C-N 121.367 -0.833 . . . . 0.0 109.055 179.405 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 43.7 mt 54.13 7.91 0.15 Allowed 'General case' 0 N--CA 1.488 1.455 0 O-C-N 121.599 -0.688 . . . . 0.0 110.027 179.491 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 41' ' ' SER . . . . . 0.43 ' O ' ' O ' ' A' ' 44' ' ' LEU . 78.8 p -64.19 -39.99 95.16 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 120.936 -1.102 . . . . 0.0 109.534 179.762 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 76.6 m80 -69.98 -39.95 75.65 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.06 -1.025 . . . . 0.0 109.148 179.339 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 43' ' ' PHE . . . . . 0.487 ' C ' HD12 ' A' ' 44' ' ' LEU . 80.9 m-85 -69.08 -39.12 79.26 Favored 'General case' 0 C--N 1.302 -1.467 0 N-CA-C 108.819 -0.808 . . . . 0.0 108.819 -179.758 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.487 HD12 ' C ' ' A' ' 43' ' ' PHE . 10.3 mp -115.68 118.77 34.0 Favored 'General case' 0 N--CA 1.501 2.081 0 N-CA-C 108.514 -0.921 . . . . 0.0 108.514 179.363 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 20.8 pt-20 -133.95 30.44 3.68 Favored 'General case' 0 N--CA 1.501 2.08 0 O-C-N 121.144 -0.973 . . . . 0.0 110.48 -179.632 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 62.0 tt0 -137.0 44.0 2.34 Favored 'General case' 0 N--CA 1.499 1.978 0 O-C-N 121.163 -0.961 . . . . 0.0 109.165 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 7.2 mm -109.68 124.72 66.63 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.034 0 O-C-N 121.526 -0.734 . . . . 0.0 109.434 -179.888 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 30.4 ttmt -156.24 -35.56 0.08 Allowed 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.273 -0.892 . . . . 0.0 109.412 179.385 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 77.6 mt-10 -99.78 140.0 34.62 Favored 'General case' 0 N--CA 1.496 1.847 0 O-C-N 121.216 -0.927 . . . . 0.0 109.337 -179.804 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 50' ' ' GLN . . . . . 0.778 ' H ' ' NE2' ' A' ' 50' ' ' GLN . 0.0 OUTLIER -69.73 -21.19 63.49 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.222 -0.924 . . . . 0.0 109.791 -179.748 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 57.4 mm-40 -59.89 -40.14 87.74 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.304 -0.872 . . . . 0.0 109.145 -179.829 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 78.4 t -64.37 -47.44 89.52 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.412 0 O-C-N 121.202 -0.936 . . . . 0.0 108.727 179.19 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 62.1 t -64.46 -47.42 89.4 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.494 0 O-C-N 121.485 -0.759 . . . . 0.0 109.052 179.816 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 7.1 t70 -59.98 -46.88 87.99 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.394 -0.816 . . . . 0.0 110.021 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 86.2 tttt -60.02 -45.67 92.02 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.195 -0.94 . . . . 0.0 109.334 -179.624 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 54.4 t -60.82 -43.9 96.45 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.458 0 O-C-N 121.31 -0.869 . . . . 0.0 109.288 179.302 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 50.5 ttm -60.03 -46.3 89.98 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.309 -0.869 . . . . 0.0 109.447 179.808 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 86.9 tt0 -60.32 -41.57 93.78 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.294 -0.879 . . . . 0.0 109.446 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 99.4 m -68.16 -40.54 82.3 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.346 -0.846 . . . . 0.0 109.562 179.524 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 6.4 tp -75.71 -30.93 59.45 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.349 -0.845 . . . . 0.0 110.125 -179.624 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 97.6 m-20 -58.54 125.51 23.66 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.029 -1.044 . . . . 0.0 109.524 -178.919 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 78.5 mm-40 -96.57 -34.37 11.46 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.353 -0.842 . . . . 0.0 108.757 179.486 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 34.4 p-10 -104.0 -6.41 21.24 Favored 'General case' 0 N--CA 1.497 1.887 0 O-C-N 121.475 -0.765 . . . . 0.0 110.389 -179.668 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 70.1 37.75 72.92 Favored Glycine 0 N--CA 1.493 2.472 0 C-N-CA 119.757 -1.211 . . . . 0.0 110.604 179.417 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 45.2 p-10 -80.22 -12.46 59.63 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 120.837 -1.39 . . . . 0.0 109.464 179.93 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 75.69 9.56 84.85 Favored Glycine 0 N--CA 1.493 2.497 0 C-N-CA 120.212 -0.995 . . . . 0.0 110.865 178.858 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 49.9 mt-10 -143.69 160.31 40.93 Favored 'General case' 0 N--CA 1.497 1.914 0 O-C-N 120.931 -1.335 . . . . 0.0 109.75 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 14.6 t -89.05 106.5 18.47 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.356 -0.84 . . . . 0.0 108.996 179.701 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 94.8 m-20 -90.89 -176.89 4.8 Favored 'General case' 0 N--CA 1.491 1.607 0 N-CA-C 109.323 -0.621 . . . . 0.0 109.323 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 2.8 t80 -60.0 -41.03 91.21 Favored 'General case' 0 C--N 1.302 -1.487 0 O-C-N 121.212 -0.93 . . . . 0.0 109.245 -179.098 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -69.94 -40.09 75.7 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.104 -0.998 . . . . 0.0 109.96 179.455 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 54.9 mm-40 -59.98 -41.41 91.92 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.088 -1.007 . . . . 0.0 109.403 -179.894 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 62.9 t80 -60.29 -44.54 95.28 Favored 'General case' 0 C--N 1.304 -1.399 0 O-C-N 121.201 -0.937 . . . . 0.0 108.753 179.58 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 74' ' ' MET . . . . . 0.476 ' SD ' HG21 ' B' ' 81' ' ' THR . 11.4 tpt -63.07 -40.08 96.62 Favored 'General case' 0 N--CA 1.488 1.455 0 O-C-N 121.588 -0.695 . . . . 0.0 109.271 179.848 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -61.28 -40.8 95.45 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.37 -0.831 . . . . 0.0 109.949 -179.688 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 62.5 t80 -59.95 -45.99 90.87 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.221 -0.924 . . . . 0.0 109.872 -179.348 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 69.8 t -63.1 -40.02 87.44 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.657 0 O-C-N 121.166 -0.959 . . . . 0.0 109.493 179.929 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 47.0 t -59.95 -40.04 87.6 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.292 -0.88 . . . . 0.0 110.515 -179.173 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 98.4 mmm -59.98 -44.11 94.69 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 120.973 -1.079 . . . . 0.0 109.369 -179.164 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 54.5 t -70.01 -43.51 79.2 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.552 0 O-C-N 121.218 -0.926 . . . . 0.0 109.39 179.488 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 81' ' ' THR . . . . . 0.447 HG21 ' SD ' ' B' ' 74' ' ' MET . 94.6 m -60.87 -42.12 97.27 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.535 -0.728 . . . . 0.0 111.234 -179.039 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 64.5 p -69.98 -28.55 65.62 Favored 'General case' 0 C--N 1.299 -1.612 0 O-C-N 120.822 -1.174 . . . . 0.0 109.79 -179.245 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -73.23 -19.55 61.06 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.308 -0.87 . . . . 0.0 110.927 -179.437 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 84' ' ' CYS . . . . . 0.55 ' SG ' ' O ' ' A' ' 84' ' ' CYS . 19.0 p -65.93 105.4 1.31 Allowed 'General case' 0 N--CA 1.493 1.696 0 O-C-N 120.734 -1.229 . . . . 0.0 110.38 -178.971 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 64.3 m-70 -103.54 57.18 0.74 Allowed 'General case' 0 N--CA 1.497 1.876 0 O-C-N 121.253 -0.905 . . . . 0.0 108.634 179.326 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 77.3 mm-40 58.6 19.95 7.18 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.723 -0.611 . . . . 0.0 109.443 -179.638 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 1.4 m-85 -87.32 -10.82 51.25 Favored 'General case' 0 N--CA 1.496 1.841 0 N-CA-C 108.674 -0.862 . . . . 0.0 108.674 179.336 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 28.7 m-85 -81.03 -9.58 59.82 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.435 -0.79 . . . . 0.0 109.149 179.822 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -60.11 -173.54 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.301 -0.875 . . . . 0.0 109.175 179.402 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 49.4 m80 -59.31 139.04 57.39 Favored 'General case' 0 N--CA 1.488 1.439 0 O-C-N 121.081 -1.012 . . . . 0.0 108.904 -179.696 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.492 1.672 0 CA-C-O 118.009 -0.996 . . . . 0.0 109.533 -179.482 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 0' ' ' MET . . . . . . . . . . . . . 10.5 ptp . . . . . 0 N--CA 1.491 1.58 0 N-CA-C 109.349 -0.612 . . . . 0.0 109.349 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 20.1 t -163.15 -162.86 0.79 Allowed 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.218 -0.926 . . . . 0.0 109.883 -179.817 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 39.7 tt0 -60.03 -39.89 87.45 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.374 -0.828 . . . . 0.0 109.761 -179.781 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 56.6 mt -59.99 -36.98 78.35 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.274 -0.891 . . . . 0.0 109.58 -179.322 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 83.5 tt0 -59.93 -43.94 94.63 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 120.969 -1.082 . . . . 0.0 109.099 -179.564 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 61.1 mttp -68.25 -40.04 82.08 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.026 -1.046 . . . . 0.0 109.204 179.622 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -61.84 -47.7 83.86 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.306 -0.871 . . . . 0.0 109.238 179.766 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 7' ' ' MET . . . . . . . . . . . . . 45.1 tpp -60.09 -45.7 92.06 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.234 -0.916 . . . . 0.0 108.945 179.691 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 60.5 t -69.0 -40.99 81.56 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.484 0 O-C-N 121.541 -0.725 . . . . 0.0 109.593 -179.703 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -63.29 -44.48 94.91 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.273 -0.892 . . . . 0.0 110.165 -179.595 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 56.9 tp -60.02 -49.5 77.41 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.241 -0.912 . . . . 0.0 110.036 -179.504 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 97.4 mt -66.07 -39.91 85.77 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.539 0 O-C-N 121.218 -0.926 . . . . 0.0 110.118 -179.331 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 97.4 m-20 -60.29 -40.15 89.42 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.204 -0.935 . . . . 0.0 110.781 -179.252 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 53.1 t -68.71 -41.99 82.85 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.57 0 O-C-N 120.759 -1.213 . . . . 0.0 109.39 -179.484 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 14' ' ' PHE . . . . . . . . . . . . . 79.9 t80 -60.02 -49.98 75.53 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.198 -0.939 . . . . 0.0 110.675 -179.79 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 20.0 t60 -64.87 -45.95 83.88 Favored 'General case' 0 N--CA 1.494 1.739 0 O-C-N 121.032 -1.042 . . . . 0.0 110.552 -179.127 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 11.5 tm0? -60.08 -41.25 92.04 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.218 -0.926 . . . . 0.0 110.179 -179.092 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 1.1 t80 -70.19 -39.98 74.9 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.206 -0.934 . . . . 0.0 109.373 -179.737 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 41.4 t -60.33 -40.01 89.1 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.197 -0.939 . . . . 0.0 109.589 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -76.57 -9.94 85.96 Favored Glycine 0 N--CA 1.49 2.243 0 N-CA-C 110.141 -1.184 . . . . 0.0 110.141 -179.185 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -60.15 -43.14 95.99 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.091 -1.241 . . . . 0.0 108.685 179.905 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 21' ' ' GLU . . . . . 0.456 ' OE1' ' N ' ' B' ' 22' ' ' GLY . 1.6 tm-20 -97.48 164.75 12.31 Favored 'General case' 0 N--CA 1.499 2.0 0 O-C-N 121.09 -1.007 . . . . 0.0 108.895 179.18 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 22' ' ' GLY . . . . . 0.456 ' N ' ' OE1' ' B' ' 21' ' ' GLU . . . -57.01 -24.16 49.37 Favored Glycine 0 N--CA 1.492 2.383 0 N-CA-C 110.417 -1.073 . . . . 0.0 110.417 -179.745 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 96.1 m-20 -80.13 86.18 5.6 Favored 'General case' 0 N--CA 1.497 1.885 0 O-C-N 120.881 -1.364 . . . . 0.0 110.181 -179.2 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 32.2 mtmm -70.63 -39.91 73.44 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.609 -0.682 . . . . 0.0 111.07 179.92 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 25' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -68.54 -34.28 75.57 Favored 'General case' 0 N--CA 1.496 1.873 0 O-C-N 121.279 -0.888 . . . . 0.0 112.194 -177.197 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 16.2 ptpt -149.39 169.91 19.77 Favored 'General case' 0 N--CA 1.5 2.055 0 O-C-N 120.42 -1.425 . . . . 0.0 111.579 -177.582 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 4.7 mp -110.86 139.86 45.82 Favored 'General case' 0 N--CA 1.495 1.781 0 N-CA-C 109.095 -0.706 . . . . 0.0 109.095 179.93 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 11.7 pttp -101.56 -177.87 3.56 Favored 'General case' 0 N--CA 1.502 2.125 0 O-C-N 121.283 -0.885 . . . . 0.0 110.246 -179.777 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 25.6 pttm -59.91 -39.34 85.11 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.382 -0.824 . . . . 0.0 110.618 -178.855 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 82.7 p -59.98 -43.87 94.86 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.012 -1.055 . . . . 0.0 109.656 -179.05 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 77.1 mt-10 -66.72 -40.64 88.48 Favored 'General case' 0 N--CA 1.488 1.451 0 O-C-N 121.155 -0.966 . . . . 0.0 109.161 179.869 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 59.8 tp -64.24 -45.49 87.94 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 121.555 -0.716 . . . . 0.0 109.281 -179.801 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 12.9 ttmm -60.02 -48.36 82.04 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.218 -0.926 . . . . 0.0 109.774 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 82.3 tt0 -62.31 -40.03 94.99 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.378 -0.826 . . . . 0.0 110.206 -179.581 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 35' ' ' LEU . . . . . 0.436 ' O ' HD23 ' B' ' 35' ' ' LEU . 1.4 tt -54.05 -41.85 68.59 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.249 -0.907 . . . . 0.0 109.307 -178.68 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 36' ' ' ILE . . . . . 0.477 ' O ' ' O ' ' B' ' 39' ' ' GLU . 37.3 mm -63.92 -40.49 89.25 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.658 0 O-C-N 120.897 -1.127 . . . . 0.0 109.56 179.934 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 41.5 t30 -61.07 -41.02 95.85 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 120.895 -1.128 . . . . 0.0 110.629 -179.572 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 32.7 m120 -79.08 -55.1 5.37 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.039 -1.038 . . . . 0.0 110.278 -179.033 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 39' ' ' GLU . . . . . 0.477 ' O ' ' O ' ' B' ' 36' ' ' ILE . 19.3 mp0 -109.81 171.44 7.44 Favored 'General case' 0 N--CA 1.504 2.244 0 O-C-N 121.382 -0.824 . . . . 0.0 109.061 179.451 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 45.2 mt 54.05 7.88 0.14 Allowed 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.622 -0.674 . . . . 0.0 110.049 179.556 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 41' ' ' SER . . . . . 0.433 ' O ' ' O ' ' B' ' 44' ' ' LEU . 80.9 p -64.02 -40.04 95.45 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 120.956 -1.09 . . . . 0.0 109.472 179.91 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 42' ' ' HIS . . . . . . . . . . . . . 76.8 m80 -69.96 -39.89 75.74 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.115 -0.991 . . . . 0.0 109.296 179.287 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 43' ' ' PHE . . . . . 0.49 ' C ' HD12 ' B' ' 44' ' ' LEU . 79.7 m-85 -69.12 -39.25 79.03 Favored 'General case' 0 C--N 1.302 -1.499 0 N-CA-C 108.718 -0.845 . . . . 0.0 108.718 -179.726 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 44' ' ' LEU . . . . . 0.49 HD12 ' C ' ' B' ' 43' ' ' PHE . 10.4 mp -115.48 118.65 33.76 Favored 'General case' 0 N--CA 1.502 2.143 0 N-CA-C 108.504 -0.924 . . . . 0.0 108.504 179.395 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 20.8 pt-20 -133.87 30.39 3.71 Favored 'General case' 0 N--CA 1.501 2.115 0 O-C-N 121.21 -0.931 . . . . 0.0 110.435 -179.628 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 61.3 tt0 -137.06 43.77 2.35 Favored 'General case' 0 N--CA 1.498 1.94 0 O-C-N 121.142 -0.974 . . . . 0.0 109.313 -179.937 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 7.2 mm -109.68 124.56 66.5 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.032 0 O-C-N 121.474 -0.766 . . . . 0.0 109.467 -179.903 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 31.5 ttmt -155.78 -35.46 0.09 Allowed 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.252 -0.905 . . . . 0.0 109.55 179.386 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 80.2 mt-10 -99.84 139.94 34.77 Favored 'General case' 0 N--CA 1.496 1.835 0 O-C-N 121.297 -0.877 . . . . 0.0 109.252 -179.753 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 50' ' ' GLN . . . . . 0.765 ' NE2' ' H ' ' B' ' 50' ' ' GLN . 0.0 OUTLIER -69.72 -21.07 63.51 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.289 -0.882 . . . . 0.0 109.825 -179.708 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 56.7 mm-40 -60.0 -39.98 87.63 Favored 'General case' 0 N--CA 1.488 1.438 0 O-C-N 121.189 -0.944 . . . . 0.0 109.186 -179.884 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 73.2 t -64.55 -47.43 89.14 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.467 0 C-N-CA 119.477 -0.889 . . . . 0.0 108.73 179.189 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 53.3 t -64.43 -47.37 89.69 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.494 0 O-C-N 121.456 -0.777 . . . . 0.0 109.081 179.717 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 7.0 t70 -60.05 -46.63 88.9 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.326 -0.859 . . . . 0.0 110.094 179.893 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 86.2 tttt -60.06 -46.04 90.88 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.047 -1.033 . . . . 0.0 109.223 -179.607 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 55.0 t -60.64 -43.97 95.94 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.47 0 O-C-N 121.363 -0.835 . . . . 0.0 109.269 179.324 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 57' ' ' MET . . . . . . . . . . . . . 53.4 ttm -59.87 -46.24 89.93 Favored 'General case' 0 N--CA 1.488 1.463 0 O-C-N 121.299 -0.875 . . . . 0.0 109.451 179.827 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 86.7 tt0 -60.38 -41.6 94.1 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.155 -0.966 . . . . 0.0 109.406 179.924 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 99.1 m -68.25 -40.24 82.01 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.292 -0.88 . . . . 0.0 109.627 179.63 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 6.1 tp -75.77 -31.09 59.35 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.363 -0.835 . . . . 0.0 110.132 -179.748 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 97.6 m-20 -58.39 125.45 23.37 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.099 -1.001 . . . . 0.0 109.545 -178.91 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 78.6 mm-40 -96.45 -34.4 11.52 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.31 -0.869 . . . . 0.0 108.857 179.408 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 63' ' ' ASP . . . . . 0.406 ' OD1' ' N ' ' B' ' 63' ' ' ASP . 34.5 p-10 -103.94 -6.4 21.32 Favored 'General case' 0 N--CA 1.496 1.854 0 O-C-N 121.551 -0.718 . . . . 0.0 110.37 -179.735 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 69.97 37.9 74.31 Favored Glycine 0 N--CA 1.494 2.51 0 C-N-CA 119.812 -1.185 . . . . 0.0 110.536 179.46 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 44.8 p-10 -80.21 -12.55 59.63 Favored 'General case' 0 N--CA 1.494 1.748 0 O-C-N 120.824 -1.398 . . . . 0.0 109.538 179.816 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 75.83 9.32 85.07 Favored Glycine 0 N--CA 1.492 2.4 0 C-N-CA 120.288 -0.958 . . . . 0.0 110.943 178.891 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 50.0 mt-10 -143.59 160.61 40.34 Favored 'General case' 0 N--CA 1.499 1.984 0 O-C-N 120.924 -1.339 . . . . 0.0 109.818 179.902 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 68' ' ' CYS . . . . . . . . . . . . . 11.5 t -88.91 106.45 18.41 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.299 -0.876 . . . . 0.0 109.033 179.705 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 95.0 m-20 -91.09 -176.81 4.72 Favored 'General case' 0 N--CA 1.493 1.688 0 N-CA-C 109.204 -0.665 . . . . 0.0 109.204 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 2.7 t80 -59.98 -41.25 91.62 Favored 'General case' 0 N--CA 1.488 1.456 0 O-C-N 121.199 -0.938 . . . . 0.0 109.258 -179.033 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 18.0 mm-40 -69.77 -40.03 76.32 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.198 -0.939 . . . . 0.0 110.013 179.521 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 54.5 mm-40 -59.99 -41.53 92.27 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.033 -1.042 . . . . 0.0 109.452 -179.933 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 73' ' ' PHE . . . . . . . . . . . . . 62.8 t80 -60.25 -44.44 95.26 Favored 'General case' 0 N--CA 1.488 1.43 0 O-C-N 121.199 -0.938 . . . . 0.0 108.729 179.46 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 74' ' ' MET . . . . . 0.447 ' SD ' HG21 ' A' ' 81' ' ' THR . 12.6 tpt -63.04 -40.08 96.64 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.569 -0.707 . . . . 0.0 109.275 179.861 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -61.37 -40.84 95.79 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.34 -0.85 . . . . 0.0 110.045 -179.714 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 64.8 t80 -60.06 -45.85 91.52 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.238 -0.914 . . . . 0.0 109.777 -179.299 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 77' ' ' VAL . . . . . . . . . . . . . 71.0 t -63.15 -39.96 87.23 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.667 0 O-C-N 121.111 -0.993 . . . . 0.0 109.571 179.858 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 78' ' ' SER . . . . . . . . . . . . . 44.1 t -59.96 -40.07 87.79 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.337 -0.852 . . . . 0.0 110.384 -179.234 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 79' ' ' MET . . . . . . . . . . . . . 98.7 mmm -59.95 -44.18 94.55 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 120.895 -1.128 . . . . 0.0 109.38 -179.089 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 54.4 t -69.96 -43.48 79.37 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.576 0 O-C-N 121.145 -0.972 . . . . 0.0 109.552 179.272 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 81' ' ' THR . . . . . 0.476 HG21 ' SD ' ' A' ' 74' ' ' MET . 94.5 m -60.89 -42.0 97.13 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.532 -0.73 . . . . 0.0 111.233 -178.931 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 49.1 p -69.99 -28.6 65.66 Favored 'General case' 0 C--N 1.3 -1.57 0 O-C-N 120.757 -1.214 . . . . 0.0 109.887 -179.393 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -72.81 -20.04 61.22 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.36 -0.837 . . . . 0.0 110.866 -179.423 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 84' ' ' CYS . . . . . 0.542 ' SG ' ' O ' ' B' ' 84' ' ' CYS . 19.2 p -65.77 105.55 1.3 Allowed 'General case' 0 N--CA 1.494 1.756 0 O-C-N 120.754 -1.216 . . . . 0.0 110.388 -178.804 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 85' ' ' HIS . . . . . . . . . . . . . 64.3 m-70 -103.79 57.26 0.73 Allowed 'General case' 0 N--CA 1.497 1.892 0 O-C-N 121.219 -0.926 . . . . 0.0 108.56 179.305 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 77.9 mm-40 58.54 19.98 7.14 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.675 -0.641 . . . . 0.0 109.377 -179.625 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 87' ' ' PHE . . . . . . . . . . . . . 1.4 m-85 -87.38 -10.89 50.88 Favored 'General case' 0 N--CA 1.494 1.752 0 O-C-N 121.207 -0.933 . . . . 0.0 108.661 179.437 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 29.0 m-85 -81.07 -9.7 59.79 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.326 -0.859 . . . . 0.0 109.216 179.815 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -59.74 -173.31 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.314 -0.866 . . . . 0.0 109.169 179.349 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 90' ' ' HIS . . . . . . . . . . . . . 43.9 m80 -59.98 140.0 57.05 Favored 'General case' 0 N--CA 1.487 1.419 0 O-C-N 120.97 -1.081 . . . . 0.0 109.146 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.491 1.597 0 CA-C-O 117.906 -1.045 . . . . 0.0 109.473 -179.308 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 92' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 93' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' B' B ' 92' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' B' B ' 93' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 0' ' ' MET . . . . . 0.467 ' SD ' ' N ' ' A' ' 0' ' ' MET . 4.6 mpp? . . . . . 0 N--CA 1.488 1.452 0 N-CA-C 109.337 -0.616 . . . . 0.0 109.337 . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 18.9 p -113.98 128.86 56.57 Favored 'General case' 0 N--CA 1.499 2.003 0 O-C-N 121.485 -0.759 . . . . 0.0 109.652 -179.853 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 75.9 mm-40 -63.21 -39.9 95.95 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.552 -0.717 . . . . 0.0 109.644 179.839 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -59.88 -39.92 86.93 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.342 -0.849 . . . . 0.0 109.632 -178.789 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 51.1 tp10 -60.06 -45.15 93.83 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 120.759 -1.213 . . . . 0.0 109.092 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 9.5 mtmp? -67.26 -34.16 76.86 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.149 -0.969 . . . . 0.0 109.071 179.2 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -59.91 -40.12 87.74 Favored 'General case' 0 N--CA 1.487 1.424 0 O-C-N 121.345 -0.847 . . . . 0.0 109.497 -179.413 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 4.0 tpt -60.0 -47.48 85.65 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.04 -1.037 . . . . 0.0 108.728 179.522 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 53.0 t -69.77 -40.1 78.7 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.587 0 O-C-N 121.38 -0.825 . . . . 0.0 108.946 179.679 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.95 -40.06 91.88 Favored 'General case' 0 N--CA 1.488 1.454 0 O-C-N 121.601 -0.687 . . . . 0.0 110.214 -179.763 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 22.1 tp -59.97 -49.95 75.65 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.054 -1.029 . . . . 0.0 110.01 -178.305 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 97.8 mt -70.1 -46.13 73.72 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.808 0 O-C-N 120.855 -1.153 . . . . 0.0 110.632 -179.517 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 59.9 t0 -60.73 -48.36 82.13 Favored 'General case' 0 N--CA 1.494 1.755 0 O-C-N 120.941 -1.1 . . . . 0.0 110.063 -179.156 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 54.7 t -60.48 -39.0 79.83 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.632 0 O-C-N 121.441 -0.787 . . . . 0.0 109.998 -179.889 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 26.3 t80 -59.84 -49.96 75.67 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.156 -0.965 . . . . 0.0 110.463 -178.549 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 50.0 m-70 -74.94 -41.84 58.85 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 120.68 -1.263 . . . . 0.0 111.01 -179.54 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 61.2 tt0 -59.99 -50.67 72.82 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 120.896 -1.127 . . . . 0.0 110.739 -178.633 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 9.9 m-85 -71.12 -42.6 69.03 Favored 'General case' 0 N--CA 1.495 1.794 0 O-C-N 120.995 -1.066 . . . . 0.0 109.794 -179.842 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 19.8 t -69.98 -39.99 75.61 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.393 -0.817 . . . . 0.0 110.616 -179.321 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -70.82 -9.38 65.79 Favored Glycine 0 N--CA 1.491 2.348 0 C-N-CA 120.239 -0.981 . . . . 0.0 111.1 -178.683 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 14.5 ttp180 -60.21 -39.96 88.42 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 120.552 -1.558 . . . . 0.0 109.592 -179.642 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 99.4 mt-10 -132.83 82.96 2.03 Favored 'General case' 0 N--CA 1.499 1.983 0 O-C-N 121.336 -0.852 . . . . 0.0 109.933 -179.587 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 44.68 -163.21 0.07 OUTLIER Glycine 0 N--CA 1.493 2.491 0 N-CA-C 109.995 -1.242 . . . . 0.0 109.995 179.346 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 74.0 m-20 50.08 39.87 20.22 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.285 -1.127 . . . . 0.0 108.714 179.934 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 14.8 ptmt -62.07 -33.78 75.05 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.536 -0.728 . . . . 0.0 111.199 -178.936 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' HIS . . . . . 0.465 ' CG ' ' O ' ' A' ' 25' ' ' HIS . 44.0 t-80 -99.27 4.83 46.69 Favored 'General case' 0 N--CA 1.499 2.005 0 O-C-N 121.002 -1.062 . . . . 0.0 110.708 -179.067 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 87.1 mttt -141.38 157.39 45.25 Favored 'General case' 0 N--CA 1.502 2.169 0 O-C-N 121.016 -1.052 . . . . 0.0 110.713 -179.028 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 85.0 mt -115.9 115.45 26.23 Favored 'General case' 0 N--CA 1.501 2.115 0 N-CA-C 108.606 -0.887 . . . . 0.0 108.606 178.818 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.413 ' HG2' ' H ' ' A' ' 29' ' ' LYS . 54.9 tttp -95.28 169.25 10.22 Favored 'General case' 0 N--CA 1.496 1.859 0 O-C-N 121.127 -0.983 . . . . 0.0 108.947 179.952 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.413 ' H ' ' HG2' ' A' ' 28' ' ' LYS . 7.8 ptpp? -56.47 -38.98 72.44 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 120.905 -1.122 . . . . 0.0 110.126 -179.05 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 35.1 t -60.73 -46.02 92.04 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 120.842 -1.161 . . . . 0.0 109.933 -179.814 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 8.6 mm-40 -69.64 -39.97 76.8 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.316 -0.865 . . . . 0.0 110.018 -179.443 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 8.5 tt -62.0 -40.09 94.44 Favored 'General case' 0 N--CA 1.494 1.751 0 O-C-N 121.153 -0.967 . . . . 0.0 109.712 -179.686 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 61.9 tttm -59.92 -39.94 87.19 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.354 -0.841 . . . . 0.0 110.323 -179.238 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 3.4 tm-20 -59.95 -40.0 87.53 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 120.933 -1.104 . . . . 0.0 109.372 -178.691 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 87.7 mt -60.26 -38.15 82.64 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.305 -0.872 . . . . 0.0 110.111 179.762 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.444 ' O ' ' O ' ' A' ' 39' ' ' GLU . 47.2 mm -60.01 -50.05 81.63 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.797 0 O-C-N 121.36 -0.838 . . . . 0.0 111.153 -177.925 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 37' ' ' ASN . . . . . 0.438 ' O ' ' OG ' ' A' ' 41' ' ' SER . 61.5 m-20 -61.71 -40.04 93.63 Favored 'General case' 0 N--CA 1.494 1.772 0 O-C-N 120.508 -1.37 . . . . 0.0 110.023 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 28.6 t-20 -79.88 -41.95 25.17 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.009 -1.057 . . . . 0.0 110.344 179.912 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 39' ' ' GLU . . . . . 0.444 ' O ' ' O ' ' A' ' 36' ' ' ILE . 87.9 tt0 -122.04 157.09 32.15 Favored 'General case' 0 N--CA 1.502 2.129 0 O-C-N 121.451 -0.78 . . . . 0.0 110.438 -178.653 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 9.1 mt 58.57 20.25 7.44 Favored 'General case' 0 N--CA 1.494 1.74 0 O-C-N 121.713 -0.617 . . . . 0.0 110.278 179.068 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 41' ' ' SER . . . . . 0.438 ' OG ' ' O ' ' A' ' 37' ' ' ASN . 55.1 m -70.39 -41.26 73.25 Favored 'General case' 0 C--N 1.3 -1.572 0 O-C-N 121.001 -1.062 . . . . 0.0 109.907 179.788 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 15.7 t60 -97.21 -43.27 7.43 Favored 'General case' 0 N--CA 1.497 1.903 0 O-C-N 121.264 -0.897 . . . . 0.0 110.889 -178.719 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -59.97 -42.48 94.24 Favored 'General case' 0 N--CA 1.495 1.78 0 O-C-N 120.966 -1.084 . . . . 0.0 110.174 -179.24 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 47.6 tp -95.2 150.67 19.97 Favored 'General case' 0 N--CA 1.498 1.926 0 O-C-N 120.994 -1.066 . . . . 0.0 108.996 -179.596 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 45' ' ' GLU . . . . . 0.447 ' OE1' ' O ' ' A' ' 46' ' ' GLU . 12.4 tm-20 -54.05 137.98 38.53 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.173 -0.954 . . . . 0.0 109.067 -179.414 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.447 ' O ' ' OE1' ' A' ' 45' ' ' GLU . 51.5 mt-10 -63.66 133.62 53.96 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.251 -0.905 . . . . 0.0 109.997 -179.207 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 87.2 mt -108.23 124.89 64.87 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.957 0 O-C-N 121.449 -0.782 . . . . 0.0 109.24 179.361 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 32.2 ttmt -107.2 -28.5 9.9 Favored 'General case' 0 N--CA 1.496 1.844 0 O-C-N 121.579 -0.701 . . . . 0.0 109.457 -179.897 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.482 ' CD ' ' H ' ' A' ' 49' ' ' GLU . 1.0 OUTLIER -102.12 135.74 43.17 Favored 'General case' 0 N--CA 1.496 1.858 0 O-C-N 121.38 -0.825 . . . . 0.0 109.909 -179.334 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 94.0 mt-30 -70.07 -19.39 63.28 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.612 -0.68 . . . . 0.0 109.544 179.736 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 88.9 tt0 -59.92 -39.48 85.61 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.456 -0.778 . . . . 0.0 109.666 -179.4 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 73.9 t -60.08 -40.12 82.38 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.489 0 O-C-N 121.128 -0.982 . . . . 0.0 109.052 -179.39 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 54.5 t -65.93 -42.3 91.63 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.544 0 O-C-N 121.14 -0.975 . . . . 0.0 109.351 179.571 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 79.2 m-20 -60.1 -44.1 95.09 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.233 -0.917 . . . . 0.0 110.365 -179.598 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -62.7 -40.65 97.79 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.104 -0.997 . . . . 0.0 109.884 -179.57 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 54.0 t -65.09 -40.01 87.48 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.547 0 O-C-N 121.205 -0.935 . . . . 0.0 109.654 -179.559 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 88.4 mmm -60.07 -41.33 92.18 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.089 -1.007 . . . . 0.0 109.877 -179.818 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 84.8 tt0 -61.0 -40.99 95.62 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.292 -0.88 . . . . 0.0 109.755 -179.52 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 94.1 m -69.02 -40.04 78.9 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.355 -0.84 . . . . 0.0 109.868 -179.769 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.403 HD13 ' HA ' ' A' ' 60' ' ' LEU . 2.8 mm? -73.76 -4.09 32.47 Favored 'General case' 0 N--CA 1.494 1.764 0 O-C-N 121.346 -0.846 . . . . 0.0 110.286 -179.243 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 61' ' ' ASP . . . . . 0.487 ' OD1' ' N ' ' A' ' 64' ' ' GLY . 60.4 t0 -72.48 68.28 0.79 Allowed 'General case' 0 N--CA 1.49 1.549 0 O-C-N 120.72 -1.237 . . . . 0.0 109.289 -179.801 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 53.1 tp10 -69.76 -39.81 76.48 Favored 'General case' 0 N--CA 1.494 1.74 0 O-C-N 121.432 -0.793 . . . . 0.0 110.427 -179.706 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 51.5 p-10 -87.76 -0.64 57.19 Favored 'General case' 0 N--CA 1.5 2.039 0 O-C-N 120.894 -1.129 . . . . 0.0 110.91 -178.683 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 64' ' ' GLY . . . . . 0.487 ' N ' ' OD1' ' A' ' 61' ' ' ASP . . . 70.9 22.79 78.38 Favored Glycine 0 N--CA 1.494 2.513 0 O-C-N 120.832 -1.167 . . . . 0.0 110.903 178.656 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 65' ' ' ASP . . . . . 0.417 ' OD2' ' O ' ' A' ' 67' ' ' GLU . 31.2 p-10 -84.43 -14.42 49.36 Favored 'General case' 0 N--CA 1.498 1.935 0 O-C-N 120.742 -1.446 . . . . 0.0 110.478 -179.556 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 89.84 -10.0 75.29 Favored Glycine 0 N--CA 1.498 2.813 0 O-C-N 120.719 -1.238 . . . . 0.0 110.659 179.099 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.417 ' O ' ' OD2' ' A' ' 65' ' ' ASP . 2.2 pm0 -144.46 167.16 23.14 Favored 'General case' 0 N--CA 1.498 1.947 0 O-C-N 120.917 -1.343 . . . . 0.0 109.14 179.346 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 2.2 p -88.73 117.16 27.51 Favored 'General case' 0 N--CA 1.496 1.841 0 O-C-N 120.976 -1.078 . . . . 0.0 110.106 -178.721 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 86.2 m-20 -91.42 -173.13 3.49 Favored 'General case' 0 N--CA 1.492 1.663 0 CA-C-O 121.69 0.757 . . . . 0.0 110.05 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 66.7 t80 -60.08 -49.91 75.79 Favored 'General case' 0 N--CA 1.486 1.362 0 CA-C-O 121.43 0.633 . . . . 0.0 109.418 179.863 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 12.1 tp-100 -60.13 -47.46 85.82 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.434 -0.791 . . . . 0.0 110.13 -179.906 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 94.6 mt-10 -69.26 -35.62 76.28 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 121.113 -0.992 . . . . 0.0 110.48 -178.995 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 87.4 t80 -59.98 -43.85 94.85 Favored 'General case' 0 C--N 1.299 -1.608 0 O-C-N 121.016 -1.052 . . . . 0.0 109.248 -179.51 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 11.1 tpt -61.33 -39.97 92.5 Favored 'General case' 0 C--N 1.301 -1.543 0 O-C-N 121.099 -1.001 . . . . 0.0 109.236 179.031 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -60.21 -37.25 79.7 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.648 -0.657 . . . . 0.0 110.379 -179.388 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 64.9 t80 -60.08 -40.65 90.26 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 120.974 -1.079 . . . . 0.0 109.893 -179.078 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 68.1 t -60.92 -39.99 83.88 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.535 0 O-C-N 121.098 -1.001 . . . . 0.0 108.849 179.797 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 78.2 p -61.91 -40.64 96.17 Favored 'General case' 0 N--CA 1.487 1.412 0 O-C-N 121.477 -0.764 . . . . 0.0 110.0 -179.541 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 61.7 mtt -60.45 -46.39 90.24 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.024 -1.048 . . . . 0.0 109.855 -179.882 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 87.9 t -69.6 -43.61 80.23 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.479 0 O-C-N 121.121 -0.987 . . . . 0.0 108.892 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 94.2 m -63.87 -40.04 95.62 Favored 'General case' 0 C--N 1.304 -1.38 0 O-C-N 121.397 -0.815 . . . . 0.0 108.876 179.686 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 94.6 m -63.34 -40.0 96.09 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.33 -0.856 . . . . 0.0 109.405 179.765 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -63.3 -39.85 95.71 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.249 -0.907 . . . . 0.0 109.693 -179.738 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 60.8 m -65.27 102.77 0.7 Allowed 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.144 -0.972 . . . . 0.0 109.24 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -99.71 -120.84 0.15 Allowed 'General case' 0 N--CA 1.498 1.958 0 O-C-N 121.212 -0.93 . . . . 0.0 109.762 -179.722 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 91.4 mt-10 -89.23 33.49 0.81 Allowed 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.156 -0.965 . . . . 0.0 109.079 179.792 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 31.0 t80 -59.94 -46.15 90.31 Favored 'General case' 0 C--N 1.3 -1.555 0 O-C-N 121.452 -0.78 . . . . 0.0 109.928 -178.806 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 88' ' ' PHE . . . . . 0.423 ' O ' ' O ' ' A' ' 89' ' ' GLU . 11.8 p90 -143.51 17.96 1.86 Allowed 'General case' 0 N--CA 1.5 2.048 0 O-C-N 121.029 -1.044 . . . . 0.0 109.595 179.752 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 89' ' ' GLU . . . . . 0.423 ' O ' ' O ' ' A' ' 88' ' ' PHE . 98.5 mt-10 -61.4 -145.69 0.0 OUTLIER 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.431 -0.793 . . . . 0.0 109.29 -179.933 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 1.2 t-80 58.49 39.93 24.47 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.165 -0.96 . . . . 0.0 109.148 -179.746 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 88.1 tt0 . . . . . 0 N--CA 1.488 1.457 0 CA-C-O 118.061 -0.971 . . . . 0.0 109.195 179.966 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' B' B ' 0' ' ' MET . . . . . 0.446 ' SD ' ' N ' ' B' ' 0' ' ' MET . 4.6 mpp? . . . . . 0 N--CA 1.491 1.578 0 N-CA-C 109.34 -0.615 . . . . 0.0 109.34 . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 16.9 p -114.08 129.06 56.63 Favored 'General case' 0 N--CA 1.5 2.039 0 O-C-N 121.496 -0.752 . . . . 0.0 109.609 -179.832 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 75.8 mm-40 -63.25 -39.85 95.77 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.426 -0.796 . . . . 0.0 109.647 179.892 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -59.92 -39.8 86.68 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.38 -0.825 . . . . 0.0 109.734 -178.934 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 51.4 tp10 -60.04 -45.8 91.62 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 120.804 -1.185 . . . . 0.0 109.045 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 9.2 mtmp? -66.7 -34.22 77.37 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.191 -0.943 . . . . 0.0 109.079 179.106 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -59.88 -40.29 88.22 Favored 'General case' 0 N--CA 1.488 1.447 0 O-C-N 121.349 -0.844 . . . . 0.0 109.56 -179.449 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 7' ' ' MET . . . . . . . . . . . . . 3.9 tpt -60.09 -47.54 85.46 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.073 -1.017 . . . . 0.0 108.629 179.627 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 53.7 t -69.59 -40.09 79.12 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.553 0 O-C-N 121.418 -0.801 . . . . 0.0 108.964 179.7 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.91 -39.94 91.22 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.438 -0.789 . . . . 0.0 110.276 -179.749 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 25.9 tp -59.88 -49.99 75.55 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.233 -0.917 . . . . 0.0 109.987 -178.279 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 96.7 mt -70.06 -46.88 71.28 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.877 0 O-C-N 120.869 -1.145 . . . . 0.0 110.69 -179.555 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 59.8 t0 -60.13 -48.35 82.11 Favored 'General case' 0 N--CA 1.496 1.836 0 O-C-N 121.017 -1.052 . . . . 0.0 109.991 -179.293 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 54.0 t -60.51 -39.59 81.71 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.73 0 O-C-N 121.463 -0.773 . . . . 0.0 109.865 -179.715 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 14' ' ' PHE . . . . . 0.4 ' CD1' ' C ' ' B' ' 14' ' ' PHE . 27.7 t80 -59.38 -49.99 75.69 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.192 -0.942 . . . . 0.0 110.497 -178.565 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 49.5 m-70 -74.9 -42.0 58.63 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 120.793 -1.192 . . . . 0.0 110.975 -179.543 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 61.2 tt0 -60.02 -50.51 73.45 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 120.788 -1.195 . . . . 0.0 110.74 -178.59 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 9.6 m-85 -71.13 -42.46 69.16 Favored 'General case' 0 N--CA 1.495 1.786 0 O-C-N 120.905 -1.122 . . . . 0.0 109.893 -179.808 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 20.6 t -70.04 -40.13 75.31 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.43 -0.794 . . . . 0.0 110.59 -179.369 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -70.62 -9.56 65.46 Favored Glycine 0 N--CA 1.49 2.258 0 C-N-CA 120.177 -1.011 . . . . 0.0 111.085 -178.74 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 14.3 ttp180 -60.06 -40.03 88.06 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 120.516 -1.579 . . . . 0.0 109.714 -179.46 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 99.2 mt-10 -133.04 83.42 2.06 Favored 'General case' 0 N--CA 1.499 1.979 0 O-C-N 121.387 -0.821 . . . . 0.0 109.683 -179.527 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . 44.26 -162.99 0.06 OUTLIER Glycine 0 N--CA 1.494 2.502 0 N-CA-C 110.214 -1.154 . . . . 0.0 110.214 179.498 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 73.6 m-20 50.08 39.96 20.46 Favored 'General case' 0 N--CA 1.493 1.718 0 O-C-N 121.339 -1.095 . . . . 0.0 108.674 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 15.3 ptmt -62.3 -33.52 74.83 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.627 -0.67 . . . . 0.0 111.129 -178.8 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 25' ' ' HIS . . . . . 0.463 ' CG ' ' O ' ' B' ' 25' ' ' HIS . 43.7 t-80 -99.44 4.48 46.17 Favored 'General case' 0 N--CA 1.499 1.981 0 O-C-N 121.031 -1.043 . . . . 0.0 110.646 -179.007 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 89.3 mttt -141.05 157.87 44.71 Favored 'General case' 0 N--CA 1.502 2.161 0 O-C-N 121.03 -1.044 . . . . 0.0 110.666 -179.128 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 85.2 mt -116.28 115.76 26.53 Favored 'General case' 0 N--CA 1.5 2.064 0 N-CA-C 108.672 -0.862 . . . . 0.0 108.672 178.838 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 28' ' ' LYS . . . . . 0.415 ' HG2' ' H ' ' B' ' 29' ' ' LYS . 54.0 tttp -95.69 169.25 10.15 Favored 'General case' 0 N--CA 1.497 1.896 0 O-C-N 121.133 -0.979 . . . . 0.0 108.806 -179.934 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 29' ' ' LYS . . . . . 0.415 ' H ' ' HG2' ' B' ' 28' ' ' LYS . 7.5 ptpp? -56.3 -39.0 72.01 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 120.931 -1.106 . . . . 0.0 110.081 -179.161 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 33.6 t -60.63 -46.47 90.16 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 120.809 -1.182 . . . . 0.0 109.956 -179.76 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 8.8 mm-40 -69.38 -40.0 77.67 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.256 -0.903 . . . . 0.0 110.086 -179.299 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 8.3 tt -62.1 -39.99 94.35 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.279 -0.888 . . . . 0.0 109.678 -179.561 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 62.5 tttm -60.05 -39.98 87.85 Favored 'General case' 0 N--CA 1.494 1.753 0 O-C-N 121.324 -0.86 . . . . 0.0 110.363 -179.139 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 3.4 tm-20 -59.97 -40.03 87.71 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 120.822 -1.173 . . . . 0.0 109.386 -178.822 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 85.1 mt -60.16 -38.2 82.44 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.33 -0.856 . . . . 0.0 110.03 179.64 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 36' ' ' ILE . . . . . 0.439 ' O ' ' O ' ' B' ' 39' ' ' GLU . 45.0 mm -59.97 -49.84 82.41 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.782 0 O-C-N 121.329 -0.857 . . . . 0.0 111.153 -178.06 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 37' ' ' ASN . . . . . 0.436 ' O ' ' OG ' ' B' ' 41' ' ' SER . 61.1 m-20 -61.88 -40.07 94.14 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 120.474 -1.391 . . . . 0.0 110.037 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 28.8 t-20 -79.87 -41.77 25.58 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.028 -1.045 . . . . 0.0 110.42 179.845 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 39' ' ' GLU . . . . . 0.439 ' O ' ' O ' ' B' ' 36' ' ' ILE . 87.5 tt0 -122.11 156.76 32.92 Favored 'General case' 0 N--CA 1.502 2.165 0 O-C-N 121.482 -0.761 . . . . 0.0 110.601 -178.641 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 9.5 mt 58.64 19.93 7.22 Favored 'General case' 0 N--CA 1.494 1.74 0 CA-C-O 121.228 0.537 . . . . 0.0 110.31 179.235 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 41' ' ' SER . . . . . 0.436 ' OG ' ' O ' ' B' ' 37' ' ' ASN . 51.6 m -70.0 -41.18 74.71 Favored 'General case' 0 C--N 1.3 -1.567 0 O-C-N 121.047 -1.033 . . . . 0.0 109.952 179.721 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 42' ' ' HIS . . . . . . . . . . . . . 16.0 t60 -97.24 -43.53 7.31 Favored 'General case' 0 N--CA 1.498 1.96 0 O-C-N 121.17 -0.956 . . . . 0.0 110.838 -178.845 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -59.98 -42.52 94.37 Favored 'General case' 0 N--CA 1.495 1.8 0 O-C-N 120.966 -1.084 . . . . 0.0 110.064 -179.123 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 44.7 tp -94.93 151.06 19.51 Favored 'General case' 0 N--CA 1.497 1.879 0 O-C-N 120.947 -1.096 . . . . 0.0 108.992 -179.767 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 45' ' ' GLU . . . . . 0.441 ' OE1' ' O ' ' B' ' 46' ' ' GLU . 12.1 tm-20 -54.46 137.97 41.32 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.067 -1.021 . . . . 0.0 109.056 -179.414 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 46' ' ' GLU . . . . . 0.441 ' O ' ' OE1' ' B' ' 45' ' ' GLU . 50.9 mt-10 -63.42 133.53 54.14 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.318 -0.864 . . . . 0.0 110.04 -179.084 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 88.6 mt -108.41 124.62 64.94 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.894 0 O-C-N 121.507 -0.746 . . . . 0.0 109.33 179.412 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 32.5 ttmt -107.03 -28.27 10.13 Favored 'General case' 0 N--CA 1.495 1.779 0 O-C-N 121.507 -0.746 . . . . 0.0 109.556 -179.809 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 49' ' ' GLU . . . . . 0.486 ' CD ' ' H ' ' B' ' 49' ' ' GLU . 1.0 OUTLIER -102.42 135.5 43.92 Favored 'General case' 0 N--CA 1.497 1.875 0 O-C-N 121.453 -0.779 . . . . 0.0 109.888 -179.217 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 94.3 mt-30 -69.99 -19.28 63.35 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.591 -0.693 . . . . 0.0 109.436 179.904 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 89.1 tt0 -59.78 -39.74 85.89 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.453 -0.779 . . . . 0.0 109.695 -179.351 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 70.8 t -60.05 -40.13 82.33 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.526 0 O-C-N 121.172 -0.955 . . . . 0.0 108.974 -179.42 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 54.7 t -65.9 -42.24 91.59 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.56 0 O-C-N 121.235 -0.915 . . . . 0.0 109.301 179.538 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 78.7 m-20 -60.31 -44.26 95.6 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.243 -0.91 . . . . 0.0 110.197 -179.486 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -62.58 -40.2 96.13 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.129 -0.982 . . . . 0.0 109.86 -179.48 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 53.6 t -65.28 -39.99 87.16 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.482 0 O-C-N 121.234 -0.916 . . . . 0.0 109.774 -179.596 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 57' ' ' MET . . . . . . . . . . . . . 88.7 mmm -60.22 -41.29 92.76 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.028 -1.045 . . . . 0.0 109.878 -179.696 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 82.1 tt0 -60.97 -41.09 95.74 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.112 -0.992 . . . . 0.0 109.637 -179.47 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 94.4 m -68.72 -40.07 80.13 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.38 -0.825 . . . . 0.0 109.737 -179.622 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 2.5 mm? -74.08 -4.05 33.2 Favored 'General case' 0 N--CA 1.495 1.814 0 O-C-N 121.287 -0.883 . . . . 0.0 110.378 -179.063 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 61' ' ' ASP . . . . . 0.493 ' OD1' ' N ' ' B' ' 64' ' ' GLY . 58.7 t0 -72.49 68.03 0.78 Allowed 'General case' 0 N--CA 1.492 1.672 0 O-C-N 120.734 -1.229 . . . . 0.0 109.236 179.833 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 52.7 tp10 -69.5 -39.58 77.5 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.318 -0.864 . . . . 0.0 110.365 -179.66 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 51.9 p-10 -87.77 -1.01 57.69 Favored 'General case' 0 N--CA 1.498 1.94 0 O-C-N 120.949 -1.095 . . . . 0.0 110.889 -178.786 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 64' ' ' GLY . . . . . 0.493 ' N ' ' OD1' ' B' ' 61' ' ' ASP . . . 71.39 22.4 78.59 Favored Glycine 0 N--CA 1.494 2.551 0 O-C-N 120.745 -1.222 . . . . 0.0 110.994 178.578 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 32.4 p-10 -84.1 -14.35 50.6 Favored 'General case' 0 N--CA 1.497 1.896 0 O-C-N 120.856 -1.379 . . . . 0.0 110.504 -179.423 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 90.06 -10.49 73.86 Favored Glycine 0 N--CA 1.498 2.81 0 O-C-N 120.771 -1.205 . . . . 0.0 110.721 178.942 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 2.3 pm0 -143.86 167.57 22.0 Favored 'General case' 0 N--CA 1.498 1.959 0 O-C-N 120.911 -1.346 . . . . 0.0 109.182 179.26 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 68' ' ' CYS . . . . . . . . . . . . . 2.0 p -88.98 117.21 27.84 Favored 'General case' 0 N--CA 1.498 1.936 0 O-C-N 120.969 -1.082 . . . . 0.0 110.113 -178.803 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 85.1 m-20 -91.22 -172.63 3.36 Favored 'General case' 0 N--CA 1.491 1.606 0 CA-C-O 121.698 0.761 . . . . 0.0 110.154 179.842 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 65.5 t80 -60.22 -49.99 75.45 Favored 'General case' 0 N--CA 1.488 1.468 0 CA-C-O 121.562 0.696 . . . . 0.0 109.462 179.643 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 12.1 tp-100 -60.38 -47.66 85.09 Favored 'General case' 0 N--CA 1.493 1.675 0 O-C-N 121.414 -0.804 . . . . 0.0 110.075 -179.827 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 94.4 mt-10 -68.54 -36.01 78.23 Favored 'General case' 0 N--CA 1.494 1.759 0 O-C-N 121.306 -0.871 . . . . 0.0 110.647 -179.312 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 73' ' ' PHE . . . . . . . . . . . . . 86.1 t80 -59.95 -43.87 94.73 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.044 -1.035 . . . . 0.0 109.346 -179.456 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 74' ' ' MET . . . . . . . . . . . . . 11.0 tpt -61.42 -40.0 92.82 Favored 'General case' 0 C--N 1.301 -1.504 0 O-C-N 121.13 -0.981 . . . . 0.0 109.072 179.076 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -60.18 -37.31 79.82 Favored 'General case' 0 N--CA 1.494 1.754 0 O-C-N 121.582 -0.699 . . . . 0.0 110.515 -179.481 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 65.6 t80 -60.13 -40.36 89.48 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.084 -1.01 . . . . 0.0 109.972 -179.101 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 77' ' ' VAL . . . . . . . . . . . . . 63.7 t -60.88 -40.12 84.24 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.513 0 O-C-N 121.114 -0.991 . . . . 0.0 108.794 179.698 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 78' ' ' SER . . . . . . . . . . . . . 67.4 p -61.95 -40.49 95.71 Favored 'General case' 0 N--CA 1.487 1.394 0 O-C-N 121.433 -0.792 . . . . 0.0 109.993 -179.445 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 79' ' ' MET . . . . . . . . . . . . . 61.6 mtt -60.53 -46.72 89.14 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 120.901 -1.124 . . . . 0.0 109.9 -179.883 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 95.9 t -69.4 -43.41 80.95 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.518 0 O-C-N 121.255 -0.903 . . . . 0.0 108.852 179.902 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 94.3 m -64.01 -39.96 95.28 Favored 'General case' 0 C--N 1.304 -1.389 0 O-C-N 121.427 -0.795 . . . . 0.0 109.043 179.602 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 94.3 m -63.36 -40.0 96.07 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.314 -0.866 . . . . 0.0 109.548 179.552 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -63.07 -39.9 96.1 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.258 -0.901 . . . . 0.0 109.643 -179.809 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 84' ' ' CYS . . . . . . . . . . . . . 60.0 m -65.74 102.97 0.81 Allowed 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.266 -0.896 . . . . 0.0 109.233 -179.794 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 85' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -100.0 -121.24 0.15 Allowed 'General case' 0 N--CA 1.497 1.922 0 O-C-N 121.269 -0.894 . . . . 0.0 109.742 -179.715 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 91.1 mt-10 -88.59 33.5 0.76 Allowed 'General case' 0 N--CA 1.495 1.804 0 O-C-N 121.302 -0.874 . . . . 0.0 109.021 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 87' ' ' PHE . . . . . . . . . . . . . 30.7 t80 -60.01 -46.23 90.15 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.408 -0.808 . . . . 0.0 109.865 -178.788 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 88' ' ' PHE . . . . . 0.431 ' O ' ' O ' ' B' ' 89' ' ' GLU . 11.2 p90 -143.36 17.53 1.88 Allowed 'General case' 0 N--CA 1.5 2.069 0 O-C-N 121.005 -1.06 . . . . 0.0 109.654 179.793 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 89' ' ' GLU . . . . . 0.431 ' O ' ' O ' ' B' ' 88' ' ' PHE . 98.5 mt-10 -60.96 -145.55 0.0 OUTLIER 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.433 -0.792 . . . . 0.0 109.471 -179.854 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 90' ' ' HIS . . . . . . . . . . . . . 1.2 t-80 58.2 40.02 25.28 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 120.993 -1.067 . . . . 0.0 109.305 -179.662 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 87.3 tt0 . . . . . 0 N--CA 1.491 1.598 0 CA-C-O 118.008 -0.996 . . . . 0.0 109.28 179.982 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 92' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 93' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' B' B ' 92' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' B' B ' 93' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 36.6 ttp . . . . . 0 N--CA 1.49 1.555 0 N-CA-C 109.388 -0.597 . . . . 0.0 109.388 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 47.5 t -127.99 164.58 22.04 Favored 'General case' 0 N--CA 1.499 1.979 0 O-C-N 121.564 -0.71 . . . . 0.0 109.186 -179.924 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 2' ' ' GLU . . . . . 0.416 ' H ' ' CD ' ' A' ' 2' ' ' GLU . 58.5 mp0 -59.99 -40.1 88.01 Favored 'General case' 0 C--N 1.303 -1.454 0 O-C-N 121.462 -0.774 . . . . 0.0 109.305 -179.832 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.407 HD11 ' OE1' ' B' ' 39' ' ' GLU . 1.0 OUTLIER -61.65 -32.67 72.85 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.346 -0.846 . . . . 0.0 110.337 -179.48 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -60.11 -40.38 89.5 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 120.794 -1.191 . . . . 0.0 108.685 -179.789 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 26.1 mttp -70.0 -26.65 64.17 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.239 -0.913 . . . . 0.0 109.705 179.216 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -60.03 -43.62 95.17 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.166 -0.958 . . . . 0.0 109.663 -179.387 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 66.4 mtt -60.0 -40.02 87.76 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 120.746 -1.221 . . . . 0.0 108.853 179.322 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 77.2 t -69.98 -39.84 77.91 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.588 0 O-C-N 121.46 -0.775 . . . . 0.0 109.885 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.32 -46.53 88.35 Favored 'General case' 0 N--CA 1.494 1.761 0 O-C-N 121.18 -0.95 . . . . 0.0 110.479 -178.456 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -60.01 -40.64 89.96 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 120.768 -1.207 . . . . 0.0 108.78 179.674 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 86.8 mt -69.56 -41.92 80.52 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.67 0 O-C-N 121.084 -1.01 . . . . 0.0 109.61 179.573 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 11.5 t0 -64.28 -47.06 80.99 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.268 -0.895 . . . . 0.0 109.639 -179.772 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 53.4 t -63.74 -41.51 92.83 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.479 0 O-C-N 121.25 -0.906 . . . . 0.0 108.914 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 59.3 t80 -59.97 -50.03 75.35 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.413 -0.805 . . . . 0.0 109.481 179.706 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 82.9 t60 -70.26 -44.27 68.81 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.63 -0.669 . . . . 0.0 111.322 -179.247 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 30.1 tt0 -60.01 -48.51 81.4 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 120.975 -1.078 . . . . 0.0 110.467 -178.625 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 4.4 m-85 -70.02 -36.21 74.91 Favored 'General case' 0 N--CA 1.494 1.755 0 O-C-N 121.149 -0.97 . . . . 0.0 110.47 -179.589 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 19.0 t -59.79 -39.98 86.79 Favored 'General case' 0 C--N 1.301 -1.531 0 O-C-N 120.729 -1.232 . . . . 0.0 109.908 -178.679 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -81.74 -7.27 88.28 Favored Glycine 0 N--CA 1.493 2.451 0 C-N-CA 120.107 -1.044 . . . . 0.0 111.149 -179.664 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.593 ' HE ' ' C ' ' A' ' 20' ' ' ARG . 0.0 OUTLIER -70.03 -29.31 66.32 Favored 'General case' 0 N--CA 1.496 1.869 0 O-C-N 120.654 -1.498 . . . . 0.0 110.709 -178.774 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 86.4 tt0 -108.27 -87.75 0.49 Allowed 'General case' 0 N--CA 1.5 2.037 0 O-C-N 121.193 -0.942 . . . . 0.0 110.144 -179.177 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -93.09 -154.78 31.46 Favored Glycine 0 N--CA 1.495 2.573 0 N-CA-C 109.831 -1.308 . . . . 0.0 109.831 -179.585 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' ASP . . . . . 0.531 ' OD1' ' CE1' ' A' ' 25' ' ' HIS . 34.6 p-10 -74.25 165.29 25.43 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.327 -1.102 . . . . 0.0 109.139 179.933 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 24' ' ' LYS . . . . . 0.462 ' CD ' ' H ' ' A' ' 24' ' ' LYS . 0.0 OUTLIER -84.96 105.4 15.7 Favored 'General case' 0 N--CA 1.496 1.832 0 O-C-N 121.076 -1.015 . . . . 0.0 109.75 -178.903 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 25' ' ' HIS . . . . . 0.566 ' CG ' ' N ' ' A' ' 26' ' ' LYS . 8.0 p-80 -169.64 -48.56 0.02 OUTLIER 'General case' 0 N--CA 1.494 1.732 0 O-C-N 121.095 -1.003 . . . . 0.0 109.697 179.208 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.566 ' N ' ' CG ' ' A' ' 25' ' ' HIS . 47.8 mtpt -141.54 157.24 45.38 Favored 'General case' 0 N--CA 1.499 1.982 0 O-C-N 121.421 -0.799 . . . . 0.0 108.87 179.521 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -107.57 139.0 42.77 Favored 'General case' 0 N--CA 1.5 2.031 0 O-C-N 121.354 -0.842 . . . . 0.0 109.034 179.741 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 44.0 mmtm -89.36 169.06 11.73 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.517 -0.74 . . . . 0.0 109.055 -179.874 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 61.0 pttt -60.04 -31.21 69.75 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.192 -0.943 . . . . 0.0 109.666 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 88.6 p -60.03 -39.84 87.28 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.238 -0.914 . . . . 0.0 109.784 -179.825 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 -67.6 -31.52 71.62 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.1 -1.0 . . . . 0.0 110.02 -179.536 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -60.1 -43.8 95.3 Favored 'General case' 0 N--CA 1.497 1.882 0 O-C-N 121.195 -0.941 . . . . 0.0 109.135 -179.545 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 61.0 tttp -59.97 -45.3 93.12 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.282 -0.886 . . . . 0.0 110.202 -179.574 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -69.28 -38.47 78.38 Favored 'General case' 0 N--CA 1.494 1.748 0 O-C-N 121.128 -0.983 . . . . 0.0 110.192 179.762 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 28.4 tp -59.97 -41.02 91.05 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.312 -0.867 . . . . 0.0 109.904 -178.603 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 96.6 mt -67.22 -41.12 86.37 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.72 0 O-C-N 121.005 -1.059 . . . . 0.0 110.539 -179.302 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 59.7 t30 -68.05 -35.13 77.73 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.16 -0.963 . . . . 0.0 110.125 -179.493 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 16.3 t-20 -59.94 -45.07 93.8 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.227 -0.921 . . . . 0.0 111.07 -178.459 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 39' ' ' GLU . . . . . 0.464 ' OE1' HD11 ' B' ' 3' ' ' LEU . 2.3 pt-20 -108.73 -93.31 0.42 Allowed 'General case' 0 N--CA 1.504 2.244 0 O-C-N 121.062 -1.024 . . . . 0.0 111.077 -178.675 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 70.6 mt -50.37 94.89 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.369 -0.832 . . . . 0.0 111.155 -178.195 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 94.2 p -109.9 -58.84 2.0 Favored 'General case' 0 N--CA 1.496 1.83 0 N-CA-C 108.076 -1.083 . . . . 0.0 108.076 178.047 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 86.0 t60 -68.05 -40.09 82.9 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.565 -0.709 . . . . 0.0 110.263 179.439 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 43' ' ' PHE . . . . . 0.567 ' C ' HD22 ' A' ' 44' ' ' LEU . 47.1 m-85 -59.91 -40.07 87.55 Favored 'General case' 0 N--CA 1.494 1.742 0 O-C-N 121.139 -0.976 . . . . 0.0 110.364 -178.836 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.567 HD22 ' C ' ' A' ' 43' ' ' PHE . 3.9 mm? -115.97 109.81 18.08 Favored 'General case' 0 N--CA 1.503 2.185 0 O-C-N 121.26 -0.9 . . . . 0.0 108.864 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 45' ' ' GLU . . . . . 0.453 ' CD ' ' H ' ' A' ' 45' ' ' GLU . 3.5 pm0 -119.94 -5.97 10.06 Favored 'General case' 0 N--CA 1.499 2.016 0 O-C-N 121.458 -0.776 . . . . 0.0 109.573 179.197 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.411 ' OE1' ' N ' ' A' ' 46' ' ' GLU . 32.9 mp0 -84.0 -9.88 58.32 Favored 'General case' 0 N--CA 1.495 1.784 0 O-C-N 121.157 -0.965 . . . . 0.0 110.085 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 99.5 mt -79.49 91.83 1.58 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.615 0 O-C-N 120.767 -1.208 . . . . 0.0 109.746 -179.414 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 97.4 mttt -124.75 -29.55 3.4 Favored 'General case' 0 N--CA 1.496 1.852 0 N-CA-C 107.961 -1.125 . . . . 0.0 107.961 178.483 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 68.2 mm-40 -104.84 137.32 42.8 Favored 'General case' 0 N--CA 1.493 1.68 0 N-CA-C 108.635 -0.876 . . . . 0.0 108.635 179.462 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 4.5 pp0? -61.27 -21.33 63.82 Favored 'General case' 0 C--N 1.301 -1.543 0 O-C-N 121.171 -0.956 . . . . 0.0 109.703 -179.882 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 89.1 tt0 -60.02 -41.49 92.27 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.248 -0.908 . . . . 0.0 110.134 -178.617 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 55.1 t -60.04 -41.77 87.49 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.572 0 O-C-N 120.928 -1.108 . . . . 0.0 109.369 179.846 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 63.4 t -60.47 -42.88 92.82 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.45 0 O-C-N 121.17 -0.956 . . . . 0.0 109.581 -179.855 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 98.6 m-20 -62.73 -41.84 99.36 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.055 -1.028 . . . . 0.0 109.915 -179.907 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 61.3 tttm -66.63 -44.64 81.46 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.119 -0.988 . . . . 0.0 109.286 179.752 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 55.1 t -70.03 -40.95 79.1 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.583 0 O-C-N 121.582 -0.699 . . . . 0.0 110.052 179.871 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 23.1 ttt -60.33 -42.36 95.49 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.305 -0.872 . . . . 0.0 110.784 -179.111 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -69.6 -39.95 76.95 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.114 -0.991 . . . . 0.0 110.677 -179.051 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 93.7 m -63.28 -41.58 99.02 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.202 -0.936 . . . . 0.0 110.713 -179.525 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.559 HD13 ' O ' ' A' ' 60' ' ' LEU . 0.2 OUTLIER -71.87 -39.98 69.27 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.215 -0.928 . . . . 0.0 110.987 -178.47 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 93.6 m-20 -71.84 119.15 15.6 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 120.714 -1.241 . . . . 0.0 109.628 -178.952 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 66.6 mm-40 -70.03 -39.97 75.47 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.344 -0.848 . . . . 0.0 110.119 -179.852 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 29.9 p-10 -90.35 -8.04 51.75 Favored 'General case' 0 N--CA 1.494 1.768 0 O-C-N 121.117 -0.989 . . . . 0.0 110.566 -178.838 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 44.34 51.85 7.47 Favored Glycine 0 N--CA 1.495 2.627 0 N-CA-C 110.129 -1.188 . . . . 0.0 110.129 179.434 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 65' ' ' ASP . . . . . 0.4 ' N ' ' OD1' ' A' ' 65' ' ' ASP . 28.6 p-10 -88.98 -1.84 58.3 Favored 'General case' 0 N--CA 1.495 1.797 0 O-C-N 121.162 -1.199 . . . . 0.0 110.06 -179.592 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 80.91 -3.64 74.7 Favored Glycine 0 N--CA 1.493 2.483 0 N-CA-C 110.042 -1.223 . . . . 0.0 110.042 179.54 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 80.0 mm-40 -121.77 150.17 42.24 Favored 'General case' 0 N--CA 1.501 2.091 0 O-C-N 121.514 -0.992 . . . . 0.0 108.886 179.83 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 3.3 m -101.02 111.82 24.12 Favored 'General case' 0 N--CA 1.496 1.869 0 O-C-N 121.392 -0.817 . . . . 0.0 109.474 179.938 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 64.0 m-20 -89.05 164.34 15.1 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.547 -0.721 . . . . 0.0 109.155 179.781 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 58.8 t80 -59.95 -40.31 88.56 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.122 -0.986 . . . . 0.0 109.127 -179.611 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 46.2 mt-30 -60.14 -40.04 88.41 Favored 'General case' 0 N--CA 1.488 1.434 0 O-C-N 121.37 -0.831 . . . . 0.0 108.949 179.72 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 95.9 mt-10 -69.87 -36.75 75.73 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.382 -0.824 . . . . 0.0 109.446 179.614 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 57.7 t80 -59.95 -48.64 80.87 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.428 -0.795 . . . . 0.0 109.292 -179.457 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 74' ' ' MET . . . . . 0.519 ' SD ' ' O ' ' A' ' 74' ' ' MET . 0.0 OUTLIER -60.13 -40.17 88.82 Favored 'General case' 0 C--N 1.301 -1.536 0 N-CA-C 108.576 -0.898 . . . . 0.0 108.576 179.581 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -60.79 -36.99 80.41 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.486 -0.759 . . . . 0.0 110.49 179.928 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 36.7 t80 -60.02 -44.95 94.26 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.144 -0.972 . . . . 0.0 109.574 -178.715 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 71.9 t -65.61 -40.23 87.38 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.478 0 O-C-N 121.15 -0.969 . . . . 0.0 109.662 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 30.4 t -63.3 -40.37 97.17 Favored 'General case' 0 N--CA 1.494 1.76 0 O-C-N 121.34 -0.85 . . . . 0.0 110.832 -179.161 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 13.8 tpt -60.03 -43.84 95.04 Favored 'General case' 0 N--CA 1.494 1.739 0 O-C-N 120.908 -1.12 . . . . 0.0 109.839 -179.079 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 55.3 t -65.01 -49.0 81.73 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.666 0 O-C-N 120.901 -1.125 . . . . 0.0 109.601 179.894 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 2.8 m -70.49 -39.63 74.06 Favored 'General case' 0 N--CA 1.489 1.475 0 O-C-N 121.308 -0.87 . . . . 0.0 110.139 -179.279 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 94.2 m -60.01 -41.01 91.22 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.055 -1.028 . . . . 0.0 110.454 -178.894 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -70.39 -40.04 74.18 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.045 -1.034 . . . . 0.0 110.495 -179.6 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 74.9 m -80.2 134.38 36.12 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.155 -0.966 . . . . 0.0 111.234 -178.194 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 2.2 m-70 -82.94 -145.96 0.07 Allowed 'General case' 0 N--CA 1.489 1.511 0 N-CA-C 107.428 -1.323 . . . . 0.0 107.428 178.281 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 86' ' ' GLU . . . . . 0.445 ' H ' ' CD ' ' A' ' 86' ' ' GLU . 40.5 mp0 -59.9 -40.09 87.62 Favored 'General case' 0 C--N 1.301 -1.539 0 N-CA-C 106.989 -1.486 . . . . 0.0 106.989 178.26 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 40.1 t80 43.56 66.66 0.77 Allowed 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.637 -0.664 . . . . 0.0 110.698 178.127 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 88' ' ' PHE . . . . . 0.523 ' CG ' ' O ' ' A' ' 88' ' ' PHE . 1.9 p90 -149.16 117.02 6.27 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.155 -0.966 . . . . 0.0 109.349 179.259 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -83.17 -130.78 0.03 OUTLIER 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.314 -0.867 . . . . 0.0 109.311 -179.738 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 90' ' ' HIS . . . . . 0.428 ' O ' ' O ' ' A' ' 91' ' ' GLU . 87.2 m-70 49.45 90.73 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.602 0 O-C-N 120.99 -1.069 . . . . 0.0 109.386 -179.849 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 91' ' ' GLU . . . . . 0.428 ' O ' ' O ' ' A' ' 90' ' ' HIS . 45.9 tp10 . . . . . 0 N--CA 1.493 1.704 0 CA-C-O 118.087 -0.959 . . . . 0.0 109.578 -179.711 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 0' ' ' MET . . . . . . . . . . . . . 35.5 ttp . . . . . 0 N--CA 1.489 1.491 0 N-CA-C 109.45 -0.574 . . . . 0.0 109.45 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 48.2 t -127.91 164.73 21.64 Favored 'General case' 0 N--CA 1.496 1.871 0 O-C-N 121.491 -0.756 . . . . 0.0 109.255 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 2' ' ' GLU . . . . . 0.444 ' H ' ' CD ' ' B' ' 2' ' ' GLU . 58.4 mp0 -59.96 -39.97 87.45 Favored 'General case' 0 C--N 1.302 -1.46 0 O-C-N 121.402 -0.811 . . . . 0.0 109.343 -179.867 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 3' ' ' LEU . . . . . 0.464 HD11 ' OE1' ' A' ' 39' ' ' GLU . 1.0 OUTLIER -62.26 -32.23 72.9 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.296 -0.877 . . . . 0.0 110.222 -179.488 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -60.01 -40.31 88.83 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 120.384 -1.447 . . . . 0.0 108.628 -179.94 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 21.5 mttp -70.06 -27.1 64.35 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.289 -0.882 . . . . 0.0 109.737 179.417 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -60.04 -42.91 95.47 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.098 -1.001 . . . . 0.0 109.758 -179.332 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 7' ' ' MET . . . . . . . . . . . . . 66.7 mtt -60.17 -39.97 88.3 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 120.773 -1.205 . . . . 0.0 108.684 179.42 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 73.8 t -69.94 -39.87 78.03 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.666 0 O-C-N 121.453 -0.779 . . . . 0.0 109.792 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.17 -46.96 87.01 Favored 'General case' 0 N--CA 1.494 1.749 0 O-C-N 121.224 -0.923 . . . . 0.0 110.529 -178.338 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -59.95 -40.13 87.97 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 120.763 -1.211 . . . . 0.0 108.764 179.802 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 88.4 mt -69.97 -41.95 79.5 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.634 0 O-C-N 121.171 -0.956 . . . . 0.0 109.402 179.727 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 11.3 t0 -64.39 -47.03 80.78 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 121.247 -0.908 . . . . 0.0 109.656 -179.751 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 54.4 t -63.84 -41.3 92.11 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.471 0 O-C-N 121.267 -0.895 . . . . 0.0 109.021 179.91 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 14' ' ' PHE . . . . . . . . . . . . . 58.2 t80 -60.04 -49.95 75.65 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.393 -0.817 . . . . 0.0 109.505 179.549 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 82.6 t60 -70.37 -44.15 68.66 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.584 -0.697 . . . . 0.0 111.262 -179.201 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 30.3 tt0 -60.06 -48.68 80.7 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 120.939 -1.1 . . . . 0.0 110.379 -178.648 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 4.3 m-85 -69.93 -36.23 75.16 Favored 'General case' 0 N--CA 1.495 1.776 0 O-C-N 121.088 -1.007 . . . . 0.0 110.522 -179.621 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 20.0 t -59.66 -40.13 86.74 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 120.718 -1.239 . . . . 0.0 109.892 -178.696 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -81.89 -6.99 88.51 Favored Glycine 0 N--CA 1.492 2.427 0 C-N-CA 120.088 -1.053 . . . . 0.0 111.202 -179.493 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 20' ' ' ARG . . . . . 0.593 ' C ' ' HE ' ' B' ' 20' ' ' ARG . 0.0 OUTLIER -70.09 -29.38 66.34 Favored 'General case' 0 N--CA 1.495 1.811 0 O-C-N 120.611 -1.523 . . . . 0.0 110.721 -178.808 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 86.4 tt0 -108.47 -87.67 0.49 Allowed 'General case' 0 N--CA 1.499 2.014 0 O-C-N 121.233 -0.917 . . . . 0.0 110.134 -179.174 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . -92.95 -154.61 31.3 Favored Glycine 0 N--CA 1.496 2.679 0 N-CA-C 109.868 -1.293 . . . . 0.0 109.868 -179.549 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 23' ' ' ASP . . . . . 0.533 ' OD1' ' CE1' ' B' ' 25' ' ' HIS . 34.5 p-10 -74.76 165.14 25.72 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.282 -1.128 . . . . 0.0 109.101 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 24' ' ' LYS . . . . . 0.49 ' CD ' ' H ' ' B' ' 24' ' ' LYS . 0.0 OUTLIER -84.5 105.47 15.34 Favored 'General case' 0 N--CA 1.497 1.924 0 O-C-N 121.103 -0.998 . . . . 0.0 109.697 -178.861 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' B' B ' 25' ' ' HIS . . . . . 0.566 ' CG ' ' N ' ' B' ' 26' ' ' LYS . 7.9 p-80 -169.85 -48.42 0.02 OUTLIER 'General case' 0 N--CA 1.494 1.729 0 O-C-N 121.107 -0.995 . . . . 0.0 109.781 179.215 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 26' ' ' LYS . . . . . 0.566 ' N ' ' CG ' ' B' ' 25' ' ' HIS . 47.1 mtpt -141.67 157.62 44.84 Favored 'General case' 0 N--CA 1.497 1.914 0 O-C-N 121.373 -0.829 . . . . 0.0 108.792 179.517 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -108.19 138.96 43.57 Favored 'General case' 0 N--CA 1.5 2.027 0 O-C-N 121.299 -0.876 . . . . 0.0 108.943 179.761 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 44.2 mmtm -89.33 169.18 11.64 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.485 -0.76 . . . . 0.0 109.027 -179.701 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 61.7 pttt -60.02 -31.3 69.82 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.305 -0.872 . . . . 0.0 109.662 179.935 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 88.3 p -60.03 -39.73 86.9 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.229 -0.919 . . . . 0.0 109.841 -179.902 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 -67.7 -31.48 71.46 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.089 -1.007 . . . . 0.0 109.902 -179.59 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -60.0 -44.09 94.78 Favored 'General case' 0 N--CA 1.495 1.802 0 O-C-N 121.108 -0.995 . . . . 0.0 109.197 -179.558 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 58.5 tttp -60.0 -44.84 94.28 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.317 -0.864 . . . . 0.0 110.195 -179.481 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -69.45 -38.38 77.76 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 121.095 -1.003 . . . . 0.0 110.209 179.731 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 30.1 tp -59.94 -41.13 91.14 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.188 -0.945 . . . . 0.0 110.005 -178.696 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 96.9 mt -67.12 -41.23 86.75 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.786 0 O-C-N 120.986 -1.071 . . . . 0.0 110.566 -179.198 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 59.0 t30 -68.12 -34.99 77.41 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.069 -1.019 . . . . 0.0 110.138 -179.449 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 16.4 t-20 -59.99 -45.03 94.06 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.242 -0.911 . . . . 0.0 111.145 -178.557 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 39' ' ' GLU . . . . . 0.407 ' OE1' HD11 ' A' ' 3' ' ' LEU . 2.2 pt-20 -108.76 -92.85 0.42 Allowed 'General case' 0 N--CA 1.505 2.278 0 O-C-N 121.096 -1.003 . . . . 0.0 110.971 -178.591 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 70.7 mt -50.93 94.82 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.371 -0.831 . . . . 0.0 111.273 -178.122 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 90.5 p -109.77 -59.07 1.97 Allowed 'General case' 0 N--CA 1.496 1.854 0 N-CA-C 108.098 -1.075 . . . . 0.0 108.098 178.134 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 42' ' ' HIS . . . . . . . . . . . . . 86.0 t60 -67.93 -39.92 83.41 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.589 -0.694 . . . . 0.0 110.232 179.495 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 43' ' ' PHE . . . . . 0.556 ' C ' HD22 ' B' ' 44' ' ' LEU . 47.3 m-85 -59.99 -40.06 87.87 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.17 -0.956 . . . . 0.0 110.377 -178.822 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 44' ' ' LEU . . . . . 0.556 HD22 ' C ' ' B' ' 43' ' ' PHE . 4.0 mm? -116.01 109.56 17.71 Favored 'General case' 0 N--CA 1.502 2.129 0 O-C-N 121.312 -0.868 . . . . 0.0 108.964 -179.888 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 45' ' ' GLU . . . . . 0.44 ' CD ' ' H ' ' B' ' 45' ' ' GLU . 3.6 pm0 -119.83 -5.91 10.11 Favored 'General case' 0 N--CA 1.501 2.091 0 O-C-N 121.421 -0.8 . . . . 0.0 109.651 179.312 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 46' ' ' GLU . . . . . 0.406 ' N ' ' OE1' ' B' ' 46' ' ' GLU . 33.3 mp0 -84.24 -9.24 58.68 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 121.221 -0.925 . . . . 0.0 109.977 179.936 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 99.2 mt -80.05 91.45 1.68 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.623 0 O-C-N 120.846 -1.159 . . . . 0.0 109.854 -179.497 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 97.9 mttt -124.46 -29.31 3.51 Favored 'General case' 0 N--CA 1.496 1.848 0 N-CA-C 107.959 -1.126 . . . . 0.0 107.959 178.586 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 67.8 mm-40 -105.12 137.19 43.26 Favored 'General case' 0 N--CA 1.493 1.696 0 N-CA-C 108.737 -0.838 . . . . 0.0 108.737 179.459 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 4.5 pp0? -61.3 -21.21 63.75 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.237 -0.914 . . . . 0.0 109.757 -179.818 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 89.0 tt0 -59.89 -41.82 92.45 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.311 -0.868 . . . . 0.0 110.171 -178.83 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 54.5 t -60.02 -41.45 86.29 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.587 0 O-C-N 120.943 -1.098 . . . . 0.0 109.342 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 53.1 t -60.99 -42.39 92.8 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.459 0 O-C-N 121.307 -0.871 . . . . 0.0 109.676 -179.79 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 98.5 m-20 -62.98 -41.92 99.69 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.027 -1.046 . . . . 0.0 109.783 -179.941 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 61.0 tttm -66.44 -44.67 82.2 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.234 -0.916 . . . . 0.0 109.224 179.707 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 54.5 t -70.04 -40.72 78.81 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.527 0 O-C-N 121.522 -0.736 . . . . 0.0 109.831 -179.909 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 57' ' ' MET . . . . . . . . . . . . . 22.7 ttt -60.68 -42.63 97.5 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.308 -0.87 . . . . 0.0 110.821 -178.924 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -69.22 -39.99 78.22 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.223 -0.923 . . . . 0.0 110.589 -178.859 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 94.5 m -63.19 -41.89 99.26 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 121.037 -1.039 . . . . 0.0 110.538 -179.517 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 60' ' ' LEU . . . . . 0.55 HD13 ' O ' ' B' ' 60' ' ' LEU . 0.2 OUTLIER -71.63 -39.96 70.07 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.275 -0.891 . . . . 0.0 111.037 -178.407 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 94.1 m-20 -71.97 119.14 15.73 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 120.774 -1.204 . . . . 0.0 109.711 -178.927 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 66.2 mm-40 -69.94 -40.05 75.71 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.386 -0.821 . . . . 0.0 110.144 -179.888 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 63' ' ' ASP . . . . . 0.404 ' N ' ' OD1' ' B' ' 63' ' ' ASP . 30.0 p-10 -90.28 -7.94 52.16 Favored 'General case' 0 N--CA 1.495 1.775 0 O-C-N 121.191 -0.943 . . . . 0.0 110.63 -178.813 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 44.44 51.58 7.7 Favored Glycine 0 N--CA 1.497 2.711 0 N-CA-C 110.085 -1.206 . . . . 0.0 110.085 179.458 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 65' ' ' ASP . . . . . 0.414 ' OD1' ' N ' ' B' ' 65' ' ' ASP . 29.1 p-10 -88.95 -1.91 58.33 Favored 'General case' 0 N--CA 1.495 1.815 0 O-C-N 121.17 -1.194 . . . . 0.0 110.016 -179.606 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 80.65 -2.87 77.18 Favored Glycine 0 N--CA 1.492 2.406 0 N-CA-C 110.03 -1.228 . . . . 0.0 110.03 179.372 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 79.7 mm-40 -122.28 150.02 42.9 Favored 'General case' 0 N--CA 1.499 1.976 0 O-C-N 121.478 -1.013 . . . . 0.0 108.791 179.716 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 68' ' ' CYS . . . . . . . . . . . . . 3.4 m -101.05 112.09 24.46 Favored 'General case' 0 N--CA 1.496 1.833 0 O-C-N 121.291 -0.88 . . . . 0.0 109.399 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 63.4 m-20 -89.2 164.49 14.96 Favored 'General case' 0 N--CA 1.493 1.686 0 N-CA-C 109.168 -0.679 . . . . 0.0 109.168 179.612 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 58.5 t80 -59.94 -40.48 89.08 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.23 -0.919 . . . . 0.0 109.089 -179.675 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 43.7 mt-30 -59.98 -40.02 87.72 Favored 'General case' 0 N--CA 1.488 1.449 0 O-C-N 121.395 -0.816 . . . . 0.0 108.95 179.862 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 96.0 mt-10 -69.92 -36.89 75.7 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.376 -0.828 . . . . 0.0 109.467 179.727 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 73' ' ' PHE . . . . . . . . . . . . . 60.7 t80 -59.9 -48.66 80.8 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.415 -0.803 . . . . 0.0 109.33 -179.39 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 74' ' ' MET . . . . . 0.504 ' SD ' ' O ' ' B' ' 74' ' ' MET . 0.0 OUTLIER -60.03 -40.01 87.89 Favored 'General case' 0 C--N 1.3 -1.547 0 N-CA-C 108.527 -0.916 . . . . 0.0 108.527 179.487 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -60.62 -37.21 80.68 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 121.52 -0.738 . . . . 0.0 110.389 179.883 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 36.9 t80 -60.05 -45.18 93.7 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.231 -0.918 . . . . 0.0 109.622 -178.611 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 77' ' ' VAL . . . . . . . . . . . . . 78.5 t -65.49 -39.99 86.84 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.509 0 O-C-N 121.257 -0.902 . . . . 0.0 109.633 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 78' ' ' SER . . . . . . . . . . . . . 29.5 t -63.61 -40.4 96.82 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.235 -0.916 . . . . 0.0 110.795 -179.083 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 79' ' ' MET . . . . . . . . . . . . . 13.6 tpt -60.0 -43.73 95.0 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 120.917 -1.115 . . . . 0.0 109.919 -179.101 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 54.8 t -64.98 -49.08 81.43 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.674 0 O-C-N 121.0 -1.062 . . . . 0.0 109.695 179.882 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 2.7 m -70.4 -39.65 74.36 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.353 -0.842 . . . . 0.0 110.118 -179.371 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 94.6 m -60.02 -41.45 92.21 Favored 'General case' 0 N--CA 1.494 1.745 0 O-C-N 121.116 -0.99 . . . . 0.0 110.093 -178.651 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -69.98 -40.04 75.6 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.101 -0.999 . . . . 0.0 110.65 -179.438 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 84' ' ' CYS . . . . . . . . . . . . . 77.6 m -80.09 134.37 36.18 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.123 -0.986 . . . . 0.0 111.324 -178.343 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 85' ' ' HIS . . . . . . . . . . . . . 2.2 m-70 -82.79 -145.97 0.07 Allowed 'General case' 0 N--CA 1.489 1.516 0 N-CA-C 107.479 -1.304 . . . . 0.0 107.479 178.274 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 86' ' ' GLU . . . . . 0.404 ' H ' ' CD ' ' B' ' 86' ' ' GLU . 40.5 mp0 -60.06 -39.97 87.87 Favored 'General case' 0 C--N 1.302 -1.483 0 N-CA-C 107.025 -1.472 . . . . 0.0 107.025 178.24 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 87' ' ' PHE . . . . . . . . . . . . . 41.7 t80 43.55 66.54 0.79 Allowed 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.667 -0.646 . . . . 0.0 110.652 178.101 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 88' ' ' PHE . . . . . 0.528 ' CG ' ' O ' ' B' ' 88' ' ' PHE . 2.0 p90 -148.93 116.93 6.33 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.032 -1.043 . . . . 0.0 109.395 179.359 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -82.85 -129.96 0.03 OUTLIER 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.335 -0.853 . . . . 0.0 109.429 -179.597 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 90' ' ' HIS . . . . . 0.442 ' O ' ' O ' ' B' ' 91' ' ' GLU . 87.4 m-70 48.22 91.46 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.038 -1.039 . . . . 0.0 109.474 -179.631 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 91' ' ' GLU . . . . . 0.442 ' O ' ' O ' ' B' ' 90' ' ' HIS . 45.9 tp10 . . . . . 0 N--CA 1.492 1.652 0 CA-C-O 118.12 -0.943 . . . . 0.0 109.677 -179.783 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 92' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 93' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' B' B ' 92' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' B' B ' 93' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 41.4 tpp . . . . . 0 N--CA 1.492 1.651 0 N-CA-C 108.962 -0.755 . . . . 0.0 108.962 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 3.8 t -82.14 103.89 12.08 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.101 -0.999 . . . . 0.0 109.608 -179.715 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 48.1 mt-10 -69.79 -39.01 76.87 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.403 -0.811 . . . . 0.0 109.537 179.797 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 51.7 tp -60.03 -47.21 86.79 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.372 -0.83 . . . . 0.0 109.584 -179.051 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 88.2 tt0 -60.01 -49.9 75.86 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.035 -1.04 . . . . 0.0 109.665 -179.686 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 37.6 ttpt -60.84 -42.83 98.54 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.27 -0.894 . . . . 0.0 109.937 179.537 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -64.07 -39.61 94.45 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.431 -0.793 . . . . 0.0 110.499 -179.326 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 12.7 ttm -59.99 -41.65 92.53 Favored 'General case' 0 N--CA 1.495 1.789 0 O-C-N 120.874 -1.141 . . . . 0.0 109.334 -179.305 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 96.4 t -67.93 -36.87 77.19 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.628 0 O-C-N 121.201 -0.937 . . . . 0.0 109.91 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -53.11 -41.7 65.27 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.125 -0.984 . . . . 0.0 110.196 -178.481 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.429 ' N ' HD12 ' A' ' 10' ' ' LEU . 11.1 mp -60.38 -42.53 96.05 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 120.815 -1.178 . . . . 0.0 108.859 179.405 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 36.5 mm -66.13 -44.06 91.9 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.678 0 O-C-N 121.196 -0.94 . . . . 0.0 109.55 179.614 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 7.1 t70 -60.42 -48.24 82.61 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.274 -0.892 . . . . 0.0 110.397 -179.762 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 95.4 t -69.31 -46.29 77.38 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.495 0 O-C-N 121.354 -0.841 . . . . 0.0 109.764 -179.103 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 62.2 t80 -60.07 -48.46 81.61 Favored 'General case' 0 C--N 1.299 -1.59 0 O-C-N 121.519 -0.738 . . . . 0.0 110.273 -179.381 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 52.1 t-80 -60.04 -41.79 93.03 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.252 -0.905 . . . . 0.0 111.145 -179.051 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 4.1 tp-100 -60.58 -53.55 56.09 Favored 'General case' 0 N--CA 1.495 1.814 0 O-C-N 120.944 -1.098 . . . . 0.0 110.514 -179.028 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 8.3 m-85 -71.93 -40.02 69.06 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.179 -0.95 . . . . 0.0 110.304 -179.528 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' SER . . . . . 0.424 ' O ' ' O ' ' A' ' 23' ' ' ASP . 53.5 m -60.07 -41.51 92.58 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.005 -1.06 . . . . 0.0 109.92 -178.563 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -82.82 33.79 2.82 Favored Glycine 0 N--CA 1.492 2.393 0 N-CA-C 109.988 -1.245 . . . . 0.0 109.988 179.842 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.448 HH11 ' HG2' ' A' ' 20' ' ' ARG . 41.1 ttt-85 -59.77 -61.94 2.25 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 120.901 -1.353 . . . . 0.0 109.43 -179.123 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.524 ' O ' ' N ' ' A' ' 23' ' ' ASP . 85.9 tt0 -179.03 139.13 0.15 Allowed 'General case' 0 N--CA 1.497 1.903 0 N-CA-C 109.097 -0.705 . . . . 0.0 109.097 179.129 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 66.48 -51.15 0.2 Allowed Glycine 0 N--CA 1.494 2.535 0 N-CA-C 110.31 -1.116 . . . . 0.0 110.31 179.418 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' ASP . . . . . 0.524 ' N ' ' O ' ' A' ' 21' ' ' GLU . 11.7 p30 -89.1 115.67 26.8 Favored 'General case' 0 N--CA 1.497 1.901 0 O-C-N 121.119 -1.224 . . . . 0.0 109.349 -179.899 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 68.0 mttm -93.15 -80.1 0.39 Allowed 'General case' 0 N--CA 1.5 2.055 0 O-C-N 121.165 -0.959 . . . . 0.0 111.773 -178.581 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 89.1 m-70 -105.95 21.36 17.43 Favored 'General case' 0 N--CA 1.503 2.185 0 O-C-N 121.418 -0.801 . . . . 0.0 109.715 -179.031 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -133.01 153.89 51.05 Favored 'General case' 0 N--CA 1.493 1.714 0 N-CA-C 108.707 -0.849 . . . . 0.0 108.707 -179.868 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 59.1 mt -119.69 135.39 54.85 Favored 'General case' 0 N--CA 1.498 1.946 0 O-C-N 121.615 -0.678 . . . . 0.0 109.183 -179.225 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 32.5 mtmm -94.24 173.91 7.41 Favored 'General case' 0 N--CA 1.495 1.795 0 O-C-N 121.423 -0.798 . . . . 0.0 109.026 179.918 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -60.04 -40.14 88.34 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.031 -1.043 . . . . 0.0 109.399 -179.559 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 43.8 t -70.03 -45.95 66.09 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.078 -1.014 . . . . 0.0 109.538 179.645 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.441 ' OE2' ' OD2' ' A' ' 23' ' ' ASP . 4.0 tp10 -64.11 -39.95 95.16 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.329 -0.857 . . . . 0.0 109.661 179.838 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.689 HD13 ' C ' ' A' ' 32' ' ' LEU . 3.1 tm? -59.97 -49.07 79.12 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.324 -0.86 . . . . 0.0 109.778 -178.335 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 84.1 tttt -62.2 -40.66 96.83 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.089 -1.007 . . . . 0.0 109.975 -179.903 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 41.6 tt0 -62.64 -40.08 95.87 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.25 -0.907 . . . . 0.0 110.285 -179.439 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 7.0 tt -59.94 -48.18 82.74 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.133 -0.979 . . . . 0.0 109.9 -179.332 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.455 ' O ' ' O ' ' A' ' 39' ' ' GLU . 97.7 mt -65.77 -40.04 86.57 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.519 0 O-C-N 121.066 -1.021 . . . . 0.0 110.284 -179.86 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 73.3 m-20 -60.08 -49.55 77.22 Favored 'General case' 0 C--N 1.302 -1.491 0 O-C-N 120.748 -1.22 . . . . 0.0 110.423 -178.403 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 19.8 t-20 -80.49 -40.29 26.42 Favored 'General case' 0 N--CA 1.495 1.785 0 O-C-N 120.916 -1.115 . . . . 0.0 110.777 -179.605 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 39' ' ' GLU . . . . . 0.455 ' O ' ' O ' ' A' ' 36' ' ' ILE . 98.3 mt-10 -108.37 158.18 17.74 Favored 'General case' 0 N--CA 1.501 2.125 0 O-C-N 121.296 -0.877 . . . . 0.0 110.225 -178.76 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 5.9 tp 60.93 11.4 3.28 Favored 'General case' 0 C--N 1.302 -1.496 0 N-CA-C 108.383 -0.969 . . . . 0.0 108.383 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 41' ' ' SER . . . . . 0.439 ' O ' ' O ' ' A' ' 44' ' ' LEU . 51.7 p -70.02 -38.73 75.99 Favored 'General case' 0 N--CA 1.487 1.403 0 O-C-N 121.614 -0.679 . . . . 0.0 109.43 179.831 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 82.3 m-70 -68.64 -41.07 79.94 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.255 -0.903 . . . . 0.0 109.896 -179.479 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 2.1 t80 -71.91 -39.92 69.17 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.261 -0.9 . . . . 0.0 110.186 -179.044 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.439 ' O ' ' O ' ' A' ' 41' ' ' SER . 28.7 tp -122.06 147.74 45.73 Favored 'General case' 0 N--CA 1.503 2.219 0 O-C-N 121.306 -0.871 . . . . 0.0 109.513 -179.101 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -71.69 150.01 44.94 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.141 -0.975 . . . . 0.0 108.808 179.131 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 -67.06 147.55 53.03 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.059 -1.026 . . . . 0.0 109.91 -179.671 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 95.8 mt -93.45 130.13 42.9 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.806 0 O-C-N 121.498 -0.751 . . . . 0.0 109.577 -179.678 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 57.0 mtpt -100.18 -16.38 17.8 Favored 'General case' 0 N--CA 1.496 1.87 0 O-C-N 121.26 -0.9 . . . . 0.0 110.613 -179.003 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.433 ' OE1' ' N ' ' A' ' 49' ' ' GLU . 53.7 mp0 -110.16 130.22 55.58 Favored 'General case' 0 N--CA 1.505 2.292 0 O-C-N 121.258 -0.901 . . . . 0.0 110.428 -179.691 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 94.2 mt-30 -70.06 -26.98 64.27 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.62 -0.675 . . . . 0.0 109.814 179.124 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 88.4 tt0 -60.0 -40.07 87.93 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.335 -0.853 . . . . 0.0 109.827 -178.476 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 57.7 t -60.21 -43.34 93.04 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.595 0 O-C-N 121.017 -1.052 . . . . 0.0 108.96 179.388 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 76.9 t -61.0 -41.03 87.58 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.622 0 O-C-N 121.239 -0.913 . . . . 0.0 109.478 -179.864 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 7.1 t70 -59.99 -49.97 75.58 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.178 -0.951 . . . . 0.0 110.856 -179.444 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 9.1 mtmp? -61.45 -39.98 92.8 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 120.994 -1.066 . . . . 0.0 109.27 -179.226 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 55.4 t -62.19 -40.93 89.45 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.496 0 O-C-N 121.335 -0.853 . . . . 0.0 109.59 179.718 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 53.3 tpp -59.99 -43.03 95.42 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.186 -0.946 . . . . 0.0 109.773 -179.609 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 97.8 mt-10 -60.5 -40.48 91.51 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.202 -0.936 . . . . 0.0 110.371 -179.587 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 88.5 m -62.54 -42.53 99.59 Favored 'General case' 0 C--N 1.301 -1.543 0 O-C-N 121.365 -0.834 . . . . 0.0 109.854 -179.123 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.436 ' O ' ' N ' ' A' ' 62' ' ' GLU . 21.5 mt -82.2 -11.88 58.44 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 121.243 -0.911 . . . . 0.0 110.755 -179.604 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 99.9 m-20 -70.59 51.13 0.13 Allowed 'General case' 0 N--CA 1.493 1.683 0 O-C-N 120.88 -1.138 . . . . 0.0 109.612 -179.657 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 62' ' ' GLU . . . . . 0.436 ' N ' ' O ' ' A' ' 60' ' ' LEU . 76.3 mm-40 -61.65 -40.08 93.63 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.38 -0.825 . . . . 0.0 109.65 179.929 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 42.6 p-10 -82.53 -9.41 59.43 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 121.138 -0.976 . . . . 0.0 109.971 -179.47 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 65.08 31.04 79.51 Favored Glycine 0 N--CA 1.492 2.432 0 C-N-CA 119.893 -1.146 . . . . 0.0 110.266 179.252 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 65' ' ' ASP . . . . . 0.438 ' OD2' ' O ' ' A' ' 67' ' ' GLU . 31.8 p-10 -83.88 -9.69 58.55 Favored 'General case' 0 N--CA 1.495 1.776 0 O-C-N 120.961 -1.317 . . . . 0.0 109.949 -179.903 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 73.01 6.75 68.87 Favored Glycine 0 N--CA 1.493 2.439 0 N-CA-C 110.375 -1.09 . . . . 0.0 110.375 179.47 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.438 ' O ' ' OD2' ' A' ' 65' ' ' ASP . 16.0 pt-20 -148.12 159.97 43.38 Favored 'General case' 0 N--CA 1.496 1.861 0 O-C-N 121.007 -1.29 . . . . 0.0 109.73 -179.691 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 22.5 t -99.52 113.57 26.05 Favored 'General case' 0 N--CA 1.498 1.949 0 O-C-N 121.17 -0.956 . . . . 0.0 109.352 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 70.5 m-20 -97.52 -178.7 4.22 Favored 'General case' 0 N--CA 1.497 1.875 0 O-C-N 121.406 -0.809 . . . . 0.0 110.191 -179.518 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 58.5 t80 -59.99 -44.66 94.38 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.379 -0.825 . . . . 0.0 109.902 -179.737 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 12.6 pt20 -60.04 -47.13 87.13 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 120.879 -1.138 . . . . 0.0 108.455 179.456 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 78.0 tt0 -64.32 -36.84 85.42 Favored 'General case' 0 C--N 1.301 -1.502 0 O-C-N 121.538 -0.726 . . . . 0.0 109.291 178.851 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 64.4 t80 -59.97 -41.93 93.01 Favored 'General case' 0 N--CA 1.494 1.761 0 O-C-N 121.233 -0.917 . . . . 0.0 109.688 -179.72 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 11.0 tpt -60.03 -39.99 87.79 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.039 -1.038 . . . . 0.0 109.161 179.569 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -60.06 -36.04 76.47 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.555 -0.716 . . . . 0.0 109.601 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 13.5 t80 -59.95 -48.03 83.37 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.149 -0.97 . . . . 0.0 109.017 -179.19 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 86.5 t -65.1 -40.53 89.19 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.618 0 O-C-N 121.293 -0.88 . . . . 0.0 109.505 179.921 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 78' ' ' SER . . . . . 0.447 ' O ' HG23 ' A' ' 82' ' ' THR . 77.3 p -60.76 -36.21 78.35 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.395 -0.816 . . . . 0.0 109.684 179.808 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 28.2 ttt -60.09 -40.09 88.41 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.318 -0.864 . . . . 0.0 109.84 -178.89 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 53.0 t -68.28 -40.14 82.13 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.556 0 O-C-N 121.096 -1.003 . . . . 0.0 109.032 179.869 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 76.0 p -69.94 -40.39 75.52 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.238 -0.914 . . . . 0.0 110.189 -179.887 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 82' ' ' THR . . . . . 0.447 HG23 ' O ' ' A' ' 78' ' ' SER . 40.6 p -64.08 -39.67 94.57 Favored 'General case' 0 C--N 1.302 -1.461 0 O-C-N 121.109 -0.994 . . . . 0.0 109.152 179.854 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -68.39 -27.94 66.67 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.477 -0.764 . . . . 0.0 109.837 -179.93 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 51.4 t -46.74 107.85 0.12 Allowed 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.114 -0.991 . . . . 0.0 109.514 -179.875 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 7.1 t60 -138.96 114.28 9.62 Favored 'General case' 0 N--CA 1.496 1.857 0 O-C-N 121.32 -0.863 . . . . 0.0 108.899 179.906 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 21.8 tp10 65.33 22.4 12.04 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.491 -0.756 . . . . 0.0 109.358 -179.654 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 87' ' ' PHE . . . . . 0.428 ' O ' ' O ' ' A' ' 88' ' ' PHE . 2.7 m-85 -89.98 -81.41 0.29 Allowed 'General case' 0 N--CA 1.498 1.946 0 O-C-N 120.968 -1.083 . . . . 0.0 108.48 179.337 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 88' ' ' PHE . . . . . 0.428 ' O ' ' O ' ' A' ' 87' ' ' PHE . 95.3 m-85 38.2 93.35 0.01 OUTLIER 'General case' 0 N--CA 1.496 1.841 0 CA-C-O 121.221 0.534 . . . . 0.0 110.784 179.255 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -62.16 129.54 41.27 Favored 'General case' 0 N--CA 1.488 1.451 0 O-C-N 121.219 -0.926 . . . . 0.0 109.425 -179.805 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER 49.11 -130.95 1.85 Allowed 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.341 -0.849 . . . . 0.0 110.047 179.899 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 87.9 tt0 . . . . . 0 N--CA 1.496 1.864 0 CA-C-O 118.039 -0.982 . . . . 0.0 109.103 -179.786 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' B' B ' 0' ' ' MET . . . . . . . . . . . . . 45.0 tpp . . . . . 0 N--CA 1.491 1.62 0 N-CA-C 108.951 -0.759 . . . . 0.0 108.951 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 3.3 t -82.41 103.92 12.33 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.019 -1.051 . . . . 0.0 109.524 -179.778 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 48.4 mt-10 -69.89 -39.13 76.45 Favored 'General case' 0 N--CA 1.489 1.475 0 O-C-N 121.379 -0.826 . . . . 0.0 109.477 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 46.2 tp -60.0 -47.37 86.11 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.474 -0.766 . . . . 0.0 109.583 -179.123 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 88.2 tt0 -59.97 -49.85 76.06 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 120.954 -1.091 . . . . 0.0 109.704 -179.607 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 37.1 ttpt -60.84 -42.77 98.45 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.113 -0.992 . . . . 0.0 109.905 179.487 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -63.85 -39.86 95.21 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.398 -0.814 . . . . 0.0 110.506 -179.456 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 7' ' ' MET . . . . . . . . . . . . . 17.1 ttm -59.98 -41.57 92.28 Favored 'General case' 0 N--CA 1.494 1.768 0 O-C-N 120.768 -1.208 . . . . 0.0 109.398 -179.353 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 88.0 t -67.8 -37.73 79.0 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.512 0 O-C-N 121.26 -0.9 . . . . 0.0 109.864 -179.853 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -52.94 -40.65 63.81 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.179 -0.95 . . . . 0.0 110.255 -178.442 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 10' ' ' LEU . . . . . 0.435 HD12 ' N ' ' B' ' 10' ' ' LEU . 11.0 mp -61.28 -42.09 98.05 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 120.793 -1.192 . . . . 0.0 108.819 179.369 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 37.1 mm -66.54 -43.91 90.45 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.657 0 O-C-N 121.194 -0.941 . . . . 0.0 109.53 179.476 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 7.1 t70 -60.18 -48.5 81.45 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.365 -0.834 . . . . 0.0 110.357 -179.702 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 94.0 t -68.88 -46.58 78.93 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.518 0 O-C-N 121.387 -0.821 . . . . 0.0 109.866 -179.157 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 14' ' ' PHE . . . . . . . . . . . . . 60.2 t80 -59.97 -48.18 82.75 Favored 'General case' 0 C--N 1.301 -1.501 0 O-C-N 121.485 -0.759 . . . . 0.0 110.264 -179.468 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 53.3 t-80 -60.1 -42.14 94.03 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.228 -0.92 . . . . 0.0 111.15 -179.059 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 4.1 tp-100 -60.45 -53.4 58.0 Favored 'General case' 0 N--CA 1.496 1.835 0 O-C-N 120.99 -1.069 . . . . 0.0 110.49 -178.875 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 8.4 m-85 -71.95 -40.15 68.87 Favored 'General case' 0 N--CA 1.494 1.762 0 O-C-N 121.272 -0.893 . . . . 0.0 110.277 -179.462 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 18' ' ' SER . . . . . 0.425 ' O ' ' O ' ' B' ' 23' ' ' ASP . 55.6 m -59.91 -41.93 92.76 Favored 'General case' 0 C--N 1.3 -1.558 0 O-C-N 121.047 -1.033 . . . . 0.0 110.12 -178.762 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -82.63 33.88 2.77 Favored Glycine 0 N--CA 1.492 2.41 0 N-CA-C 109.902 -1.279 . . . . 0.0 109.902 179.793 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 20' ' ' ARG . . . . . 0.462 HH11 ' HG2' ' B' ' 20' ' ' ARG . 37.3 ttt-85 -59.67 -61.82 2.34 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 120.904 -1.351 . . . . 0.0 109.529 -179.193 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 21' ' ' GLU . . . . . 0.471 ' O ' ' N ' ' B' ' 23' ' ' ASP . 85.6 tt0 -179.26 139.19 0.14 Allowed 'General case' 0 N--CA 1.497 1.906 0 N-CA-C 109.029 -0.73 . . . . 0.0 109.029 179.257 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . 66.31 -51.25 0.19 Allowed Glycine 0 N--CA 1.493 2.473 0 N-CA-C 110.334 -1.106 . . . . 0.0 110.334 179.333 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 23' ' ' ASP . . . . . 0.506 ' N ' ' OD1' ' B' ' 23' ' ' ASP . 12.1 p30 -89.07 115.76 26.85 Favored 'General case' 0 N--CA 1.497 1.898 0 O-C-N 121.158 -1.201 . . . . 0.0 109.414 -179.799 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 68.0 mttm -92.91 -80.36 0.38 Allowed 'General case' 0 N--CA 1.5 2.054 0 O-C-N 121.248 -0.907 . . . . 0.0 111.986 -178.449 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 25' ' ' HIS . . . . . . . . . . . . . 88.3 m-70 -105.97 21.54 17.14 Favored 'General case' 0 N--CA 1.502 2.173 0 O-C-N 121.326 -0.859 . . . . 0.0 109.633 -179.012 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -133.6 153.45 51.65 Favored 'General case' 0 N--CA 1.493 1.678 0 N-CA-C 108.719 -0.845 . . . . 0.0 108.719 -179.672 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 53.7 mt -119.31 136.13 54.39 Favored 'General case' 0 N--CA 1.496 1.85 0 O-C-N 121.531 -0.73 . . . . 0.0 109.138 -179.175 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 31.5 mtmm -94.62 173.79 7.44 Favored 'General case' 0 N--CA 1.494 1.764 0 O-C-N 121.408 -0.807 . . . . 0.0 108.99 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -60.0 -39.99 87.67 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.035 -1.041 . . . . 0.0 109.506 -179.585 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 46.1 t -70.31 -45.35 66.44 Favored 'General case' 0 N--CA 1.488 1.465 0 O-C-N 121.054 -1.029 . . . . 0.0 109.511 179.663 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 31' ' ' GLU . . . . . 0.43 ' OE2' ' OD2' ' B' ' 23' ' ' ASP . 4.0 tp10 -64.73 -39.93 94.47 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.345 -0.847 . . . . 0.0 109.649 179.806 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 32' ' ' LEU . . . . . 0.696 ' C ' HD13 ' B' ' 32' ' ' LEU . 3.0 tm? -60.02 -49.5 77.43 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.228 -0.92 . . . . 0.0 109.398 -178.232 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 84.4 tttt -61.52 -40.91 96.32 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.092 -1.005 . . . . 0.0 110.051 -179.801 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 41.7 tt0 -62.6 -39.95 95.37 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.349 -0.845 . . . . 0.0 110.363 -179.441 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 6.7 tt -60.02 -48.21 82.65 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.178 -0.951 . . . . 0.0 109.905 -179.301 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 36' ' ' ILE . . . . . 0.456 ' O ' ' O ' ' B' ' 39' ' ' GLU . 96.6 mt -65.86 -40.05 86.45 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.583 0 O-C-N 121.038 -1.039 . . . . 0.0 110.188 -179.655 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 75.6 m-20 -59.95 -49.62 76.96 Favored 'General case' 0 C--N 1.301 -1.502 0 O-C-N 120.86 -1.15 . . . . 0.0 110.434 -178.535 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 19.6 t-20 -80.42 -40.34 26.58 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 120.927 -1.108 . . . . 0.0 110.757 -179.601 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 39' ' ' GLU . . . . . 0.456 ' O ' ' O ' ' B' ' 36' ' ' ILE . 98.1 mt-10 -108.7 158.04 17.98 Favored 'General case' 0 N--CA 1.501 2.1 0 O-C-N 121.162 -0.961 . . . . 0.0 110.284 -178.704 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 6.0 tp 60.96 11.76 3.51 Favored 'General case' 0 C--N 1.302 -1.484 0 N-CA-C 108.329 -0.989 . . . . 0.0 108.329 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 41' ' ' SER . . . . . 0.443 ' O ' ' O ' ' B' ' 44' ' ' LEU . 53.4 p -70.23 -38.76 75.29 Favored 'General case' 0 N--CA 1.487 1.411 0 O-C-N 121.61 -0.681 . . . . 0.0 109.358 179.495 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 42' ' ' HIS . . . . . . . . . . . . . 79.0 m-70 -68.25 -41.56 80.96 Favored 'General case' 0 N--CA 1.488 1.441 0 O-C-N 121.209 -0.932 . . . . 0.0 109.852 -179.41 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 2.0 t80 -72.02 -39.99 68.79 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.348 -0.845 . . . . 0.0 110.354 -179.142 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 44' ' ' LEU . . . . . 0.443 ' O ' ' O ' ' B' ' 41' ' ' SER . 35.2 tp -121.35 147.71 45.33 Favored 'General case' 0 N--CA 1.506 2.332 0 O-C-N 121.37 -0.831 . . . . 0.0 109.528 -179.301 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -71.7 149.84 45.09 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.1 -1.0 . . . . 0.0 108.746 178.988 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -66.99 147.81 52.75 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 120.95 -1.094 . . . . 0.0 109.867 -179.56 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 92.9 mt -93.42 129.9 43.21 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.759 0 O-C-N 121.502 -0.749 . . . . 0.0 109.613 -179.594 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 57.4 mtpt -99.97 -16.49 17.93 Favored 'General case' 0 N--CA 1.496 1.862 0 O-C-N 121.356 -0.84 . . . . 0.0 110.707 -178.979 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 49' ' ' GLU . . . . . 0.435 ' OE1' ' N ' ' B' ' 49' ' ' GLU . 52.0 mp0 -110.06 130.19 55.57 Favored 'General case' 0 N--CA 1.503 2.206 0 O-C-N 121.281 -0.887 . . . . 0.0 110.438 -179.692 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 94.4 mt-30 -70.39 -26.74 63.85 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.654 -0.654 . . . . 0.0 109.609 179.3 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -59.94 -40.07 87.67 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.158 -0.964 . . . . 0.0 109.889 -178.525 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 58.7 t -60.3 -43.27 93.21 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.571 0 O-C-N 121.006 -1.058 . . . . 0.0 109.008 179.298 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 73.9 t -60.81 -41.05 87.11 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.581 0 O-C-N 121.239 -0.913 . . . . 0.0 109.4 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 7.4 t70 -59.98 -50.02 75.38 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.239 -0.913 . . . . 0.0 110.837 -179.293 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 9.0 mtmp? -61.53 -40.07 93.34 Favored 'General case' 0 C--N 1.303 -1.456 0 O-C-N 120.913 -1.117 . . . . 0.0 109.308 -179.126 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 55.5 t -62.35 -40.38 87.68 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.527 0 O-C-N 121.264 -0.898 . . . . 0.0 109.535 179.812 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 57' ' ' MET . . . . . . . . . . . . . 49.8 tpp -60.14 -43.43 95.72 Favored 'General case' 0 N--CA 1.494 1.749 0 O-C-N 121.236 -0.915 . . . . 0.0 109.708 -179.649 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -60.52 -40.46 91.52 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.094 -1.004 . . . . 0.0 110.27 -179.49 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 92.7 m -62.03 -42.71 99.46 Favored 'General case' 0 C--N 1.301 -1.503 0 O-C-N 121.364 -0.835 . . . . 0.0 109.796 -179.091 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 60' ' ' LEU . . . . . 0.465 ' O ' ' N ' ' B' ' 62' ' ' GLU . 30.8 mt -82.0 -12.31 58.39 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.254 -0.904 . . . . 0.0 110.739 -179.693 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 99.5 m-20 -70.51 51.65 0.13 Allowed 'General case' 0 N--CA 1.492 1.665 0 O-C-N 120.793 -1.192 . . . . 0.0 109.586 -179.46 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 62' ' ' GLU . . . . . 0.465 ' N ' ' O ' ' B' ' 60' ' ' LEU . 76.6 mm-40 -61.97 -40.02 94.16 Favored 'General case' 0 N--CA 1.487 1.422 0 O-C-N 121.299 -0.876 . . . . 0.0 109.543 179.908 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 41.9 p-10 -82.47 -9.26 59.5 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 121.029 -1.044 . . . . 0.0 110.049 -179.464 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 65.21 30.49 77.94 Favored Glycine 0 N--CA 1.492 2.421 0 C-N-CA 119.805 -1.188 . . . . 0.0 110.302 179.195 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 65' ' ' ASP . . . . . 0.434 ' OD2' ' O ' ' B' ' 67' ' ' GLU . 32.2 p-10 -83.6 -9.87 58.62 Favored 'General case' 0 N--CA 1.494 1.772 0 O-C-N 121.02 -1.282 . . . . 0.0 109.971 -179.87 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 73.02 6.84 69.17 Favored Glycine 0 N--CA 1.492 2.423 0 N-CA-C 110.184 -1.166 . . . . 0.0 110.184 179.395 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 67' ' ' GLU . . . . . 0.434 ' O ' ' OD2' ' B' ' 65' ' ' ASP . 16.2 pt-20 -148.27 160.25 43.15 Favored 'General case' 0 N--CA 1.495 1.814 0 O-C-N 120.879 -1.366 . . . . 0.0 109.728 -179.723 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 68' ' ' CYS . . . . . . . . . . . . . 34.4 t -99.57 113.82 26.46 Favored 'General case' 0 N--CA 1.499 2.019 0 O-C-N 121.239 -0.913 . . . . 0.0 109.387 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 70.6 m-20 -98.05 -178.05 3.94 Favored 'General case' 0 N--CA 1.499 1.994 0 O-C-N 121.267 -0.896 . . . . 0.0 109.998 -179.702 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 62.7 t80 -59.97 -45.2 93.44 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.488 -0.757 . . . . 0.0 109.988 -179.616 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 12.5 pt20 -59.98 -47.15 87.0 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 120.905 -1.122 . . . . 0.0 108.443 179.669 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 80.8 tt0 -64.59 -35.94 82.64 Favored 'General case' 0 C--N 1.301 -1.508 0 O-C-N 121.523 -0.736 . . . . 0.0 109.239 178.845 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 73' ' ' PHE . . . . . . . . . . . . . 65.0 t80 -59.92 -42.35 93.73 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 121.264 -0.898 . . . . 0.0 109.698 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 74' ' ' MET . . . . . . . . . . . . . 11.1 tpt -59.94 -40.15 87.99 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.155 -0.966 . . . . 0.0 109.182 179.765 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -60.09 -35.75 75.89 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.404 -0.81 . . . . 0.0 109.743 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 13.3 t80 -59.97 -47.94 83.74 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.22 -0.925 . . . . 0.0 108.908 -179.32 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 77' ' ' VAL . . . . . . . . . . . . . 96.0 t -65.06 -40.75 90.0 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.666 0 O-C-N 121.307 -0.87 . . . . 0.0 109.441 179.941 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 78' ' ' SER . . . . . 0.425 ' O ' HG23 ' B' ' 82' ' ' THR . 77.9 p -60.64 -36.17 78.01 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.505 -0.747 . . . . 0.0 109.728 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 79' ' ' MET . . . . . . . . . . . . . 28.2 ttt -60.05 -40.18 88.56 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.3 -0.875 . . . . 0.0 109.772 -178.782 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 54.5 t -68.41 -40.02 81.67 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.487 0 O-C-N 121.127 -0.983 . . . . 0.0 109.083 179.853 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 68.9 p -69.74 -40.68 76.03 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.271 -0.893 . . . . 0.0 110.098 -179.884 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 82' ' ' THR . . . . . 0.425 HG23 ' O ' ' B' ' 78' ' ' SER . 39.9 p -63.92 -39.65 94.65 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.155 -0.966 . . . . 0.0 109.261 179.864 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -68.52 -27.81 66.44 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.324 -0.86 . . . . 0.0 109.728 -179.812 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 84' ' ' CYS . . . . . . . . . . . . . 52.8 t -46.48 107.9 0.12 Allowed 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.277 -0.89 . . . . 0.0 109.485 -179.919 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 85' ' ' HIS . . . . . . . . . . . . . 7.1 t60 -139.41 113.99 9.18 Favored 'General case' 0 N--CA 1.496 1.848 0 O-C-N 121.272 -0.893 . . . . 0.0 108.897 179.896 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 21.5 tp10 65.61 22.27 11.7 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.556 -0.715 . . . . 0.0 109.345 -179.617 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 87' ' ' PHE . . . . . 0.42 ' O ' ' C ' ' B' ' 88' ' ' PHE . 2.6 m-85 -90.03 -80.72 0.31 Allowed 'General case' 0 N--CA 1.498 1.934 0 O-C-N 121.023 -1.048 . . . . 0.0 108.54 179.445 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 88' ' ' PHE . . . . . 0.42 ' C ' ' O ' ' B' ' 87' ' ' PHE . 94.9 m-85 37.45 93.1 0.01 OUTLIER 'General case' 0 N--CA 1.496 1.837 0 O-C-N 121.82 -0.55 . . . . 0.0 110.899 179.256 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -61.59 129.76 42.66 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.197 -0.94 . . . . 0.0 109.4 -179.804 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 90' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER 49.0 -130.61 1.86 Allowed 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.294 -0.879 . . . . 0.0 110.087 179.872 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 88.2 tt0 . . . . . 0 N--CA 1.497 1.878 0 CA-C-O 117.967 -1.016 . . . . 0.0 109.12 -179.867 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 92' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 93' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' B' B ' 92' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' B' B ' 93' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 14.9 mmt . . . . . 0 N--CA 1.487 1.397 0 CA-C-O 121.38 0.61 . . . . 0.0 109.568 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 22.6 t -145.21 150.72 37.21 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.415 -0.803 . . . . 0.0 109.488 -179.739 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 39.7 mt-10 -69.86 -28.9 66.04 Favored 'General case' 0 C--N 1.302 -1.49 0 O-C-N 121.575 -0.703 . . . . 0.0 109.977 179.173 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 66.2 tp -59.79 -49.79 76.35 Favored 'General case' 0 N--CA 1.496 1.835 0 O-C-N 121.315 -0.866 . . . . 0.0 109.199 -179.676 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 53.6 tp10 -62.06 -40.57 96.24 Favored 'General case' 0 C--N 1.295 -1.785 0 O-C-N 120.828 -1.17 . . . . 0.0 109.28 179.283 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 2.2 tpmt? -60.16 -42.69 95.48 Favored 'General case' 0 N--CA 1.488 1.449 0 O-C-N 121.203 -0.936 . . . . 0.0 109.916 -179.919 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -61.31 -37.81 84.58 Favored 'General case' 0 C--N 1.299 -1.602 0 O-C-N 121.091 -1.006 . . . . 0.0 109.234 179.797 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 56.6 ttm -60.83 -47.6 85.61 Favored 'General case' 0 N--CA 1.488 1.464 0 O-C-N 121.444 -0.785 . . . . 0.0 109.547 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 73.8 t -63.75 -42.8 97.17 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.857 0 O-C-N 121.433 -0.792 . . . . 0.0 109.916 -179.813 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -63.05 -39.97 96.32 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.536 -0.728 . . . . 0.0 109.617 -179.162 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 56.5 tp -59.98 -45.79 91.55 Favored 'General case' 0 C--N 1.302 -1.466 0 O-C-N 121.126 -0.984 . . . . 0.0 109.336 -179.496 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 96.4 mt -64.71 -40.98 90.93 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.906 0 O-C-N 121.256 -0.902 . . . . 0.0 110.209 -179.82 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 19.7 t0 -60.42 -44.16 96.03 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 121.282 -0.886 . . . . 0.0 110.585 -178.807 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 54.7 t -61.24 -47.62 92.66 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.489 0 O-C-N 121.066 -1.021 . . . . 0.0 109.714 -179.214 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 63.5 t80 -61.28 -49.87 75.29 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.001 -1.062 . . . . 0.0 109.38 -179.704 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' HIS . . . . . 0.448 ' O ' ' N ' ' A' ' 19' ' ' GLY . 86.7 t60 -62.98 -40.63 98.32 Favored 'General case' 0 N--CA 1.487 1.423 0 O-C-N 121.168 -0.958 . . . . 0.0 109.6 179.496 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 27.7 tp60 -62.95 -51.83 65.37 Favored 'General case' 0 N--CA 1.493 1.718 0 O-C-N 121.234 -0.916 . . . . 0.0 110.514 -178.609 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 48.4 t80 -66.33 -48.68 69.49 Favored 'General case' 0 N--CA 1.488 1.426 0 O-C-N 120.822 -1.174 . . . . 0.0 109.528 -179.892 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' SER . . . . . 0.424 ' O ' ' O ' ' A' ' 21' ' ' GLU . 91.7 p -67.32 -39.61 85.88 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.454 -0.779 . . . . 0.0 109.893 -179.939 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 19' ' ' GLY . . . . . 0.448 ' N ' ' O ' ' A' ' 15' ' ' HIS . . . -64.25 -48.52 73.76 Favored Glycine 0 N--CA 1.489 2.221 0 C-N-CA 119.746 -1.216 . . . . 0.0 111.16 -178.903 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -61.66 -41.92 98.2 Favored 'General case' 0 N--CA 1.497 1.879 0 O-C-N 120.947 -1.326 . . . . 0.0 110.376 -178.661 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.424 ' O ' ' O ' ' A' ' 18' ' ' SER . 96.1 mt-10 -103.95 130.67 51.59 Favored 'General case' 0 N--CA 1.504 2.245 0 O-C-N 121.038 -1.039 . . . . 0.0 110.103 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 80.36 -15.81 16.3 Favored Glycine 0 N--CA 1.49 2.296 0 N-CA-C 110.373 -1.091 . . . . 0.0 110.373 179.271 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 89.7 m-20 51.92 51.13 17.12 Favored 'General case' 0 N--CA 1.497 1.901 0 O-C-N 120.999 -1.295 . . . . 0.0 109.826 179.916 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' LYS . . . . . 0.412 ' HG3' ' H ' ' A' ' 25' ' ' HIS . 5.3 tptm -165.01 -173.95 3.12 Favored 'General case' 0 N--CA 1.495 1.778 0 O-C-N 120.976 -1.077 . . . . 0.0 109.186 -179.688 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 25' ' ' HIS . . . . . 0.412 ' H ' ' HG3' ' A' ' 24' ' ' LYS . 45.5 m80 -109.1 26.56 10.48 Favored 'General case' 0 N--CA 1.501 2.121 0 O-C-N 121.176 -0.952 . . . . 0.0 110.788 -178.582 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 22.1 pttp -130.08 154.14 47.75 Favored 'General case' 0 N--CA 1.501 2.08 0 O-C-N 121.099 -1.001 . . . . 0.0 108.881 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 38.3 mt -126.07 141.12 52.08 Favored 'General case' 0 N--CA 1.501 2.088 0 O-C-N 121.266 -0.896 . . . . 0.0 109.669 -179.071 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -96.41 -179.81 4.76 Favored 'General case' 0 N--CA 1.502 2.145 0 O-C-N 121.184 -0.947 . . . . 0.0 109.373 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 12.0 ttmm -60.15 -44.4 95.0 Favored 'General case' 0 N--CA 1.495 1.803 0 O-C-N 121.454 -0.779 . . . . 0.0 111.278 -178.558 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 73.3 m -60.05 -41.73 92.93 Favored 'General case' 0 N--CA 1.497 1.892 0 O-C-N 120.371 -1.456 . . . . 0.0 109.99 -179.085 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -70.5 -40.25 73.66 Favored 'General case' 0 N--CA 1.496 1.863 0 O-C-N 121.331 -0.856 . . . . 0.0 110.775 -179.568 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.64 HD13 ' C ' ' A' ' 32' ' ' LEU . 2.9 tm? -60.16 -41.1 92.07 Favored 'General case' 0 N--CA 1.495 1.824 0 O-C-N 121.228 -0.92 . . . . 0.0 109.691 -179.103 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 81.2 tttt -59.76 -42.41 93.22 Favored 'General case' 0 C--N 1.304 -1.38 0 O-C-N 120.231 -1.543 . . . . 0.0 108.291 178.397 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 79.4 mm-40 -65.98 -38.53 88.78 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.479 -0.763 . . . . 0.0 110.22 -179.553 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.517 HD13 ' O ' ' A' ' 35' ' ' LEU . 0.2 OUTLIER -57.89 -46.85 84.27 Favored 'General case' 0 N--CA 1.497 1.901 0 O-C-N 121.381 -0.825 . . . . 0.0 110.517 -178.597 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 96.6 mt -60.17 -49.48 83.94 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.88 0 O-C-N 120.641 -1.287 . . . . 0.0 109.67 -179.026 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 86.3 m-20 -73.92 -27.23 60.92 Favored 'General case' 0 N--CA 1.488 1.427 0 O-C-N 121.168 -0.958 . . . . 0.0 109.979 179.587 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 11.0 t-20 -60.42 -48.24 82.6 Favored 'General case' 0 N--CA 1.497 1.897 0 O-C-N 120.916 -1.115 . . . . 0.0 111.809 -178.529 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 42.1 mt-10 -120.05 -27.8 5.26 Favored 'General case' 0 N--CA 1.505 2.304 0 O-C-N 121.134 -0.979 . . . . 0.0 111.475 -177.609 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 75.1 mt -103.81 52.57 0.76 Allowed 'General case' 0 N--CA 1.501 2.117 0 O-C-N 121.062 -1.024 . . . . 0.0 110.117 -178.462 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 41' ' ' SER . . . . . 0.491 ' O ' ' O ' ' A' ' 44' ' ' LEU . 21.7 p -94.85 -54.63 3.4 Favored 'General case' 0 N--CA 1.5 2.061 0 O-C-N 121.146 -0.971 . . . . 0.0 110.226 179.9 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 84.0 t60 -61.07 -46.7 89.58 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 120.87 -1.144 . . . . 0.0 109.627 -179.506 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 27.0 m-85 -62.83 -40.91 98.85 Favored 'General case' 0 C--N 1.3 -1.57 0 O-C-N 121.184 -0.947 . . . . 0.0 110.381 -179.223 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.491 ' O ' ' O ' ' A' ' 41' ' ' SER . 87.8 mt -111.97 125.1 53.69 Favored 'General case' 0 N--CA 1.502 2.148 0 O-C-N 121.519 -0.738 . . . . 0.0 109.53 -179.517 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 45' ' ' GLU . . . . . 0.43 ' N ' ' OE2' ' A' ' 46' ' ' GLU . 85.3 tt0 -144.42 77.26 1.53 Allowed 'General case' 0 N--CA 1.495 1.782 0 CA-C-O 121.986 0.898 . . . . 0.0 109.061 179.207 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.479 ' N ' ' CD ' ' A' ' 46' ' ' GLU . 1.3 pm0 -160.39 9.37 0.1 Allowed 'General case' 0 C--N 1.301 -1.533 0 O-C-N 121.05 -1.031 . . . . 0.0 109.13 179.947 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 82.5 mt -96.14 111.02 25.55 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.871 0 O-C-N 121.279 -0.888 . . . . 0.0 108.866 179.722 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 60.2 tttm -125.85 -14.87 6.07 Favored 'General case' 0 N--CA 1.496 1.847 0 N-CA-C 108.879 -0.786 . . . . 0.0 108.879 179.815 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 95.5 mt-10 -120.57 141.11 50.59 Favored 'General case' 0 N--CA 1.5 2.042 0 O-C-N 121.444 -0.785 . . . . 0.0 110.042 -179.174 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -68.01 -20.84 65.05 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.548 -0.72 . . . . 0.0 109.193 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -59.87 -40.23 87.95 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.093 -1.004 . . . . 0.0 108.956 179.43 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 70.9 t -60.02 -40.89 84.42 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.659 0 O-C-N 121.178 -0.951 . . . . 0.0 109.547 -179.587 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 54.1 t -61.18 -42.86 94.99 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.515 0 O-C-N 120.869 -1.144 . . . . 0.0 109.76 -179.52 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 90.3 m-20 -60.75 -43.05 98.43 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.401 -0.812 . . . . 0.0 109.984 -179.521 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 37.5 ttpt -61.34 -42.31 98.48 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.25 -0.906 . . . . 0.0 108.815 179.296 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 54.6 t -60.96 -40.64 86.14 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.946 0 O-C-N 121.233 -0.917 . . . . 0.0 109.776 179.773 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 81.7 mmm -61.7 -40.48 95.14 Favored 'General case' 0 C--N 1.299 -1.616 0 O-C-N 121.73 -0.606 . . . . 0.0 110.457 -179.282 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 86.5 mt-10 -61.91 -37.89 86.35 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 120.898 -1.126 . . . . 0.0 110.757 -179.698 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 88.2 m -72.53 -47.07 51.39 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 120.653 -1.28 . . . . 0.0 111.074 -178.222 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 2.2 pp -77.95 -40.1 40.51 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 120.956 -1.09 . . . . 0.0 111.053 -178.172 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 61' ' ' ASP . . . . . 0.403 ' CG ' ' H ' ' A' ' 64' ' ' GLY . 53.9 t0 -80.63 96.77 6.96 Favored 'General case' 0 N--CA 1.497 1.909 0 O-C-N 120.772 -1.205 . . . . 0.0 110.715 -179.461 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 62' ' ' GLU . . . . . 0.482 ' OE1' ' N ' ' A' ' 62' ' ' GLU . 54.1 mp0 -64.81 -39.91 94.36 Favored 'General case' 0 N--CA 1.496 1.836 0 O-C-N 121.166 -0.959 . . . . 0.0 108.974 178.632 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 95.0 m-20 -65.55 -43.69 89.13 Favored 'General case' 0 N--CA 1.503 2.188 0 O-C-N 121.002 -1.061 . . . . 0.0 109.955 -179.727 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 64' ' ' GLY . . . . . 0.403 ' H ' ' CG ' ' A' ' 61' ' ' ASP . . . 71.96 32.99 62.97 Favored Glycine 0 N--CA 1.492 2.387 0 N-CA-C 108.443 -1.863 . . . . 0.0 108.443 -178.745 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 65' ' ' ASP . . . . . 0.421 ' OD1' ' N ' ' A' ' 65' ' ' ASP . 39.0 p-10 -88.78 -2.2 58.47 Favored 'General case' 0 N--CA 1.489 1.475 0 O-C-N 121.376 -1.073 . . . . 0.0 110.036 -179.134 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 88.52 -3.65 85.18 Favored Glycine 0 N--CA 1.492 2.423 0 O-C-N 120.657 -1.277 . . . . 0.0 110.305 179.089 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 72.0 mm-40 -117.29 140.61 49.34 Favored 'General case' 0 N--CA 1.501 2.113 0 O-C-N 121.445 -1.032 . . . . 0.0 109.976 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 62.6 m -94.4 115.43 27.62 Favored 'General case' 0 N--CA 1.497 1.892 0 O-C-N 121.222 -0.924 . . . . 0.0 109.886 -179.701 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 82.3 m-20 -89.42 155.91 19.02 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.325 -0.86 . . . . 0.0 108.916 179.049 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 44.4 t80 -58.91 -44.86 91.36 Favored 'General case' 0 C--N 1.299 -1.597 0 O-C-N 121.448 -0.783 . . . . 0.0 110.01 -179.561 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 11.5 pt20 -60.92 -41.89 97.03 Favored 'General case' 0 N--CA 1.494 1.762 0 O-C-N 120.905 -1.122 . . . . 0.0 109.639 179.823 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 97.8 mt-10 -60.36 -38.64 84.48 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.313 -0.867 . . . . 0.0 109.125 178.983 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 54.8 t80 -60.03 -39.29 85.37 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.287 -0.883 . . . . 0.0 108.833 179.492 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 96.2 mmm -60.96 -39.43 89.52 Favored 'General case' 0 N--CA 1.496 1.837 0 O-C-N 120.542 -1.349 . . . . 0.0 108.842 179.796 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -60.25 -41.65 93.64 Favored 'General case' 0 N--CA 1.496 1.871 0 O-C-N 121.165 -0.959 . . . . 0.0 109.363 179.611 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 49.7 t80 -59.85 -42.38 93.49 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.235 -0.916 . . . . 0.0 109.542 -179.765 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 54.2 t -60.87 -40.13 84.23 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.621 0 O-C-N 121.294 -0.879 . . . . 0.0 109.473 179.812 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 59.6 p -66.96 -40.24 87.45 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 120.923 -1.111 . . . . 0.0 110.305 -179.826 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 57.0 ttp -60.78 -42.51 97.65 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 121.007 -1.058 . . . . 0.0 110.026 -179.133 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 54.3 t -64.89 -42.14 94.04 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.519 0 O-C-N 121.023 -1.048 . . . . 0.0 110.094 -179.507 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 41.3 m -66.8 -40.42 88.08 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.734 -0.604 . . . . 0.0 109.915 -179.408 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 17.1 p -63.7 -39.59 94.68 Favored 'General case' 0 C--N 1.304 -1.4 0 O-C-N 121.036 -1.04 . . . . 0.0 109.247 -179.844 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -67.35 -19.17 65.4 Favored 'General case' 0 N--CA 1.49 1.542 0 N-CA-C 108.789 -0.819 . . . . 0.0 108.789 179.852 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 84' ' ' CYS . . . . . 0.453 ' SG ' ' CD1' ' A' ' 88' ' ' PHE . 6.3 t -56.87 -171.33 0.01 OUTLIER 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.629 -0.669 . . . . 0.0 109.413 179.652 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 85' ' ' HIS . . . . . 0.494 ' CD2' ' O ' ' A' ' 87' ' ' PHE . 8.9 p-80 -134.11 175.91 9.06 Favored 'General case' 0 N--CA 1.502 2.148 0 O-C-N 121.276 -0.89 . . . . 0.0 110.168 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -53.64 -67.86 0.22 Allowed 'General case' 0 N--CA 1.497 1.888 0 O-C-N 121.678 -0.639 . . . . 0.0 111.785 -178.348 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 87' ' ' PHE . . . . . 0.494 ' O ' ' CD2' ' A' ' 85' ' ' HIS . 72.2 m-85 -88.39 114.29 24.86 Favored 'General case' 0 N--CA 1.502 2.148 0 O-C-N 120.934 -1.104 . . . . 0.0 110.619 -178.714 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 88' ' ' PHE . . . . . 0.453 ' CD1' ' SG ' ' A' ' 84' ' ' CYS . 15.9 t80 -95.07 -79.56 0.43 Allowed 'General case' 0 N--CA 1.5 2.054 0 O-C-N 121.304 -0.872 . . . . 0.0 110.267 179.27 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 67.3 mm-40 -119.15 -27.44 5.68 Favored 'General case' 0 N--CA 1.503 2.191 0 O-C-N 121.301 -0.874 . . . . 0.0 109.747 -179.799 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 90' ' ' HIS . . . . . 0.648 ' H ' ' CD2' ' A' ' 90' ' ' HIS . 0.0 OUTLIER -69.06 152.28 45.4 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.19 -0.944 . . . . 0.0 109.07 -179.736 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 65.6 mm-40 . . . . . 0 N--CA 1.492 1.673 0 CA-C-O 117.966 -1.016 . . . . 0.0 109.483 -179.324 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' B' B ' 0' ' ' MET . . . . . . . . . . . . . 12.3 mmt . . . . . 0 N--CA 1.488 1.465 0 N-CA-C 109.123 -0.695 . . . . 0.0 109.123 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 36.5 t -146.12 149.83 34.75 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.229 -0.92 . . . . 0.0 109.621 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 42.1 mt-10 -69.67 -27.88 65.4 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.611 -0.681 . . . . 0.0 109.916 179.753 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 61.0 tp -59.67 -49.77 76.47 Favored 'General case' 0 N--CA 1.502 2.139 0 O-C-N 121.274 -0.891 . . . . 0.0 109.357 -179.792 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 52.7 tp10 -62.76 -40.31 96.89 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.11 -0.994 . . . . 0.0 109.459 179.457 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 2.3 tpmt? -60.69 -44.71 96.2 Favored 'General case' 0 N--CA 1.496 1.859 0 O-C-N 121.464 -0.772 . . . . 0.0 109.133 179.623 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -59.86 -38.39 82.0 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.223 -0.923 . . . . 0.0 109.067 179.353 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 7' ' ' MET . . . . . . . . . . . . . 54.5 ttm -61.07 -46.16 91.8 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.105 -0.997 . . . . 0.0 109.972 179.645 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 70.4 t -64.09 -44.21 97.64 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.976 0 O-C-N 121.285 -0.884 . . . . 0.0 109.933 -179.588 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.99 -41.05 95.7 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 121.555 -0.716 . . . . 0.0 109.979 -179.916 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 63.3 tp -60.05 -44.91 94.35 Favored 'General case' 0 N--CA 1.485 1.307 0 O-C-N 120.917 -1.114 . . . . 0.0 109.476 -179.734 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 96.2 mt -65.88 -41.22 89.57 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.562 0 O-C-N 120.806 -1.184 . . . . 0.0 110.263 -179.687 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 19.2 t0 -60.22 -43.46 95.98 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.034 -1.041 . . . . 0.0 110.581 -178.544 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 61.4 t -61.34 -47.59 92.75 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.535 0 O-C-N 120.949 -1.094 . . . . 0.0 109.693 -179.569 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 14' ' ' PHE . . . . . . . . . . . . . 67.8 t80 -60.52 -49.91 75.67 Favored 'General case' 0 C--N 1.304 -1.392 0 O-C-N 121.082 -1.012 . . . . 0.0 109.204 179.922 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 15' ' ' HIS . . . . . 0.445 ' O ' ' N ' ' B' ' 19' ' ' GLY . 86.6 t60 -63.02 -40.93 99.22 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.181 -0.949 . . . . 0.0 110.114 179.665 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 27.6 tp60 -62.42 -52.44 63.55 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.446 -0.784 . . . . 0.0 110.008 -178.517 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 49.6 t80 -66.05 -47.84 73.03 Favored 'General case' 0 C--N 1.303 -1.422 0 O-C-N 121.095 -1.003 . . . . 0.0 109.565 -179.788 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 18' ' ' SER . . . . . 0.431 ' O ' ' O ' ' B' ' 21' ' ' GLU . 95.6 p -68.05 -39.94 82.94 Favored 'General case' 0 N--CA 1.487 1.397 0 O-C-N 121.313 -0.867 . . . . 0.0 110.067 -179.451 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 19' ' ' GLY . . . . . 0.445 ' N ' ' O ' ' B' ' 15' ' ' HIS . . . -65.5 -47.79 74.79 Favored Glycine 0 N--CA 1.486 2.032 0 C-N-CA 119.82 -1.181 . . . . 0.0 111.038 -178.681 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -61.26 -41.8 97.53 Favored 'General case' 0 N--CA 1.494 1.762 0 O-C-N 121.0 -1.294 . . . . 0.0 110.158 -178.382 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 21' ' ' GLU . . . . . 0.431 ' O ' ' O ' ' B' ' 18' ' ' SER . 94.9 mt-10 -104.75 129.89 52.91 Favored 'General case' 0 N--CA 1.503 2.19 0 O-C-N 121.156 -0.965 . . . . 0.0 109.924 -179.801 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . 81.7 -15.91 22.86 Favored Glycine 0 N--CA 1.489 2.228 0 C-N-CA 120.016 -1.087 . . . . 0.0 110.709 179.225 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 88.6 m-20 51.59 49.85 20.02 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 120.973 -1.31 . . . . 0.0 110.166 179.764 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 24' ' ' LYS . . . . . 0.405 ' HG3' ' H ' ' B' ' 25' ' ' HIS . 4.7 tptm -164.69 -175.8 3.99 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 120.981 -1.074 . . . . 0.0 108.999 179.76 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 25' ' ' HIS . . . . . 0.405 ' H ' ' HG3' ' B' ' 24' ' ' LYS . 44.5 m80 -106.02 25.76 10.54 Favored 'General case' 0 N--CA 1.5 2.063 0 O-C-N 121.253 -0.905 . . . . 0.0 111.173 -178.623 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 21.6 pttp -128.9 156.12 44.2 Favored 'General case' 0 N--CA 1.499 2.011 0 O-C-N 121.115 -0.991 . . . . 0.0 109.042 179.797 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 43.6 mt -127.58 141.08 51.73 Favored 'General case' 0 N--CA 1.502 2.161 0 O-C-N 121.64 -0.663 . . . . 0.0 110.015 -178.792 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -96.11 178.71 5.31 Favored 'General case' 0 N--CA 1.499 1.987 0 O-C-N 121.228 -0.92 . . . . 0.0 109.742 179.898 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 29' ' ' LYS . . . . . 0.437 ' HB2' ' HZ3' ' B' ' 29' ' ' LYS . 11.4 ttmm -60.3 -42.5 95.66 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.344 -0.847 . . . . 0.0 111.034 -178.639 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 69.0 m -60.7 -41.87 96.06 Favored 'General case' 0 N--CA 1.496 1.827 0 O-C-N 120.789 -1.194 . . . . 0.0 109.93 -179.267 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -70.62 -40.32 73.23 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.787 -0.571 . . . . 0.0 110.889 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 32' ' ' LEU . . . . . 0.667 ' C ' HD13 ' B' ' 32' ' ' LEU . 2.9 tm? -60.27 -41.26 92.9 Favored 'General case' 0 N--CA 1.499 1.984 0 O-C-N 121.193 -0.942 . . . . 0.0 109.475 -179.139 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 79.4 tttt -59.41 -44.62 92.82 Favored 'General case' 0 N--CA 1.49 1.543 0 N-CA-C 108.067 -1.086 . . . . 0.0 108.067 178.495 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 34' ' ' GLU . . . . . 0.4 ' O ' ' N ' ' B' ' 38' ' ' ASN . 81.6 mm-40 -64.42 -39.75 94.44 Favored 'General case' 0 C--N 1.302 -1.477 0 O-C-N 121.173 -0.954 . . . . 0.0 110.311 -179.62 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 35' ' ' LEU . . . . . 0.54 ' O ' HD13 ' B' ' 35' ' ' LEU . 0.3 OUTLIER -56.45 -48.52 76.87 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 121.354 -0.842 . . . . 0.0 110.605 -178.168 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 96.5 mt -59.36 -48.7 86.18 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.969 0 O-C-N 120.656 -1.277 . . . . 0.0 109.599 -178.708 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 88.5 m-20 -74.52 -25.87 59.62 Favored 'General case' 0 C--N 1.298 -1.671 0 O-C-N 121.057 -1.027 . . . . 0.0 110.129 179.894 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 38' ' ' ASN . . . . . 0.4 ' N ' ' O ' ' B' ' 34' ' ' GLU . 10.6 t-20 -61.28 -49.64 76.24 Favored 'General case' 0 N--CA 1.495 1.812 0 O-C-N 121.135 -0.978 . . . . 0.0 111.734 -178.52 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 39.4 mt-10 -118.24 -28.96 5.67 Favored 'General case' 0 N--CA 1.502 2.149 0 O-C-N 121.325 -0.859 . . . . 0.0 111.483 -177.909 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 77.7 mt -102.14 52.06 0.82 Allowed 'General case' 0 N--CA 1.502 2.164 0 O-C-N 121.106 -0.997 . . . . 0.0 110.399 -178.276 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 41' ' ' SER . . . . . 0.451 ' O ' ' O ' ' B' ' 44' ' ' LEU . 11.9 p -94.84 -55.74 3.0 Favored 'General case' 0 N--CA 1.499 2.018 0 O-C-N 120.93 -1.106 . . . . 0.0 110.338 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 42' ' ' HIS . . . . . . . . . . . . . 84.0 t60 -59.99 -47.26 86.56 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 120.782 -1.199 . . . . 0.0 109.561 -179.3 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 27.8 m-85 -62.11 -40.08 94.7 Favored 'General case' 0 N--CA 1.495 1.777 0 O-C-N 121.211 -0.931 . . . . 0.0 110.295 -179.275 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 44' ' ' LEU . . . . . 0.451 ' O ' ' O ' ' B' ' 41' ' ' SER . 75.2 mt -113.97 124.2 51.58 Favored 'General case' 0 N--CA 1.502 2.151 0 O-C-N 121.284 -0.885 . . . . 0.0 109.638 -179.494 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 45' ' ' GLU . . . . . 0.464 ' N ' ' OE2' ' B' ' 46' ' ' GLU . 85.4 tt0 -142.82 77.66 1.58 Allowed 'General case' 0 N--CA 1.494 1.772 0 O-C-N 121.425 -0.797 . . . . 0.0 109.239 179.286 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 46' ' ' GLU . . . . . 0.508 ' N ' ' CD ' ' B' ' 46' ' ' GLU . 1.4 pm0 -160.27 8.37 0.09 Allowed 'General case' 0 N--CA 1.488 1.445 0 O-C-N 121.196 -0.94 . . . . 0.0 109.647 179.874 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 73.9 mt -94.56 114.61 31.51 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.601 0 N-CA-C 108.571 -0.9 . . . . 0.0 108.571 179.673 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 63.0 tttm -129.78 -14.53 4.03 Favored 'General case' 0 N--CA 1.501 2.082 0 N-CA-C 108.63 -0.878 . . . . 0.0 108.63 179.718 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 94.3 mt-10 -119.96 140.81 50.36 Favored 'General case' 0 N--CA 1.496 1.855 0 O-C-N 121.815 -0.553 . . . . 0.0 109.984 -179.335 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -68.5 -19.63 64.54 Favored 'General case' 0 N--CA 1.495 1.783 0 N-CA-C 108.808 -0.812 . . . . 0.0 108.808 179.625 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -60.31 -40.67 91.38 Favored 'General case' 0 C--N 1.301 -1.522 0 O-C-N 121.25 -0.906 . . . . 0.0 109.058 179.214 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 73.8 t -59.94 -41.51 86.26 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.653 0 O-C-N 121.001 -1.062 . . . . 0.0 109.504 -179.359 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 47.3 t -60.14 -44.04 94.35 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.533 0 O-C-N 121.2 -0.937 . . . . 0.0 109.843 -179.611 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 91.2 m-20 -60.86 -42.01 97.03 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.273 -0.892 . . . . 0.0 110.055 -179.6 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 38.0 ttpt -62.72 -39.98 95.76 Favored 'General case' 0 N--CA 1.497 1.889 0 O-C-N 121.267 -0.895 . . . . 0.0 109.111 179.516 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 55.7 t -63.17 -39.94 87.17 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.47 0 O-C-N 121.082 -1.011 . . . . 0.0 109.195 179.555 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 57' ' ' MET . . . . . . . . . . . . . 79.5 mmm -61.83 -40.07 93.99 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.285 -0.884 . . . . 0.0 110.621 -179.656 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 83.2 mt-10 -61.21 -39.64 91.01 Favored 'General case' 0 N--CA 1.494 1.743 0 O-C-N 121.072 -1.017 . . . . 0.0 110.619 -179.354 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 87.7 m -71.86 -45.64 60.68 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.0 -1.062 . . . . 0.0 111.671 -178.26 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 2.4 pp -79.64 -38.81 32.92 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 120.503 -1.373 . . . . 0.0 110.75 -178.282 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 53.1 t0 -80.89 97.15 7.28 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.131 -0.98 . . . . 0.0 110.541 -179.213 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 62' ' ' GLU . . . . . 0.483 ' OE1' ' N ' ' B' ' 62' ' ' GLU . 57.0 mp0 -65.61 -39.86 92.0 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.024 -1.048 . . . . 0.0 109.415 179.25 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 95.2 m-20 -65.71 -41.42 92.33 Favored 'General case' 0 N--CA 1.496 1.858 0 O-C-N 121.075 -1.016 . . . . 0.0 110.624 179.774 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 70.85 30.86 67.66 Favored Glycine 0 N--CA 1.495 2.586 0 N-CA-C 108.967 -1.653 . . . . 0.0 108.967 -178.733 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 41.6 p-10 -86.72 -3.63 59.07 Favored 'General case' 0 N--CA 1.495 1.79 0 O-C-N 121.267 -1.137 . . . . 0.0 110.798 -179.06 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 89.8 -4.01 83.29 Favored Glycine 0 N--CA 1.498 2.789 0 O-C-N 121.09 -1.006 . . . . 0.0 110.641 179.561 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 73.7 mm-40 -116.68 141.93 47.57 Favored 'General case' 0 N--CA 1.503 2.214 0 O-C-N 121.371 -1.076 . . . . 0.0 109.52 -179.506 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 68' ' ' CYS . . . . . . . . . . . . . 56.8 m -96.22 115.33 27.26 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.407 -0.808 . . . . 0.0 109.844 -179.472 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 81.0 m-20 -89.11 157.94 18.13 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.1 -1.0 . . . . 0.0 109.149 179.664 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 44.4 t80 -59.82 -44.9 93.78 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.346 -0.846 . . . . 0.0 109.716 -179.572 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 11.1 pt20 -60.81 -41.67 96.14 Favored 'General case' 0 N--CA 1.494 1.764 0 O-C-N 120.731 -1.23 . . . . 0.0 109.676 -179.805 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -60.38 -38.75 84.91 Favored 'General case' 0 C--N 1.299 -1.587 0 O-C-N 121.369 -0.832 . . . . 0.0 109.352 179.548 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 73' ' ' PHE . . . . . . . . . . . . . 58.7 t80 -60.02 -40.05 87.95 Favored 'General case' 0 C--N 1.303 -1.451 0 O-C-N 121.088 -1.008 . . . . 0.0 108.828 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 74' ' ' MET . . . . . . . . . . . . . 96.5 mmm -59.84 -40.0 87.05 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 120.721 -1.237 . . . . 0.0 109.193 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -59.93 -41.33 91.54 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.163 -0.96 . . . . 0.0 109.603 179.742 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 50.1 t80 -60.04 -42.68 94.95 Favored 'General case' 0 N--CA 1.487 1.406 0 O-C-N 121.321 -0.862 . . . . 0.0 109.315 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 77' ' ' VAL . . . . . . . . . . . . . 57.2 t -60.97 -39.52 82.41 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.667 0 O-C-N 121.24 -0.912 . . . . 0.0 109.409 179.676 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 78' ' ' SER . . . . . . . . . . . . . 79.9 p -67.23 -40.23 86.32 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 120.914 -1.116 . . . . 0.0 110.032 179.92 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 79' ' ' MET . . . . . . . . . . . . . 56.6 ttp -60.91 -41.9 97.01 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 121.257 -0.902 . . . . 0.0 110.398 -179.274 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 54.0 t -65.72 -42.83 93.38 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.552 0 O-C-N 121.14 -0.975 . . . . 0.0 109.753 -179.315 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 30.4 m -65.79 -40.13 91.66 Favored 'General case' 0 N--CA 1.499 1.987 0 O-C-N 121.272 -0.892 . . . . 0.0 109.975 179.911 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 18.1 p -63.79 -39.77 95.04 Favored 'General case' 0 N--CA 1.487 1.401 0 O-C-N 121.029 -1.044 . . . . 0.0 109.155 -179.812 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -67.49 -17.81 64.82 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.528 -0.733 . . . . 0.0 109.101 179.52 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 84' ' ' CYS . . . . . 0.449 ' SG ' ' CD1' ' B' ' 88' ' ' PHE . 5.9 t -58.81 -171.61 0.01 OUTLIER 'General case' 0 C--N 1.3 -1.547 0 O-C-N 121.532 -0.73 . . . . 0.0 109.173 179.75 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 85' ' ' HIS . . . . . 0.537 ' CD2' ' O ' ' B' ' 87' ' ' PHE . 10.8 p-80 -134.26 173.94 11.06 Favored 'General case' 0 N--CA 1.502 2.137 0 O-C-N 121.412 -0.805 . . . . 0.0 110.229 -179.948 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -51.34 -68.67 0.15 Allowed 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.582 -0.699 . . . . 0.0 111.877 -177.908 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 87' ' ' PHE . . . . . 0.537 ' O ' ' CD2' ' B' ' 85' ' ' HIS . 69.0 m-85 -87.25 116.36 25.28 Favored 'General case' 0 N--CA 1.504 2.231 0 O-C-N 120.664 -1.272 . . . . 0.0 110.864 -178.513 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 88' ' ' PHE . . . . . 0.449 ' CD1' ' SG ' ' B' ' 84' ' ' CYS . 17.0 t80 -97.07 -79.8 0.45 Allowed 'General case' 0 N--CA 1.503 2.205 0 O-C-N 121.036 -1.04 . . . . 0.0 110.418 179.519 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 69.9 mm-40 -117.92 -28.37 5.93 Favored 'General case' 0 N--CA 1.5 2.058 0 O-C-N 121.461 -0.774 . . . . 0.0 109.415 -179.933 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 90' ' ' HIS . . . . . 0.651 ' H ' ' CD2' ' B' ' 90' ' ' HIS . 0.0 OUTLIER -69.55 151.04 46.46 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.337 -0.852 . . . . 0.0 109.38 -179.151 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 65.6 mm-40 . . . . . 0 N--CA 1.493 1.688 0 CA-C-O 118.084 -0.96 . . . . 0.0 109.578 -179.157 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 92' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 93' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' B' B ' 92' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' B' B ' 93' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 0' ' ' MET . . . . . 0.496 ' SD ' ' O ' ' A' ' 0' ' ' MET . 2.5 tmm? . . . . . 0 N--CA 1.491 1.585 0 CA-C-O 121.25 0.548 . . . . 0.0 109.679 . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 17.9 m -148.0 113.4 5.61 Favored 'General case' 0 N--CA 1.497 1.916 0 O-C-N 120.995 -1.066 . . . . 0.0 109.408 179.53 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 54.7 tp10 -60.77 -42.45 97.52 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.291 -0.881 . . . . 0.0 109.665 -179.869 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.521 HD13 ' O ' ' A' ' 3' ' ' LEU . 0.2 OUTLIER -60.48 -42.61 96.64 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.096 -1.002 . . . . 0.0 109.303 -179.369 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 49.2 tp10 -61.26 -42.89 99.41 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.217 -0.927 . . . . 0.0 110.589 -179.238 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 61.6 tttm -60.04 -44.33 94.74 Favored 'General case' 0 N--CA 1.494 1.756 0 O-C-N 121.1 -1.0 . . . . 0.0 110.374 -178.86 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -59.99 -45.21 93.47 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.188 -0.945 . . . . 0.0 109.649 -179.362 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 57.7 tpp -60.09 -46.16 90.5 Favored 'General case' 0 C--N 1.302 -1.487 0 O-C-N 121.404 -0.81 . . . . 0.0 109.591 -179.723 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 84.5 t -69.97 -41.49 79.41 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.518 0 O-C-N 121.253 -0.904 . . . . 0.0 110.541 -178.968 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.05 -40.88 90.95 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.028 -1.045 . . . . 0.0 109.622 -179.524 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.486 HD13 ' O ' ' A' ' 10' ' ' LEU . 0.3 OUTLIER -60.1 -50.92 71.81 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.278 -0.889 . . . . 0.0 109.286 -179.973 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 96.6 mt -69.37 -40.73 80.4 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.651 0 O-C-N 121.119 -0.988 . . . . 0.0 109.754 -179.798 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' ASP . . . . . 0.468 ' O ' ' OE1' ' A' ' 16' ' ' GLN . 8.8 t0 -60.86 -49.8 76.02 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.307 -0.871 . . . . 0.0 110.25 -179.436 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 65.0 t -63.29 -41.84 94.24 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.574 0 O-C-N 120.792 -1.193 . . . . 0.0 109.708 -179.311 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 65.8 t80 -61.43 -48.12 82.65 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.286 -0.884 . . . . 0.0 110.946 -179.798 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 52.6 t-80 -70.68 -48.39 55.03 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.002 -1.061 . . . . 0.0 110.849 -178.97 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' GLN . . . . . 0.494 ' OE1' ' N ' ' A' ' 16' ' ' GLN . 9.2 mp0 -67.78 -42.95 80.87 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.036 -1.04 . . . . 0.0 110.96 -178.799 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 17' ' ' TYR . . . . . 0.71 ' CZ ' ' ND2' ' A' ' 38' ' ' ASN . 38.1 t80 -70.12 -41.53 73.82 Favored 'General case' 0 N--CA 1.494 1.736 0 O-C-N 120.569 -1.332 . . . . 0.0 110.739 -178.861 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 84.9 p -62.42 -39.96 95.01 Favored 'General case' 0 N--CA 1.494 1.748 0 O-C-N 121.166 -0.959 . . . . 0.0 111.056 -178.438 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -80.14 -9.98 86.01 Favored Glycine 0 N--CA 1.493 2.437 0 N-CA-C 109.575 -1.41 . . . . 0.0 109.575 -179.379 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 15.3 tpt180 -60.28 -39.94 88.68 Favored 'General case' 0 C--N 1.301 -1.533 0 O-C-N 121.434 -1.039 . . . . 0.0 109.927 -179.719 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 18.1 tt0 -97.17 1.08 49.42 Favored 'General case' 0 N--CA 1.494 1.763 0 O-C-N 121.325 -0.86 . . . . 0.0 110.115 -178.518 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 82.25 16.34 71.98 Favored Glycine 0 N--CA 1.492 2.426 0 N-CA-C 109.085 -1.606 . . . . 0.0 109.085 -179.7 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 94.8 m-20 -69.98 -16.96 63.27 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.354 -1.086 . . . . 0.0 109.371 179.878 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' LYS . . . . . 0.635 ' O ' ' CG ' ' A' ' 25' ' ' HIS . 43.5 mtmt 57.65 62.5 2.1 Favored 'General case' 0 N--CA 1.498 1.954 0 O-C-N 121.796 -0.565 . . . . 0.0 111.163 179.353 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 25' ' ' HIS . . . . . 0.635 ' CG ' ' O ' ' A' ' 24' ' ' LYS . 16.7 p80 49.74 44.6 24.85 Favored 'General case' 0 N--CA 1.5 2.043 0 O-C-N 121.983 -0.448 . . . . 0.0 111.926 178.635 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.415 ' C ' HD12 ' A' ' 27' ' ' LEU . 54.4 mtmt -140.37 129.38 23.43 Favored 'General case' 0 N--CA 1.503 2.223 0 O-C-N 121.092 -1.005 . . . . 0.0 108.863 177.907 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.458 ' N ' HD12 ' A' ' 27' ' ' LEU . 10.6 mp -101.77 119.62 39.08 Favored 'General case' 0 N--CA 1.502 2.172 0 O-C-N 121.039 -1.038 . . . . 0.0 109.973 -179.306 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 2.1 tppt? -114.78 178.98 4.08 Favored 'General case' 0 N--CA 1.501 2.098 0 N-CA-C 108.623 -0.88 . . . . 0.0 108.623 179.468 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 26.6 tptp -59.94 -40.84 90.32 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 120.978 -1.076 . . . . 0.0 109.91 179.699 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 87.1 p -62.24 -45.48 93.13 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 120.974 -1.079 . . . . 0.0 109.918 -179.69 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 83.1 tt0 -69.64 -39.94 76.82 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.37 -0.831 . . . . 0.0 110.691 -179.315 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 8.7 tt -60.11 -49.19 78.63 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.207 -0.933 . . . . 0.0 110.592 -177.951 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 58.0 tttm -59.93 -43.06 95.18 Favored 'General case' 0 C--N 1.302 -1.496 0 O-C-N 121.052 -1.03 . . . . 0.0 109.037 -178.965 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 80.4 mm-40 -70.0 -34.06 72.83 Favored 'General case' 0 C--N 1.302 -1.49 0 O-C-N 121.349 -0.844 . . . . 0.0 109.406 179.173 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.419 ' HA ' ' ND2' ' A' ' 38' ' ' ASN . 19.2 tp -60.03 -42.98 95.57 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.534 -0.729 . . . . 0.0 110.112 -178.455 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 95.7 mt -64.31 -39.93 87.26 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.65 0 O-C-N 121.064 -1.023 . . . . 0.0 110.187 -179.518 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 37' ' ' ASN . . . . . 0.45 ' O ' ' O ' ' A' ' 38' ' ' ASN . 3.0 m120 -69.12 -19.91 64.05 Favored 'General case' 0 N--CA 1.496 1.86 0 O-C-N 121.073 -1.017 . . . . 0.0 110.473 -179.317 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 38' ' ' ASN . . . . . 0.71 ' ND2' ' CZ ' ' A' ' 17' ' ' TYR . 69.4 m-20 -45.75 -99.17 0.0 OUTLIER 'General case' 0 N--CA 1.494 1.76 0 O-C-N 121.209 -0.932 . . . . 0.0 111.015 -178.905 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 64.3 mm-40 -111.3 -3.28 15.38 Favored 'General case' 0 N--CA 1.496 1.865 0 O-C-N 121.514 -0.741 . . . . 0.0 109.721 -178.866 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.489 ' N ' HD12 ' A' ' 40' ' ' LEU . 10.7 mp -93.14 121.24 34.3 Favored 'General case' 0 N--CA 1.496 1.829 0 O-C-N 121.211 -0.931 . . . . 0.0 109.445 -179.732 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 2.9 t -153.3 -53.88 0.11 Allowed 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.329 -0.857 . . . . 0.0 109.19 179.554 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 94.6 m-70 -69.31 -40.14 77.85 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.608 -0.682 . . . . 0.0 110.726 -179.235 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 43' ' ' PHE . . . . . 0.471 ' CZ ' ' SG ' ' A' ' 84' ' ' CYS . 3.2 t80 -72.18 -43.72 64.12 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.097 -1.002 . . . . 0.0 110.467 -178.168 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -90.31 -77.7 0.39 Allowed 'General case' 0 N--CA 1.499 1.999 0 O-C-N 120.919 -1.113 . . . . 0.0 110.072 -179.693 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 45' ' ' GLU . . . . . 0.441 ' O ' ' C ' ' A' ' 46' ' ' GLU . 27.8 tt0 62.79 -124.85 0.64 Allowed 'General case' 0 N--CA 1.49 1.573 0 N-CA-C 108.196 -1.038 . . . . 0.0 108.196 -178.347 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.441 ' C ' ' O ' ' A' ' 45' ' ' GLU . 9.2 pt-20 36.48 -149.32 0.01 OUTLIER 'General case' 0 N--CA 1.502 2.17 0 O-C-N 121.546 -0.721 . . . . 0.0 110.959 179.332 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.534 HG22 ' O ' ' A' ' 47' ' ' ILE . 41.0 mt 56.38 83.32 0.06 OUTLIER 'Isoleucine or valine' 0 N--CA 1.494 1.753 0 O-C-N 121.222 -0.924 . . . . 0.0 109.066 -179.865 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 25.8 mttm -92.65 -13.27 29.75 Favored 'General case' 0 N--CA 1.494 1.77 0 O-C-N 121.268 -0.895 . . . . 0.0 109.721 -179.216 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -141.32 156.51 45.84 Favored 'General case' 0 N--CA 1.498 1.973 0 O-C-N 121.133 -0.979 . . . . 0.0 109.936 -179.819 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 50' ' ' GLN . . . . . 0.531 ' OE1' ' N ' ' A' ' 50' ' ' GLN . 5.0 mp0 -69.92 -28.9 65.98 Favored 'General case' 0 N--CA 1.492 1.675 0 O-C-N 121.351 -0.843 . . . . 0.0 109.719 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 53.9 tp10 -59.93 -36.41 76.98 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.188 -0.945 . . . . 0.0 109.538 -178.996 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 87.5 t -60.05 -40.16 82.41 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.637 0 O-C-N 120.85 -1.156 . . . . 0.0 109.034 -179.809 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 89.8 t -61.51 -41.34 89.72 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.614 0 O-C-N 120.909 -1.119 . . . . 0.0 108.977 179.751 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 99.4 m-20 -61.12 -40.08 92.41 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.186 -0.946 . . . . 0.0 109.591 179.821 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -63.78 -40.01 95.64 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.29 -0.881 . . . . 0.0 108.971 179.807 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 55.8 t -60.05 -42.68 90.61 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.398 0 O-C-N 121.244 -0.91 . . . . 0.0 108.993 179.669 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 77.3 mmm -61.62 -45.68 93.04 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.227 -0.921 . . . . 0.0 109.88 179.114 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 46.0 mt-10 -69.99 -40.98 74.99 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.194 -0.941 . . . . 0.0 110.376 -179.69 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 94.6 m -70.26 -44.68 67.96 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.153 -0.967 . . . . 0.0 109.988 -179.675 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 51.4 tp -60.1 -50.06 75.18 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.088 -1.007 . . . . 0.0 109.646 -179.721 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 61' ' ' ASP . . . . . 0.428 ' OD1' ' OE1' ' A' ' 72' ' ' GLU . 96.8 m-20 -82.72 109.89 17.29 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.186 -0.946 . . . . 0.0 110.009 -179.72 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 62' ' ' GLU . . . . . 0.452 ' CD ' ' N ' ' A' ' 62' ' ' GLU . 5.4 mp0 -61.62 -39.99 93.25 Favored 'General case' 0 C--N 1.302 -1.468 0 O-C-N 121.473 -0.767 . . . . 0.0 109.093 179.012 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 35.3 p-10 -76.84 -10.01 59.08 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.326 -0.859 . . . . 0.0 109.059 179.857 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 54.11 50.82 53.95 Favored Glycine 0 N--CA 1.491 2.348 0 N-CA-C 110.37 -1.092 . . . . 0.0 110.37 179.104 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 65' ' ' ASP . . . . . 0.433 ' O ' ' OE1' ' A' ' 67' ' ' GLU . 35.4 p-10 -79.65 -12.76 59.81 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.091 -1.24 . . . . 0.0 109.784 -179.862 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 83.51 4.9 88.98 Favored Glycine 0 N--CA 1.494 2.528 0 C-N-CA 120.086 -1.054 . . . . 0.0 110.47 179.149 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.433 ' OE1' ' O ' ' A' ' 65' ' ' ASP . 24.5 mp0 -138.15 153.13 49.23 Favored 'General case' 0 N--CA 1.499 1.99 0 O-C-N 121.092 -1.24 . . . . 0.0 109.205 179.558 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -118.17 122.68 43.65 Favored 'General case' 0 N--CA 1.5 2.031 0 O-C-N 121.479 -0.763 . . . . 0.0 109.72 -179.712 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 94.3 m-20 -90.03 177.91 6.34 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.526 -0.734 . . . . 0.0 109.23 179.358 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 56.7 t80 -59.99 -48.14 82.95 Favored 'General case' 0 C--N 1.302 -1.497 0 O-C-N 121.581 -0.699 . . . . 0.0 109.843 179.901 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 26.6 mm100 -59.94 -40.39 88.79 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.024 -1.047 . . . . 0.0 109.596 -179.88 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 72' ' ' GLU . . . . . 0.428 ' OE1' ' OD1' ' A' ' 61' ' ' ASP . 44.0 mt-10 -68.71 -39.92 80.24 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.136 -0.977 . . . . 0.0 109.057 179.233 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 93.9 t80 -59.94 -41.36 91.64 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.405 -0.81 . . . . 0.0 109.633 -179.886 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 94.2 mmm -60.09 -39.99 88.03 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.252 -0.905 . . . . 0.0 109.433 179.63 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -59.96 -40.01 87.61 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.279 -0.888 . . . . 0.0 110.144 -179.396 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 70.2 t80 -60.11 -40.54 90.05 Favored 'General case' 0 C--N 1.301 -1.541 0 O-C-N 121.192 -0.943 . . . . 0.0 110.891 -179.434 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 53.8 t -61.17 -41.01 87.8 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.723 0 O-C-N 120.871 -1.143 . . . . 0.0 109.555 -179.644 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 76.7 p -67.45 -40.01 85.4 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.182 -0.948 . . . . 0.0 110.293 -179.819 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 98.2 mtp -59.97 -43.98 94.73 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.042 -1.036 . . . . 0.0 109.977 -179.229 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 79.3 t -70.03 -40.15 78.16 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.484 0 O-C-N 121.115 -0.991 . . . . 0.0 109.558 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 86.4 m -61.0 -40.56 93.98 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 121.304 -0.873 . . . . 0.0 109.945 -179.403 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 90.0 m -60.44 -42.15 95.52 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.093 -1.004 . . . . 0.0 110.336 -178.412 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -62.56 -42.22 99.4 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 120.906 -1.121 . . . . 0.0 109.084 179.835 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 84' ' ' CYS . . . . . 0.471 ' SG ' ' CZ ' ' A' ' 43' ' ' PHE . 14.7 m -80.34 133.06 35.89 Favored 'General case' 0 N--CA 1.488 1.462 0 O-C-N 121.438 -0.789 . . . . 0.0 109.001 179.662 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 85' ' ' HIS . . . . . 0.486 ' O ' ' CB ' ' A' ' 86' ' ' GLU . 54.0 p-80 -158.54 -166.23 1.85 Allowed 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.206 -0.934 . . . . 0.0 109.861 -179.543 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 86' ' ' GLU . . . . . 0.49 ' C ' ' CG ' ' A' ' 87' ' ' PHE . 1.3 tm-20 79.04 20.3 0.73 Allowed 'General case' 0 N--CA 1.495 1.803 0 N-CA-C 109.043 -0.725 . . . . 0.0 109.043 -179.6 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 87' ' ' PHE . . . . . 0.493 ' CD1' ' N ' ' A' ' 87' ' ' PHE . 0.1 OUTLIER 40.29 89.93 0.01 OUTLIER 'General case' 0 N--CA 1.499 1.978 0 O-C-N 121.595 -0.691 . . . . 0.0 109.189 -179.942 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 37.1 t80 -53.47 120.85 6.62 Favored 'General case' 0 C--N 1.301 -1.523 0 O-C-N 121.384 -0.823 . . . . 0.0 109.746 -178.596 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 89' ' ' GLU . . . . . 0.596 ' CD ' ' H ' ' A' ' 89' ' ' GLU . 3.8 pm0 -95.06 171.67 8.61 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.365 -0.834 . . . . 0.0 109.266 179.35 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 90' ' ' HIS . . . . . 0.436 ' ND1' ' N ' ' A' ' 91' ' ' GLU . 1.0 OUTLIER -58.6 139.84 55.26 Favored 'General case' 0 C--N 1.299 -1.591 0 O-C-N 121.37 -0.831 . . . . 0.0 109.658 -179.858 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 91' ' ' GLU . . . . . 0.436 ' N ' ' ND1' ' A' ' 90' ' ' HIS . 88.5 tt0 . . . . . 0 N--CA 1.492 1.654 0 CA-C-O 117.971 -1.014 . . . . 0.0 109.31 -179.574 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 0' ' ' MET . . . . . 0.504 ' SD ' ' O ' ' B' ' 0' ' ' MET . 2.3 tmm? . . . . . 0 N--CA 1.492 1.667 0 N-CA-C 109.284 -0.636 . . . . 0.0 109.284 . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 14.6 m -148.45 112.93 5.31 Favored 'General case' 0 N--CA 1.495 1.823 0 O-C-N 121.138 -0.976 . . . . 0.0 109.362 179.842 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 54.6 tp10 -60.8 -42.21 97.16 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.266 -0.896 . . . . 0.0 109.673 -179.849 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 3' ' ' LEU . . . . . 0.518 HD13 ' O ' ' B' ' 3' ' ' LEU . 0.2 OUTLIER -60.67 -42.55 97.3 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.173 -0.954 . . . . 0.0 109.33 -179.175 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 49.4 tp10 -61.41 -42.7 99.16 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.184 -0.948 . . . . 0.0 110.639 -179.327 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 62.6 tttm -60.03 -44.65 94.47 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.005 -1.059 . . . . 0.0 110.409 -178.929 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -60.1 -45.18 93.82 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.193 -0.942 . . . . 0.0 109.689 -179.351 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 7' ' ' MET . . . . . . . . . . . . . 56.0 tpp -59.94 -45.78 91.53 Favored 'General case' 0 C--N 1.301 -1.526 0 O-C-N 121.394 -0.816 . . . . 0.0 109.599 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 79.3 t -70.0 -41.91 79.44 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.554 0 O-C-N 121.293 -0.879 . . . . 0.0 110.468 -179.003 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.32 -40.6 91.17 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 120.907 -1.121 . . . . 0.0 109.685 -179.471 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 10' ' ' LEU . . . . . 0.467 HD13 ' O ' ' B' ' 10' ' ' LEU . 0.3 OUTLIER -60.25 -51.23 70.43 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.191 -0.943 . . . . 0.0 109.052 -179.961 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 96.6 mt -68.78 -41.04 82.18 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.592 0 O-C-N 121.073 -1.017 . . . . 0.0 109.81 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 12' ' ' ASP . . . . . 0.466 ' O ' ' OE1' ' B' ' 16' ' ' GLN . 8.7 t0 -60.95 -49.29 78.07 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.19 -0.944 . . . . 0.0 110.342 -179.287 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 76.6 t -63.72 -42.02 94.57 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.635 0 O-C-N 120.813 -1.18 . . . . 0.0 109.695 -179.318 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 14' ' ' PHE . . . . . . . . . . . . . 64.9 t80 -60.89 -48.5 81.52 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.368 -0.832 . . . . 0.0 110.93 -179.875 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 53.3 t-80 -70.53 -48.58 54.79 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 120.917 -1.114 . . . . 0.0 110.781 -178.924 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 16' ' ' GLN . . . . . 0.499 ' N ' ' OE1' ' B' ' 16' ' ' GLN . 9.2 mp0 -67.29 -42.85 83.06 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 120.975 -1.078 . . . . 0.0 111.008 -178.942 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 17' ' ' TYR . . . . . 0.712 ' CZ ' ' ND2' ' B' ' 38' ' ' ASN . 40.2 t80 -70.46 -41.45 72.75 Favored 'General case' 0 N--CA 1.496 1.836 0 O-C-N 120.598 -1.314 . . . . 0.0 110.779 -178.879 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 83.1 p -62.24 -40.03 94.8 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.159 -0.963 . . . . 0.0 111.107 -178.583 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -80.21 -10.1 85.84 Favored Glycine 0 N--CA 1.493 2.471 0 N-CA-C 109.693 -1.363 . . . . 0.0 109.693 -179.413 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 14.9 tpt180 -59.96 -40.11 87.89 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.429 -1.042 . . . . 0.0 109.84 -179.722 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 14.0 tt0 -96.77 0.29 49.21 Favored 'General case' 0 N--CA 1.495 1.775 0 O-C-N 121.476 -0.765 . . . . 0.0 110.058 -178.55 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . 82.28 16.79 70.71 Favored Glycine 0 N--CA 1.492 2.425 0 N-CA-C 109.185 -1.566 . . . . 0.0 109.185 -179.459 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 94.9 m-20 -69.99 -16.75 63.23 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.523 -0.986 . . . . 0.0 109.226 179.726 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 24' ' ' LYS . . . . . 0.635 ' O ' ' CG ' ' B' ' 25' ' ' HIS . 42.1 mtmt 57.48 62.33 2.19 Favored 'General case' 0 N--CA 1.497 1.882 0 O-C-N 121.775 -0.578 . . . . 0.0 111.096 179.352 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 25' ' ' HIS . . . . . 0.635 ' CG ' ' O ' ' B' ' 24' ' ' LYS . 17.0 p80 49.61 45.05 24.55 Favored 'General case' 0 N--CA 1.5 2.061 0 CA-C-O 121.082 0.468 . . . . 0.0 111.983 178.678 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 26' ' ' LYS . . . . . 0.408 ' C ' HD12 ' B' ' 27' ' ' LEU . 54.7 mtmt -140.44 129.68 23.72 Favored 'General case' 0 N--CA 1.502 2.161 0 O-C-N 121.157 -0.964 . . . . 0.0 108.739 177.729 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 27' ' ' LEU . . . . . 0.436 HD12 ' N ' ' B' ' 27' ' ' LEU . 10.8 mp -101.86 119.5 38.89 Favored 'General case' 0 N--CA 1.501 2.087 0 O-C-N 121.057 -1.027 . . . . 0.0 109.924 -179.571 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 2.4 tppt? -115.04 179.06 4.06 Favored 'General case' 0 N--CA 1.5 2.073 0 N-CA-C 108.554 -0.906 . . . . 0.0 108.554 179.546 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 26.9 tptp -60.0 -40.48 89.34 Favored 'General case' 0 N--CA 1.495 1.814 0 O-C-N 120.846 -1.159 . . . . 0.0 109.952 179.776 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 81.1 p -62.24 -45.98 90.92 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.125 -0.984 . . . . 0.0 109.988 -179.631 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 84.2 tt0 -69.8 -39.98 76.24 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.367 -0.833 . . . . 0.0 110.731 -179.16 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 9.1 tt -60.04 -48.84 80.03 Favored 'General case' 0 N--CA 1.495 1.82 0 O-C-N 121.115 -0.99 . . . . 0.0 110.533 -178.087 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 53.4 tttm -59.92 -43.4 94.93 Favored 'General case' 0 C--N 1.301 -1.529 0 O-C-N 120.984 -1.073 . . . . 0.0 108.986 -179.13 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 80.8 mm-40 -69.92 -34.51 73.56 Favored 'General case' 0 C--N 1.301 -1.528 0 O-C-N 121.454 -0.779 . . . . 0.0 109.394 179.213 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 35' ' ' LEU . . . . . 0.419 ' HA ' ' ND2' ' B' ' 38' ' ' ASN . 16.4 tp -59.97 -42.29 93.79 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.512 -0.742 . . . . 0.0 109.988 -178.496 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 96.8 mt -64.56 -40.04 87.67 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.689 0 O-C-N 120.998 -1.064 . . . . 0.0 110.206 -179.606 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 37' ' ' ASN . . . . . 0.461 ' O ' ' O ' ' B' ' 38' ' ' ASN . 3.1 m120 -68.86 -19.93 64.26 Favored 'General case' 0 N--CA 1.495 1.778 0 O-C-N 121.008 -1.058 . . . . 0.0 110.659 -179.289 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 38' ' ' ASN . . . . . 0.712 ' ND2' ' CZ ' ' B' ' 17' ' ' TYR . 65.3 m-20 -45.37 -99.57 0.0 OUTLIER 'General case' 0 N--CA 1.494 1.763 0 O-C-N 121.252 -0.905 . . . . 0.0 110.979 -178.854 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 62.2 mm-40 -111.21 -2.94 15.57 Favored 'General case' 0 N--CA 1.495 1.79 0 O-C-N 121.495 -0.753 . . . . 0.0 109.704 -179.028 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 40' ' ' LEU . . . . . 0.526 HD12 ' N ' ' B' ' 40' ' ' LEU . 10.5 mp -93.25 121.81 35.0 Favored 'General case' 0 N--CA 1.496 1.868 0 O-C-N 121.148 -0.97 . . . . 0.0 109.41 -179.902 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 3.2 t -153.79 -53.74 0.1 Allowed 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.404 -0.81 . . . . 0.0 109.21 179.637 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 42' ' ' HIS . . . . . . . . . . . . . 93.0 m-70 -69.66 -40.13 76.63 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.568 -0.708 . . . . 0.0 110.55 -179.257 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 43' ' ' PHE . . . . . 0.423 ' CZ ' ' SG ' ' B' ' 84' ' ' CYS . 3.0 t80 -71.7 -43.74 65.41 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.199 -0.938 . . . . 0.0 110.594 -178.165 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -90.84 -77.74 0.4 Allowed 'General case' 0 N--CA 1.499 1.99 0 O-C-N 120.972 -1.08 . . . . 0.0 110.084 -179.574 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 45' ' ' GLU . . . . . 0.438 ' O ' ' C ' ' B' ' 46' ' ' GLU . 28.3 tt0 63.19 -124.4 0.59 Allowed 'General case' 0 N--CA 1.491 1.589 0 N-CA-C 108.186 -1.042 . . . . 0.0 108.186 -178.41 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 46' ' ' GLU . . . . . 0.438 ' C ' ' O ' ' B' ' 45' ' ' GLU . 9.0 pt-20 36.01 -148.71 0.01 OUTLIER 'General case' 0 N--CA 1.502 2.174 0 O-C-N 121.578 -0.701 . . . . 0.0 111.007 179.466 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 47' ' ' ILE . . . . . 0.485 HG22 ' O ' ' B' ' 47' ' ' ILE . 46.1 mt 55.91 83.8 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.495 1.787 0 O-C-N 121.224 -0.923 . . . . 0.0 108.924 -179.72 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 26.9 mttm -93.04 -13.37 28.73 Favored 'General case' 0 N--CA 1.494 1.765 0 O-C-N 121.261 -0.9 . . . . 0.0 109.574 -179.295 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -141.24 156.23 45.92 Favored 'General case' 0 N--CA 1.499 2.011 0 O-C-N 121.155 -0.966 . . . . 0.0 109.978 -179.78 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 50' ' ' GLN . . . . . 0.54 ' N ' ' OE1' ' B' ' 50' ' ' GLN . 5.1 mp0 -69.96 -28.54 65.63 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.382 -0.824 . . . . 0.0 109.816 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 53.7 tp10 -59.98 -36.42 77.12 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.098 -1.002 . . . . 0.0 109.362 -179.07 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 83.1 t -59.95 -40.14 82.15 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.69 0 O-C-N 120.908 -1.12 . . . . 0.0 109.197 -179.765 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 72.0 t -61.59 -41.31 89.76 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.632 0 O-C-N 120.889 -1.132 . . . . 0.0 108.903 179.595 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 99.4 m-20 -60.85 -40.01 91.28 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.278 -0.889 . . . . 0.0 109.721 179.792 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -63.9 -40.01 95.51 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.276 -0.89 . . . . 0.0 108.968 179.634 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 55.3 t -60.03 -43.31 92.35 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.416 0 O-C-N 121.303 -0.873 . . . . 0.0 108.903 179.91 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 57' ' ' MET . . . . . . . . . . . . . 74.3 mmm -61.13 -45.63 93.87 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.239 -0.913 . . . . 0.0 109.908 179.071 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -69.75 -41.24 75.5 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.218 -0.926 . . . . 0.0 110.45 -179.65 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 94.1 m -70.14 -45.26 67.17 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.202 -0.936 . . . . 0.0 110.183 -179.785 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 54.1 tp -59.98 -49.99 75.51 Favored 'General case' 0 N--CA 1.488 1.46 0 O-C-N 121.109 -0.995 . . . . 0.0 109.652 -179.67 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 61' ' ' ASP . . . . . 0.419 ' OD1' ' OE1' ' B' ' 72' ' ' GLU . 97.0 m-20 -82.33 109.8 16.91 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.082 -1.011 . . . . 0.0 110.076 -179.854 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 62' ' ' GLU . . . . . 0.453 ' N ' ' CD ' ' B' ' 62' ' ' GLU . 5.6 mp0 -62.18 -39.95 94.41 Favored 'General case' 0 N--CA 1.487 1.413 0 O-C-N 121.449 -0.782 . . . . 0.0 109.068 179.047 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 35.1 p-10 -76.8 -10.02 59.08 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.345 -0.847 . . . . 0.0 109.024 179.811 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 53.99 51.35 50.42 Favored Glycine 0 N--CA 1.492 2.378 0 N-CA-C 110.355 -1.098 . . . . 0.0 110.355 178.981 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 65' ' ' ASP . . . . . 0.44 ' O ' ' OE1' ' B' ' 67' ' ' GLU . 37.0 p-10 -80.0 -12.24 59.72 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 120.95 -1.323 . . . . 0.0 109.93 -179.94 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 83.44 4.85 89.11 Favored Glycine 0 N--CA 1.494 2.56 0 C-N-CA 120.08 -1.057 . . . . 0.0 110.474 179.351 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 67' ' ' GLU . . . . . 0.44 ' OE1' ' O ' ' B' ' 65' ' ' ASP . 24.4 mp0 -138.19 153.6 49.16 Favored 'General case' 0 N--CA 1.5 2.072 0 O-C-N 121.113 -1.227 . . . . 0.0 109.304 179.613 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 68' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -118.87 122.6 42.69 Favored 'General case' 0 N--CA 1.5 2.057 0 O-C-N 121.513 -0.742 . . . . 0.0 109.687 -179.874 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 94.1 m-20 -89.9 178.1 6.31 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.405 -0.809 . . . . 0.0 109.216 179.39 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 56.8 t80 -59.91 -48.17 82.79 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.46 -0.775 . . . . 0.0 109.834 179.922 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 25.4 mm100 -60.39 -40.02 89.36 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.0 -1.062 . . . . 0.0 109.497 -179.706 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 72' ' ' GLU . . . . . 0.419 ' OE1' ' OD1' ' B' ' 61' ' ' ASP . 45.1 mt-10 -68.71 -39.91 80.21 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.127 -0.983 . . . . 0.0 108.93 179.125 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 73' ' ' PHE . . . . . . . . . . . . . 93.8 t80 -59.96 -41.38 91.82 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.541 -0.724 . . . . 0.0 109.73 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 74' ' ' MET . . . . . . . . . . . . . 94.2 mmm -60.24 -39.97 88.59 Favored 'General case' 0 C--N 1.302 -1.48 0 O-C-N 121.231 -0.918 . . . . 0.0 109.412 179.784 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -60.12 -40.0 88.19 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.257 -0.902 . . . . 0.0 110.116 -179.492 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 68.2 t80 -60.04 -40.24 88.7 Favored 'General case' 0 C--N 1.302 -1.488 0 O-C-N 121.228 -0.92 . . . . 0.0 110.792 -179.24 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 77' ' ' VAL . . . . . . . . . . . . . 54.3 t -61.06 -41.83 90.76 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.741 0 O-C-N 120.878 -1.139 . . . . 0.0 109.692 -179.748 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 78' ' ' SER . . . . . . . . . . . . . 66.1 p -67.01 -39.92 87.19 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.152 -0.968 . . . . 0.0 110.249 -179.708 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 79' ' ' MET . . . . . . . . . . . . . 98.2 mtp -60.01 -43.54 95.16 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.104 -0.998 . . . . 0.0 109.843 -178.881 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 70.2 t -70.1 -40.59 78.5 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.511 0 O-C-N 121.099 -1.001 . . . . 0.0 109.579 179.887 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 92.5 m -61.14 -40.02 92.25 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.15 -0.969 . . . . 0.0 110.149 -179.142 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 87.3 m -60.32 -42.37 95.48 Favored 'General case' 0 N--CA 1.494 1.739 0 O-C-N 121.131 -0.981 . . . . 0.0 110.322 -178.915 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -62.55 -42.19 99.37 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 120.886 -1.134 . . . . 0.0 109.085 -179.919 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 84' ' ' CYS . . . . . 0.423 ' SG ' ' CZ ' ' B' ' 43' ' ' PHE . 14.7 m -80.56 133.38 35.78 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.446 -0.784 . . . . 0.0 108.893 179.629 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 85' ' ' HIS . . . . . 0.489 ' O ' ' CB ' ' B' ' 86' ' ' GLU . 53.6 p-80 -158.6 -165.9 1.77 Allowed 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.098 -1.001 . . . . 0.0 109.856 -179.575 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 86' ' ' GLU . . . . . 0.492 ' C ' ' CG ' ' B' ' 87' ' ' PHE . 1.4 tm-20 78.37 21.17 0.84 Allowed 'General case' 0 N--CA 1.494 1.756 0 O-C-N 121.607 -0.683 . . . . 0.0 109.186 -179.692 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 87' ' ' PHE . . . . . 0.495 ' CD1' ' N ' ' B' ' 87' ' ' PHE . 0.1 OUTLIER 39.93 90.04 0.01 OUTLIER 'General case' 0 N--CA 1.502 2.129 0 N-CA-C 109.267 -0.642 . . . . 0.0 109.267 179.919 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 36.2 t80 -53.74 120.58 6.43 Favored 'General case' 0 C--N 1.299 -1.596 0 O-C-N 121.398 -0.814 . . . . 0.0 109.682 -178.738 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 89' ' ' GLU . . . . . 0.586 ' CD ' ' H ' ' B' ' 89' ' ' GLU . 3.8 pm0 -94.56 172.83 7.94 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.358 -0.839 . . . . 0.0 109.232 179.388 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 90' ' ' HIS . . . . . 0.427 ' ND1' ' N ' ' B' ' 91' ' ' GLU . 0.9 OUTLIER -60.04 140.06 57.06 Favored 'General case' 0 C--N 1.302 -1.478 0 O-C-N 121.42 -0.8 . . . . 0.0 109.643 -179.684 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' B' B ' 91' ' ' GLU . . . . . 0.427 ' N ' ' ND1' ' B' ' 90' ' ' HIS . 88.0 tt0 . . . . . 0 N--CA 1.489 1.484 0 CA-C-O 117.979 -1.01 . . . . 0.0 109.42 -179.546 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 92' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 93' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' B' B ' 92' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' B' B ' 93' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 0' ' ' MET . . . . . 0.591 ' SD ' ' N ' ' A' ' 1' ' ' SER . 0.0 OUTLIER . . . . . 0 N--CA 1.491 1.62 0 N-CA-C 108.79 -0.819 . . . . 0.0 108.79 . . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 1' ' ' SER . . . . . 0.591 ' N ' ' SD ' ' A' ' 0' ' ' MET . 36.2 m -77.24 123.99 27.22 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 120.931 -1.105 . . . . 0.0 109.084 179.676 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 13.9 pt-20 -66.44 -39.24 88.77 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.318 -0.864 . . . . 0.0 110.535 -179.329 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 25.2 tp -59.88 -44.98 93.89 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 120.903 -1.123 . . . . 0.0 108.883 -179.419 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 39.3 mm-40 -59.99 -40.23 88.44 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.308 -0.87 . . . . 0.0 109.906 -179.325 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 59.8 tttm -62.17 -40.03 94.65 Favored 'General case' 0 C--N 1.302 -1.459 0 O-C-N 121.119 -0.988 . . . . 0.0 109.595 -179.521 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -69.54 -40.05 77.08 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.101 -0.999 . . . . 0.0 109.501 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 9.7 ttp -66.78 -40.01 88.01 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.161 -0.962 . . . . 0.0 108.792 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 54.5 t -67.43 -39.96 83.62 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.565 0 O-C-N 121.416 -0.802 . . . . 0.0 109.221 179.209 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -57.02 -39.97 75.77 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.239 -0.913 . . . . 0.0 109.988 -178.737 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 98.0 mt -60.11 -42.74 95.39 Favored 'General case' 0 C--N 1.301 -1.501 0 O-C-N 120.754 -1.216 . . . . 0.0 108.398 179.489 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 93.3 mt -73.65 -42.34 55.15 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.62 0 O-C-N 121.339 -0.851 . . . . 0.0 110.087 179.24 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -69.95 -40.57 75.39 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.24 -0.912 . . . . 0.0 110.202 -179.039 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 54.5 t -65.2 -39.95 87.13 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.668 0 O-C-N 121.334 -0.854 . . . . 0.0 109.666 -179.873 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 46.7 t80 -59.95 -44.21 94.54 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.203 -0.936 . . . . 0.0 109.646 -179.005 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 3.9 m-70 -61.57 -49.09 78.05 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.109 -0.994 . . . . 0.0 109.639 -179.94 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 4.7 tp-100 -69.91 -41.19 75.02 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.371 -0.831 . . . . 0.0 110.037 -179.706 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 9.5 t80 -69.92 -40.01 75.82 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.111 -0.993 . . . . 0.0 109.487 -179.287 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' SER . . . . . 0.497 ' C ' ' H ' ' A' ' 20' ' ' ARG . 59.2 p -71.42 -37.06 71.49 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.124 -0.985 . . . . 0.0 109.953 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -68.39 15.54 0.58 Allowed Glycine 0 N--CA 1.493 2.469 0 N-CA-C 110.382 -1.087 . . . . 0.0 110.382 -179.147 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.497 ' H ' ' C ' ' A' ' 18' ' ' SER . 1.5 tpt180 -60.01 -40.08 88.04 Favored 'General case' 0 C--N 1.3 -1.55 0 O-C-N 121.128 -1.219 . . . . 0.0 109.117 -179.829 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -135.61 -164.65 1.57 Allowed 'General case' 0 N--CA 1.498 1.96 0 O-C-N 121.465 -0.772 . . . . 0.0 109.716 -179.57 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -58.79 -29.04 63.95 Favored Glycine 0 N--CA 1.491 2.303 0 N-CA-C 110.441 -1.064 . . . . 0.0 110.441 -179.579 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 84.2 m-20 -70.17 103.54 2.36 Favored 'General case' 0 N--CA 1.494 1.749 0 O-C-N 120.885 -1.362 . . . . 0.0 109.382 -179.721 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 47.6 tttp -103.4 -34.54 8.7 Favored 'General case' 0 N--CA 1.499 1.986 0 O-C-N 121.45 -0.781 . . . . 0.0 110.648 -179.228 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 91.4 m-70 -94.53 -1.07 54.08 Favored 'General case' 0 N--CA 1.501 2.104 0 O-C-N 120.793 -1.192 . . . . 0.0 111.593 -178.272 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 58.9 pttt -150.82 161.69 42.18 Favored 'General case' 0 N--CA 1.499 1.988 0 O-C-N 120.48 -1.388 . . . . 0.0 110.78 -179.621 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 84.7 mt -115.91 137.12 52.4 Favored 'General case' 0 N--CA 1.498 1.952 0 N-CA-C 108.967 -0.753 . . . . 0.0 108.967 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 8.7 mtmp? -94.96 179.78 5.11 Favored 'General case' 0 N--CA 1.497 1.913 0 O-C-N 121.09 -1.006 . . . . 0.0 109.342 179.87 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 34.6 ttmt -59.97 -40.06 87.79 Favored 'General case' 0 N--CA 1.495 1.794 0 O-C-N 121.339 -0.851 . . . . 0.0 110.668 -179.3 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 30' ' ' SER . . . . . 0.43 ' OG ' ' OE1' ' A' ' 31' ' ' GLU . 91.7 p -59.9 -40.04 87.4 Favored 'General case' 0 N--CA 1.494 1.774 0 O-C-N 120.952 -1.092 . . . . 0.0 110.464 -178.64 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.55 ' OE1' ' N ' ' A' ' 31' ' ' GLU . 7.6 mp0 -66.84 -37.29 84.2 Favored 'General case' 0 C--N 1.299 -1.621 0 O-C-N 120.891 -1.131 . . . . 0.0 109.765 179.916 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 28.9 tp -60.0 -47.66 84.9 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.411 -0.806 . . . . 0.0 111.311 -177.752 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 51.4 pttt -69.36 -35.15 75.56 Favored 'General case' 0 N--CA 1.496 1.825 0 O-C-N 120.593 -1.317 . . . . 0.0 110.265 -178.423 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 24.9 mm-40 -61.43 -40.3 93.94 Favored 'General case' 0 N--CA 1.498 1.925 0 O-C-N 120.87 -1.144 . . . . 0.0 110.403 179.806 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 9.9 tp -60.07 -45.46 92.8 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.056 -1.027 . . . . 0.0 109.447 -179.161 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 96.1 mt -61.49 -40.01 84.93 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.632 0 O-C-N 121.276 -0.89 . . . . 0.0 111.917 -178.72 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 83.3 m-20 -67.19 -62.76 1.27 Allowed 'General case' 0 N--CA 1.496 1.865 0 O-C-N 120.937 -1.102 . . . . 0.0 113.951 -176.3 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 33.2 p-10 -81.6 -21.52 38.3 Favored 'General case' 0 N--CA 1.502 2.169 0 N-CA-C 114.448 1.277 . . . . 0.0 114.448 -175.887 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 63.3 mm-40 -92.33 -1.64 56.92 Favored 'General case' 0 N--CA 1.506 2.325 0 O-C-N 120.107 -1.621 . . . . 0.0 111.471 -177.916 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.45 ' N ' ' CD2' ' A' ' 40' ' ' LEU . 1.2 mm? -99.86 120.44 39.77 Favored 'General case' 0 N--CA 1.5 2.041 0 O-C-N 120.992 -1.068 . . . . 0.0 108.684 179.101 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 18.4 p -77.35 -62.34 1.69 Allowed 'General case' 0 N--CA 1.488 1.444 0 O-C-N 121.47 -0.769 . . . . 0.0 110.262 -179.293 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 65.4 m80 -142.13 -5.38 0.99 Allowed 'General case' 0 N--CA 1.498 1.971 0 O-C-N 121.128 -0.982 . . . . 0.0 110.447 -179.356 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 42.8 m-85 -60.07 -41.22 91.92 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 120.925 -1.11 . . . . 0.0 109.743 -179.481 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 22.4 mt -142.3 -85.68 0.16 Allowed 'General case' 0 N--CA 1.5 2.07 0 O-C-N 121.139 -0.976 . . . . 0.0 109.58 -179.564 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 45' ' ' GLU . . . . . 0.408 ' O ' ' OE1' ' A' ' 45' ' ' GLU . 2.1 tm-20 61.19 20.58 11.11 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.303 -0.873 . . . . 0.0 109.572 -179.704 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 12.8 tp10 -98.47 -138.59 0.3 Allowed 'General case' 0 N--CA 1.499 1.991 0 O-C-N 121.214 -0.929 . . . . 0.0 109.096 179.888 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 65.7 mt 58.67 113.67 0.02 OUTLIER 'Isoleucine or valine' 0 N--CA 1.498 1.937 0 O-C-N 121.694 -0.628 . . . . 0.0 111.144 178.863 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 26.8 mttm -131.48 -34.17 1.4 Allowed 'General case' 0 N--CA 1.499 2.023 0 O-C-N 121.48 -0.762 . . . . 0.0 109.496 178.737 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 30.1 mp0 -86.87 145.53 26.54 Favored 'General case' 0 N--CA 1.498 1.929 0 O-C-N 121.045 -1.034 . . . . 0.0 110.307 -179.706 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 21.9 mp0 -68.98 -31.13 69.75 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.47 -0.769 . . . . 0.0 109.655 -179.905 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 -59.91 -40.09 87.63 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.216 -0.928 . . . . 0.0 109.634 -179.112 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 54.0 t -60.86 -42.73 93.66 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.617 0 O-C-N 121.223 -0.923 . . . . 0.0 109.789 -179.762 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 55.8 t -66.38 -43.13 91.43 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.622 0 O-C-N 121.059 -1.025 . . . . 0.0 109.913 -179.471 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 58.9 t0 -59.99 -43.68 94.99 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.168 -0.957 . . . . 0.0 109.812 -179.115 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 17.6 tptm -68.59 -40.62 80.43 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.2 -0.938 . . . . 0.0 109.803 -179.37 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 54.4 t -69.89 -47.98 66.37 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.706 0 O-C-N 121.209 -0.932 . . . . 0.0 110.18 -179.74 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -60.07 -40.09 88.28 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.037 -1.039 . . . . 0.0 109.805 -179.292 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 86.3 tt0 -62.91 -40.23 96.96 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.197 -0.94 . . . . 0.0 109.912 -179.891 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 94.5 m -69.95 -40.19 75.59 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.345 -0.847 . . . . 0.0 110.757 -179.233 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 60.6 tp -63.94 -39.99 95.42 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.023 -1.048 . . . . 0.0 110.076 -178.966 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 34.8 m-20 -73.17 99.94 2.95 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 120.858 -1.151 . . . . 0.0 109.507 -179.206 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 49.7 tp10 -64.07 -39.99 95.27 Favored 'General case' 0 C--N 1.302 -1.482 0 O-C-N 121.55 -0.718 . . . . 0.0 109.755 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 45.6 p-10 -86.61 -6.41 58.88 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 121.14 -0.975 . . . . 0.0 109.92 -179.366 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 55.19 44.6 84.05 Favored Glycine 0 N--CA 1.491 2.324 0 N-CA-C 109.896 -1.281 . . . . 0.0 109.896 179.642 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 65' ' ' ASP . . . . . 0.434 ' OD2' ' O ' ' A' ' 67' ' ' GLU . 50.9 p-10 -72.52 -9.96 59.2 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.004 -1.292 . . . . 0.0 109.156 179.93 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 73.77 5.6 69.72 Favored Glycine 0 N--CA 1.492 2.386 0 N-CA-C 110.41 -1.076 . . . . 0.0 110.41 178.885 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.434 ' O ' ' OD2' ' A' ' 65' ' ' ASP . 12.7 pt-20 -149.58 159.25 44.48 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.043 -1.269 . . . . 0.0 109.615 -179.902 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 79.4 m -105.95 111.23 23.79 Favored 'General case' 0 N--CA 1.496 1.839 0 O-C-N 121.489 -0.757 . . . . 0.0 109.072 179.793 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 69' ' ' ASP . . . . . 0.494 ' OD1' ' N ' ' A' ' 70' ' ' PHE . 10.3 t70 -89.38 178.38 6.34 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.374 -0.829 . . . . 0.0 109.332 -179.916 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 70' ' ' PHE . . . . . 0.494 ' N ' ' OD1' ' A' ' 69' ' ' ASP . 70.8 t80 -59.96 -46.0 90.83 Favored 'General case' 0 C--N 1.302 -1.475 0 O-C-N 121.203 -0.935 . . . . 0.0 109.433 -179.531 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 60.6 tt0 -61.71 -40.04 93.63 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.034 -1.041 . . . . 0.0 108.683 178.904 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 73.9 mm-40 -59.99 -37.43 79.65 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.476 -0.765 . . . . 0.0 109.915 179.873 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 64.1 t80 -59.68 -44.43 93.63 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.148 -0.97 . . . . 0.0 109.359 -179.087 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 11.6 tpt -59.98 -40.05 87.79 Favored 'General case' 0 C--N 1.302 -1.484 0 N-CA-C 108.522 -0.918 . . . . 0.0 108.522 178.84 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -61.39 -36.34 80.0 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.582 -0.699 . . . . 0.0 110.432 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 26.0 t80 -59.98 -49.85 76.07 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 120.942 -1.099 . . . . 0.0 109.574 -178.784 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 95.7 t -62.59 -40.27 87.71 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.478 0 O-C-N 121.078 -1.014 . . . . 0.0 110.048 -179.601 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 79.8 p -64.15 -39.93 95.07 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.17 -0.956 . . . . 0.0 110.917 -178.923 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 4.2 tpt -60.02 -43.68 95.1 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 120.867 -1.146 . . . . 0.0 109.54 -179.442 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 72.3 t -69.93 -39.99 78.21 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.493 0 O-C-N 121.17 -0.956 . . . . 0.0 109.656 -179.735 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 94.3 m -67.45 -40.06 85.39 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.121 -0.987 . . . . 0.0 110.148 -179.369 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 33.1 p -65.59 -39.99 92.19 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.024 -1.048 . . . . 0.0 109.365 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -62.06 -39.89 93.92 Favored 'General case' 0 N--CA 1.487 1.415 0 O-C-N 121.367 -0.833 . . . . 0.0 109.077 179.433 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 19.1 t -76.89 130.39 37.51 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.364 -0.835 . . . . 0.0 109.497 179.884 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 85' ' ' HIS . . . . . 0.423 ' C ' ' N ' ' A' ' 87' ' ' PHE . 21.1 m170 -113.73 174.69 5.8 Favored 'General case' 0 N--CA 1.498 1.929 0 O-C-N 121.589 -0.694 . . . . 0.0 109.309 -179.788 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 86' ' ' GLU . . . . . 0.535 ' O ' ' N ' ' A' ' 88' ' ' PHE . 44.4 tp10 -50.0 -20.23 0.9 Allowed 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.201 -0.937 . . . . 0.0 108.489 179.525 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 87' ' ' PHE . . . . . 0.474 ' CD1' ' O ' ' A' ' 87' ' ' PHE . 51.6 t80 -46.87 -12.45 0.02 OUTLIER 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.605 -0.684 . . . . 0.0 109.863 179.355 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 88' ' ' PHE . . . . . 0.535 ' N ' ' O ' ' A' ' 86' ' ' GLU . 62.2 t80 -75.95 -9.45 58.62 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.307 -0.871 . . . . 0.0 110.408 -179.094 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 54.4 tp10 -61.67 120.63 11.0 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 120.844 -1.16 . . . . 0.0 108.32 179.43 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 90' ' ' HIS . . . . . 0.405 ' O ' ' OXT' ' A' ' 91' ' ' GLU . 67.7 t60 -110.55 -76.97 0.6 Allowed 'General case' 0 N--CA 1.5 2.062 0 O-C-N 121.403 -0.811 . . . . 0.0 109.779 -179.277 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 91' ' ' GLU . . . . . 0.405 ' OXT' ' O ' ' A' ' 90' ' ' HIS . 88.0 tt0 . . . . . 0 N--CA 1.492 1.663 0 CA-C-O 117.993 -1.003 . . . . 0.0 109.471 -179.774 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 0' ' ' MET . . . . . 0.593 ' SD ' ' N ' ' B' ' 1' ' ' SER . 0.0 OUTLIER . . . . . 0 N--CA 1.489 1.507 0 N-CA-C 108.601 -0.889 . . . . 0.0 108.601 . . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 1' ' ' SER . . . . . 0.593 ' N ' ' SD ' ' B' ' 0' ' ' MET . 26.9 m -77.11 124.75 28.26 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 120.897 -1.127 . . . . 0.0 108.918 179.707 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 13.9 pt-20 -67.27 -38.91 85.88 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.334 -0.854 . . . . 0.0 110.493 -179.289 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 28.3 tp -59.99 -44.83 94.26 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 120.908 -1.12 . . . . 0.0 108.892 -179.491 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 39.8 mm-40 -60.22 -40.1 89.0 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.216 -0.928 . . . . 0.0 109.983 -179.362 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 59.9 tttm -62.15 -39.93 94.25 Favored 'General case' 0 C--N 1.302 -1.467 0 O-C-N 121.228 -0.92 . . . . 0.0 109.845 -179.744 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -69.64 -39.97 76.79 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.115 -0.991 . . . . 0.0 109.465 179.911 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 7' ' ' MET . . . . . . . . . . . . . 11.0 ttp -66.86 -40.01 87.75 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.311 -0.868 . . . . 0.0 108.729 -179.747 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 54.6 t -67.55 -40.05 83.56 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.622 0 O-C-N 121.423 -0.798 . . . . 0.0 109.186 179.272 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -57.02 -40.06 75.96 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.307 -0.871 . . . . 0.0 109.904 -178.622 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 93.8 mt -59.99 -42.98 95.41 Favored 'General case' 0 C--N 1.301 -1.506 0 O-C-N 120.904 -1.122 . . . . 0.0 108.467 179.4 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 91.8 mt -73.25 -42.65 57.9 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.589 0 O-C-N 121.44 -0.787 . . . . 0.0 110.043 179.252 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -69.71 -40.66 76.14 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.275 -0.89 . . . . 0.0 110.19 -179.023 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 54.6 t -65.07 -39.98 87.43 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.558 0 O-C-N 121.153 -0.967 . . . . 0.0 109.672 -179.87 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 14' ' ' PHE . . . . . . . . . . . . . 47.5 t80 -60.04 -44.27 94.76 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.242 -0.911 . . . . 0.0 109.615 -178.97 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 3.8 m-70 -61.47 -49.08 78.22 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.105 -0.997 . . . . 0.0 109.51 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 4.6 tp-100 -70.02 -40.97 74.89 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.375 -0.828 . . . . 0.0 110.071 -179.647 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 9.6 t80 -69.95 -40.09 75.65 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.299 -0.876 . . . . 0.0 109.352 -179.319 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 18' ' ' SER . . . . . 0.506 ' C ' ' H ' ' B' ' 20' ' ' ARG . 60.6 p -71.32 -37.09 71.78 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.113 -0.992 . . . . 0.0 110.054 -179.911 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -68.27 15.39 0.57 Allowed Glycine 0 N--CA 1.493 2.492 0 N-CA-C 110.368 -1.093 . . . . 0.0 110.368 -179.121 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 20' ' ' ARG . . . . . 0.506 ' H ' ' C ' ' B' ' 18' ' ' SER . 1.4 tpt180 -59.97 -40.04 87.73 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 121.119 -1.224 . . . . 0.0 109.061 -179.793 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -135.49 -163.97 1.47 Allowed 'General case' 0 N--CA 1.496 1.871 0 O-C-N 121.465 -0.772 . . . . 0.0 109.844 -179.601 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . -59.54 -28.56 65.26 Favored Glycine 0 N--CA 1.493 2.476 0 N-CA-C 110.269 -1.133 . . . . 0.0 110.269 -179.471 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 83.9 m-20 -70.61 104.03 2.69 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 120.962 -1.316 . . . . 0.0 109.286 -179.827 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 45.2 tttp -104.02 -34.27 8.5 Favored 'General case' 0 N--CA 1.496 1.841 0 O-C-N 121.549 -0.72 . . . . 0.0 110.687 -179.248 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 25' ' ' HIS . . . . . . . . . . . . . 91.2 m-70 -94.71 -1.05 53.77 Favored 'General case' 0 N--CA 1.5 2.053 0 O-C-N 120.902 -1.124 . . . . 0.0 111.56 -178.32 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 59.2 pttt -150.75 162.05 41.46 Favored 'General case' 0 N--CA 1.499 2.02 0 O-C-N 120.568 -1.333 . . . . 0.0 110.737 -179.734 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 81.3 mt -116.24 137.26 52.29 Favored 'General case' 0 N--CA 1.498 1.931 0 N-CA-C 108.954 -0.758 . . . . 0.0 108.954 179.83 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 8.4 mtmp? -95.05 179.77 5.1 Favored 'General case' 0 N--CA 1.496 1.833 0 O-C-N 121.171 -0.956 . . . . 0.0 109.428 179.871 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 36.0 ttmt -60.06 -39.96 87.79 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.415 -0.803 . . . . 0.0 110.69 -179.273 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 30' ' ' SER . . . . . 0.434 ' OG ' ' OE1' ' B' ' 31' ' ' GLU . 96.6 p -59.87 -40.1 87.49 Favored 'General case' 0 N--CA 1.495 1.802 0 O-C-N 120.851 -1.156 . . . . 0.0 110.393 -178.597 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 31' ' ' GLU . . . . . 0.574 ' OE1' ' N ' ' B' ' 31' ' ' GLU . 7.7 mp0 -66.93 -37.08 83.66 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 120.759 -1.213 . . . . 0.0 109.804 179.904 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 36.9 tp -59.99 -47.7 84.73 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.298 -0.876 . . . . 0.0 111.122 -177.749 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 52.6 pttt -69.57 -34.82 74.71 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 120.577 -1.327 . . . . 0.0 110.397 -178.401 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 24.2 mm-40 -61.69 -40.43 94.97 Favored 'General case' 0 N--CA 1.497 1.898 0 O-C-N 120.805 -1.184 . . . . 0.0 110.364 179.777 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 9.6 tp -59.94 -46.09 90.51 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 120.976 -1.078 . . . . 0.0 109.411 -179.231 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 36' ' ' ILE . . . . . 0.419 HG21 HD12 ' B' ' 47' ' ' ILE . 87.4 mt -60.69 -40.07 83.62 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.757 0 O-C-N 121.288 -0.883 . . . . 0.0 111.892 -178.79 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 83.4 m-20 -67.53 -62.84 1.22 Allowed 'General case' 0 N--CA 1.497 1.923 0 N-CA-C 114.064 1.135 . . . . 0.0 114.064 -176.403 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 33.9 p-10 -81.51 -21.89 38.31 Favored 'General case' 0 N--CA 1.502 2.164 0 O-C-N 120.716 -1.24 . . . . 0.0 114.317 -175.79 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 63.9 mm-40 -92.03 -1.71 57.08 Favored 'General case' 0 N--CA 1.506 2.339 0 O-C-N 120.107 -1.621 . . . . 0.0 111.471 -177.909 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 40' ' ' LEU . . . . . 0.445 ' CD2' ' N ' ' B' ' 40' ' ' LEU . 1.2 mm? -99.8 120.41 39.7 Favored 'General case' 0 N--CA 1.501 2.104 0 O-C-N 120.974 -1.079 . . . . 0.0 108.654 179.048 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 17.7 p -77.21 -62.46 1.65 Allowed 'General case' 0 N--CA 1.486 1.361 0 O-C-N 121.438 -0.789 . . . . 0.0 110.297 -179.347 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 42' ' ' HIS . . . . . . . . . . . . . 65.9 m80 -142.15 -5.29 0.99 Allowed 'General case' 0 N--CA 1.497 1.914 0 O-C-N 121.085 -1.01 . . . . 0.0 110.52 -179.378 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 43.5 m-85 -60.0 -41.34 91.89 Favored 'General case' 0 N--CA 1.494 1.733 0 O-C-N 120.877 -1.139 . . . . 0.0 109.764 -179.576 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 25.3 mt -142.07 -86.06 0.17 Allowed 'General case' 0 N--CA 1.502 2.126 0 O-C-N 121.1 -1.0 . . . . 0.0 109.538 -179.389 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 2.1 tm-20 61.45 20.7 11.4 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.388 -0.82 . . . . 0.0 109.46 -179.769 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 12.7 tp10 -98.86 -138.78 0.31 Allowed 'General case' 0 N--CA 1.499 2.015 0 O-C-N 121.2 -0.937 . . . . 0.0 109.036 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 47' ' ' ILE . . . . . 0.419 HD12 HG21 ' B' ' 36' ' ' ILE . 64.4 mt 58.88 113.47 0.02 OUTLIER 'Isoleucine or valine' 0 N--CA 1.498 1.953 0 O-C-N 121.72 -0.613 . . . . 0.0 111.26 178.987 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 27.0 mttm -131.35 -34.32 1.41 Allowed 'General case' 0 N--CA 1.501 2.115 0 O-C-N 121.538 -0.726 . . . . 0.0 109.428 178.741 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 30.3 mp0 -86.71 145.37 26.7 Favored 'General case' 0 N--CA 1.498 1.951 0 O-C-N 121.063 -1.023 . . . . 0.0 110.146 -179.652 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 21.8 mp0 -68.92 -31.1 69.76 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.474 -0.766 . . . . 0.0 109.674 -179.883 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -60.01 -40.04 87.9 Favored 'General case' 0 N--CA 1.488 1.464 0 O-C-N 121.227 -0.921 . . . . 0.0 109.531 -178.954 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 54.1 t -60.91 -42.6 93.35 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.64 0 O-C-N 121.215 -0.928 . . . . 0.0 109.794 -179.913 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 54.2 t -66.71 -42.87 90.15 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.628 0 O-C-N 121.043 -1.035 . . . . 0.0 109.904 -179.488 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 58.8 t0 -60.13 -43.26 95.82 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.246 -0.909 . . . . 0.0 109.695 -179.133 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 17.7 tptm -69.22 -40.26 78.07 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.083 -1.011 . . . . 0.0 109.722 -179.266 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 54.4 t -70.05 -47.76 66.51 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.622 0 O-C-N 121.148 -0.97 . . . . 0.0 110.238 -179.831 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 57' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -60.07 -40.34 89.15 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.089 -1.007 . . . . 0.0 109.872 -179.293 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 86.3 tt0 -62.58 -40.2 96.13 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.215 -0.928 . . . . 0.0 109.927 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 94.3 m -69.95 -40.24 75.55 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.322 -0.861 . . . . 0.0 110.764 -179.124 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 60.7 tp -63.91 -40.04 95.57 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 121.051 -1.031 . . . . 0.0 110.101 -178.782 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 36.1 m-20 -73.2 99.4 2.83 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 120.971 -1.081 . . . . 0.0 109.618 -179.23 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 49.8 tp10 -63.42 -39.94 95.84 Favored 'General case' 0 C--N 1.304 -1.383 0 O-C-N 121.575 -0.703 . . . . 0.0 109.826 179.895 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 46.0 p-10 -86.74 -6.28 58.87 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.076 -1.015 . . . . 0.0 109.904 -179.322 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 55.8 43.53 87.02 Favored Glycine 0 N--CA 1.49 2.275 0 N-CA-C 109.983 -1.247 . . . . 0.0 109.983 179.483 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 65' ' ' ASP . . . . . 0.438 ' OD2' ' O ' ' B' ' 67' ' ' GLU . 50.4 p-10 -72.01 -9.98 59.13 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 120.972 -1.31 . . . . 0.0 109.271 -179.796 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 73.97 5.1 69.25 Favored Glycine 0 N--CA 1.492 2.408 0 N-CA-C 110.543 -1.023 . . . . 0.0 110.543 178.878 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 67' ' ' GLU . . . . . 0.438 ' O ' ' OD2' ' B' ' 65' ' ' ASP . 12.6 pt-20 -149.26 159.39 44.31 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 120.98 -1.306 . . . . 0.0 109.536 -179.785 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 68' ' ' CYS . . . . . . . . . . . . . 81.7 m -106.12 111.33 23.9 Favored 'General case' 0 N--CA 1.496 1.841 0 O-C-N 121.47 -0.769 . . . . 0.0 109.14 179.783 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 69' ' ' ASP . . . . . 0.491 ' OD1' ' N ' ' B' ' 70' ' ' PHE . 10.3 t70 -89.37 178.52 6.31 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.39 -0.819 . . . . 0.0 109.488 -179.838 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 70' ' ' PHE . . . . . 0.491 ' N ' ' OD1' ' B' ' 69' ' ' ASP . 71.7 t80 -60.06 -45.96 91.14 Favored 'General case' 0 C--N 1.303 -1.456 0 O-C-N 121.288 -0.882 . . . . 0.0 109.352 -179.495 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 61.0 tt0 -61.89 -40.04 94.04 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.015 -1.053 . . . . 0.0 108.633 179.038 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 73.7 mm-40 -59.99 -37.26 79.15 Favored 'General case' 0 N--CA 1.494 1.743 0 O-C-N 121.528 -0.732 . . . . 0.0 109.973 179.891 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 73' ' ' PHE . . . . . . . . . . . . . 64.0 t80 -59.9 -44.38 94.3 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.192 -0.943 . . . . 0.0 109.262 -179.091 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 74' ' ' MET . . . . . . . . . . . . . 11.7 tpt -60.0 -40.09 88.01 Favored 'General case' 0 C--N 1.302 -1.484 0 O-C-N 121.154 -0.966 . . . . 0.0 108.468 178.826 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -61.33 -36.5 80.32 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.561 -0.712 . . . . 0.0 110.43 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 28.1 t80 -59.91 -49.82 76.19 Favored 'General case' 0 N--CA 1.495 1.796 0 O-C-N 121.056 -1.027 . . . . 0.0 109.535 -178.666 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 77' ' ' VAL . . . . . . . . . . . . . 96.1 t -62.51 -40.15 87.1 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.508 0 O-C-N 121.245 -0.909 . . . . 0.0 110.126 -179.764 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 78' ' ' SER . . . . . . . . . . . . . 78.7 p -64.27 -39.99 95.06 Favored 'General case' 0 N--CA 1.494 1.767 0 O-C-N 121.295 -0.878 . . . . 0.0 110.903 -178.925 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 79' ' ' MET . . . . . . . . . . . . . 4.3 tpt -59.97 -43.92 94.78 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 120.981 -1.075 . . . . 0.0 109.471 -179.39 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 71.8 t -69.78 -39.98 78.53 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.499 0 O-C-N 121.28 -0.888 . . . . 0.0 109.645 -179.698 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 94.3 m -67.49 -40.41 85.24 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.146 -0.971 . . . . 0.0 110.215 -179.451 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 33.9 p -65.25 -39.9 93.27 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.024 -1.047 . . . . 0.0 109.244 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -62.17 -39.98 94.47 Favored 'General case' 0 N--CA 1.488 1.448 0 O-C-N 121.315 -0.866 . . . . 0.0 109.128 179.64 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 84' ' ' CYS . . . . . . . . . . . . . 19.5 t -76.75 130.69 38.06 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.349 -0.844 . . . . 0.0 109.411 179.84 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 85' ' ' HIS . . . . . 0.411 ' C ' ' N ' ' B' ' 87' ' ' PHE . 21.6 m170 -114.09 174.74 5.79 Favored 'General case' 0 N--CA 1.498 1.974 0 O-C-N 121.62 -0.675 . . . . 0.0 109.279 -179.744 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 86' ' ' GLU . . . . . 0.533 ' O ' ' N ' ' B' ' 88' ' ' PHE . 44.3 tp10 -50.02 -20.13 0.88 Allowed 'General case' 0 N--CA 1.492 1.658 0 N-CA-C 108.489 -0.93 . . . . 0.0 108.489 179.538 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 87' ' ' PHE . . . . . 0.479 ' O ' ' CD1' ' B' ' 87' ' ' PHE . 51.8 t80 -46.95 -12.24 0.02 OUTLIER 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.545 -0.722 . . . . 0.0 109.801 179.254 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 88' ' ' PHE . . . . . 0.533 ' N ' ' O ' ' B' ' 86' ' ' GLU . 62.8 t80 -76.01 -9.07 58.32 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.159 -0.963 . . . . 0.0 110.445 -179.189 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 54.4 tp10 -62.21 120.59 11.22 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 120.857 -1.152 . . . . 0.0 108.274 179.522 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 90' ' ' HIS . . . . . . . . . . . . . 65.7 t60 -109.86 -80.01 0.58 Allowed 'General case' 0 N--CA 1.5 2.051 0 O-C-N 121.528 -0.733 . . . . 0.0 109.426 -179.18 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 88.1 tt0 . . . . . 0 N--CA 1.492 1.634 0 CA-C-O 117.816 -1.088 . . . . 0.0 109.526 -179.649 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 92' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 93' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' B' B ' 92' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' B' B ' 93' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 95.4 mtp . . . . . 0 N--CA 1.489 1.515 0 N-CA-C 109.255 -0.646 . . . . 0.0 109.255 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 8.9 m -148.12 178.89 8.17 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.331 -0.856 . . . . 0.0 109.42 -179.634 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -59.99 -34.48 73.38 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.218 -0.926 . . . . 0.0 109.858 -179.518 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 7.4 tt -59.87 -44.53 94.12 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.176 -0.952 . . . . 0.0 109.622 -178.454 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 87.5 tt0 -61.16 -42.47 98.62 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.003 -1.061 . . . . 0.0 109.7 179.822 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 77.3 mttt -62.09 -40.0 94.38 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.184 -0.947 . . . . 0.0 109.861 -179.814 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -59.99 -40.0 87.63 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.277 -0.889 . . . . 0.0 109.724 -179.349 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 92.7 mtp -60.08 -40.34 89.2 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 120.986 -1.071 . . . . 0.0 109.201 179.757 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 55.3 t -69.96 -40.03 78.18 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.482 0 O-C-N 121.238 -0.913 . . . . 0.0 109.475 179.334 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -62.43 -40.31 96.15 Favored 'General case' 0 N--CA 1.494 1.773 0 O-C-N 121.215 -0.928 . . . . 0.0 110.672 -179.357 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 60.6 tp -60.09 -43.48 95.51 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.138 -0.976 . . . . 0.0 110.563 -179.261 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 88.2 mt -65.76 -40.08 86.7 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.658 0 O-C-N 121.051 -1.03 . . . . 0.0 110.773 -179.038 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 96.0 m-20 -62.64 -41.93 99.32 Favored 'General case' 0 N--CA 1.497 1.913 0 O-C-N 120.816 -1.178 . . . . 0.0 111.083 -179.08 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 54.5 t -63.4 -40.03 87.53 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.766 0 O-C-N 121.066 -1.021 . . . . 0.0 109.859 -179.506 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' PHE . . . . . 0.472 ' CZ ' HD13 ' A' ' 27' ' ' LEU . 62.0 t80 -60.03 -42.6 94.76 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.328 -0.858 . . . . 0.0 110.541 -178.79 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 51.7 t60 -64.57 -39.97 94.72 Favored 'General case' 0 N--CA 1.495 1.812 0 O-C-N 121.278 -0.889 . . . . 0.0 111.024 -178.868 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 66.2 mm-40 -59.98 -40.05 87.78 Favored 'General case' 0 N--CA 1.498 1.962 0 O-C-N 120.766 -1.209 . . . . 0.0 111.36 -178.669 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 7.3 m-85 -68.53 -35.76 77.89 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 120.792 -1.192 . . . . 0.0 109.857 -179.468 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 5.1 t -60.08 -38.77 83.87 Favored 'General case' 0 C--N 1.299 -1.626 0 O-C-N 121.034 -1.042 . . . . 0.0 110.097 -179.341 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -74.78 7.21 21.64 Favored Glycine 0 N--CA 1.493 2.484 0 C-N-CA 120.173 -1.013 . . . . 0.0 111.326 -178.87 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 8.6 mmm180 -59.96 -50.06 75.23 Favored 'General case' 0 N--CA 1.498 1.949 0 O-C-N 120.557 -1.555 . . . . 0.0 109.537 -179.889 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 74.7 mm-40 -103.28 9.41 38.07 Favored 'General case' 0 N--CA 1.496 1.831 0 O-C-N 121.264 -0.898 . . . . 0.0 109.283 -179.742 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 86.46 1.62 85.71 Favored Glycine 0 N--CA 1.491 2.303 0 N-CA-C 108.873 -1.691 . . . . 0.0 108.873 -179.601 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 89.4 m-20 -85.6 82.79 8.1 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.326 -1.102 . . . . 0.0 108.809 179.886 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 9.4 mtmp? -86.48 90.87 8.36 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.325 -0.859 . . . . 0.0 109.09 -179.89 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 3.2 t-160 -173.22 -60.74 0.02 OUTLIER 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.46 -0.775 . . . . 0.0 109.131 -179.897 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 48.1 pttt -148.69 160.13 43.46 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.498 -0.751 . . . . 0.0 109.324 -179.71 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.472 HD13 ' CZ ' ' A' ' 14' ' ' PHE . 8.2 mp -98.62 136.18 39.07 Favored 'General case' 0 N--CA 1.497 1.916 0 O-C-N 121.207 -0.933 . . . . 0.0 109.716 -179.148 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 16.6 pttp -94.86 169.14 10.35 Favored 'General case' 0 N--CA 1.495 1.799 0 O-C-N 121.492 -0.755 . . . . 0.0 109.278 179.549 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 23.5 pttm -60.09 -35.14 74.54 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.279 -0.888 . . . . 0.0 110.759 -178.804 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 18.7 t -60.05 -42.09 93.74 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 120.739 -1.226 . . . . 0.0 108.629 -179.628 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 -69.99 -32.52 70.76 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.237 -0.914 . . . . 0.0 109.149 178.523 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 12.2 tp -59.98 -39.96 87.48 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.326 -0.859 . . . . 0.0 109.329 -179.434 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 21.0 tptm -58.56 -46.0 87.8 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 120.927 -1.108 . . . . 0.0 109.381 179.88 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 53.6 tp10 -66.56 -44.19 82.98 Favored 'General case' 0 C--N 1.302 -1.458 0 O-C-N 121.039 -1.038 . . . . 0.0 109.761 179.882 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 4.8 tt -60.11 -50.03 75.32 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.305 -0.872 . . . . 0.0 111.043 -179.164 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 93.3 mt -60.69 -45.91 96.76 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.654 0 O-C-N 121.011 -1.056 . . . . 0.0 109.943 -179.266 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 21.1 t-20 -67.3 -44.2 79.82 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 120.99 -1.069 . . . . 0.0 110.048 -179.848 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 21.4 t-20 -67.82 -39.99 83.88 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.409 -0.807 . . . . 0.0 110.977 -178.842 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 46.6 tp10 -80.11 -71.34 0.46 Allowed 'General case' 0 N--CA 1.494 1.731 0 O-C-N 120.975 -1.078 . . . . 0.0 110.626 -178.871 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 18.0 mt -100.86 127.16 47.43 Favored 'General case' 0 N--CA 1.496 1.864 0 O-C-N 121.416 -0.802 . . . . 0.0 109.839 -178.938 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.3 t -139.95 -46.76 0.44 Allowed 'General case' 0 N--CA 1.493 1.687 0 N-CA-C 108.285 -1.005 . . . . 0.0 108.285 178.835 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -60.84 -41.87 96.65 Favored 'General case' 0 N--CA 1.488 1.458 0 O-C-N 121.476 -0.765 . . . . 0.0 109.455 179.767 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 64.4 m-85 -70.0 -39.95 75.58 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 120.971 -1.081 . . . . 0.0 109.27 179.778 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 37.6 mt -128.95 125.77 38.19 Favored 'General case' 0 N--CA 1.5 2.066 0 O-C-N 121.551 -0.718 . . . . 0.0 109.11 179.815 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 15.6 pt-20 -146.92 15.06 1.19 Allowed 'General case' 0 N--CA 1.494 1.766 0 O-C-N 121.07 -1.019 . . . . 0.0 109.347 179.538 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 86.9 tt0 -87.42 -11.95 47.63 Favored 'General case' 0 N--CA 1.494 1.733 0 O-C-N 121.347 -0.845 . . . . 0.0 109.986 -179.59 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 88.4 mt -74.06 128.44 36.38 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.635 0 O-C-N 120.846 -1.159 . . . . 0.0 109.727 -179.772 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 86.2 tttt -150.16 -45.37 0.13 Allowed 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.318 -0.864 . . . . 0.0 109.455 179.528 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 42.2 mt-10 -85.37 147.72 26.37 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.303 -0.873 . . . . 0.0 110.084 -179.348 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 50' ' ' GLN . . . . . 0.691 ' H ' ' NE2' ' A' ' 50' ' ' GLN . 0.0 OUTLIER -69.64 -27.54 65.13 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.51 -0.744 . . . . 0.0 110.001 -179.797 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 36.7 tt0 -59.97 -40.08 87.85 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.25 -0.906 . . . . 0.0 109.942 -179.322 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 54.4 t -61.61 -43.2 96.65 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.67 0 O-C-N 121.161 -0.962 . . . . 0.0 109.899 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 53.2 t -60.14 -39.99 82.16 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.617 0 O-C-N 121.045 -1.034 . . . . 0.0 109.901 -179.424 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 8.2 t70 -60.0 -44.85 94.27 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.132 -0.98 . . . . 0.0 109.817 -179.501 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 36.5 ttpt -60.06 -47.94 83.77 Favored 'General case' 0 C--N 1.301 -1.54 0 O-C-N 121.179 -0.951 . . . . 0.0 109.571 179.686 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 53.4 t -69.94 -40.77 79.1 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.477 0 O-C-N 121.185 -0.947 . . . . 0.0 109.292 -179.833 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 15.9 tpt -60.2 -46.71 88.79 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.282 -0.886 . . . . 0.0 109.924 -179.632 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 43.2 tt0 -60.02 -40.11 88.18 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.251 -0.905 . . . . 0.0 109.915 -179.172 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 88.9 m -62.95 -40.32 97.33 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.293 -0.88 . . . . 0.0 109.717 -179.373 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 6.3 tp -81.43 -14.39 57.14 Favored 'General case' 0 N--CA 1.494 1.766 0 O-C-N 121.222 -0.924 . . . . 0.0 110.057 -179.635 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 61' ' ' ASP . . . . . 0.506 ' OD1' ' N ' ' A' ' 64' ' ' GLY . 58.0 t0 -79.01 97.45 6.09 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 120.886 -1.134 . . . . 0.0 109.726 -179.385 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 86.9 tt0 -82.3 -29.35 31.19 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.345 -0.847 . . . . 0.0 109.471 179.652 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 69.2 m-20 -87.6 -9.23 54.89 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.287 -0.883 . . . . 0.0 109.817 -179.243 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 64' ' ' GLY . . . . . 0.506 ' N ' ' OD1' ' A' ' 61' ' ' ASP . . . 61.69 16.2 50.31 Favored Glycine 0 N--CA 1.489 2.215 0 N-CA-C 109.337 -1.505 . . . . 0.0 109.337 -179.95 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 37.9 p-10 -90.44 -4.22 57.14 Favored 'General case' 0 N--CA 1.494 1.773 0 O-C-N 121.163 -1.198 . . . . 0.0 110.024 -179.79 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 69.94 30.78 69.92 Favored Glycine 0 N--CA 1.493 2.437 0 N-CA-C 110.358 -1.097 . . . . 0.0 110.358 179.081 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -134.94 147.75 49.87 Favored 'General case' 0 N--CA 1.5 2.048 0 O-C-N 121.28 -1.129 . . . . 0.0 109.324 -179.761 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 8.3 t -104.33 114.92 29.47 Favored 'General case' 0 N--CA 1.5 2.047 0 O-C-N 121.454 -0.779 . . . . 0.0 109.485 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 89.5 m-20 -89.13 167.28 13.25 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.469 -0.769 . . . . 0.0 109.542 179.78 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 55.9 t80 -60.01 -45.76 91.69 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.371 -0.83 . . . . 0.0 109.222 179.732 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 64.3 tt0 -60.12 -46.23 90.32 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.219 -0.926 . . . . 0.0 108.647 179.176 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -62.13 -39.68 93.39 Favored 'General case' 0 N--CA 1.489 1.523 0 CA-C-O 121.506 0.67 . . . . 0.0 109.496 -179.942 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 64.2 t80 -59.99 -40.73 90.15 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.412 -0.805 . . . . 0.0 109.745 -179.607 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 20.6 ttm -59.99 -38.3 82.17 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.158 -0.964 . . . . 0.0 109.657 179.329 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -58.87 -39.94 82.87 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.276 -0.89 . . . . 0.0 109.896 -178.909 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 67.6 t80 -59.97 -48.39 81.88 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 120.993 -1.067 . . . . 0.0 108.895 179.49 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 98.8 t -60.9 -38.64 79.69 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.539 0 O-C-N 121.686 -0.634 . . . . 0.0 109.594 179.47 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 23.3 t -58.79 -40.01 82.75 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.319 -0.863 . . . . 0.0 110.43 -178.812 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 52.1 mtt -60.01 -40.0 87.78 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 120.918 -1.114 . . . . 0.0 109.982 -179.543 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 94.6 t -68.48 -40.05 81.56 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.564 0 O-C-N 121.043 -1.036 . . . . 0.0 109.857 -179.753 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 81' ' ' THR . . . . . 0.501 ' O ' ' SG ' ' A' ' 84' ' ' CYS . 66.9 p -68.0 -40.01 83.12 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.083 -1.011 . . . . 0.0 110.605 -179.438 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 28.4 p -60.07 -39.92 87.73 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 120.836 -1.165 . . . . 0.0 109.504 -179.774 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -61.2 -29.14 69.63 Favored 'General case' 0 C--N 1.302 -1.484 0 O-C-N 121.303 -0.873 . . . . 0.0 109.79 -179.866 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 84' ' ' CYS . . . . . 0.501 ' SG ' ' O ' ' A' ' 81' ' ' THR . 1.5 p -66.41 138.25 57.44 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.187 -0.946 . . . . 0.0 110.084 -179.271 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 85' ' ' HIS . . . . . 0.529 ' O ' ' ND1' ' A' ' 85' ' ' HIS . 42.1 t-80 -108.15 25.3 11.78 Favored 'General case' 0 N--CA 1.501 2.088 0 O-C-N 121.514 -0.742 . . . . 0.0 109.29 179.711 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 86' ' ' GLU . . . . . 0.456 ' CB ' ' O ' ' A' ' 85' ' ' HIS . 7.0 tm-20 77.16 -28.17 0.17 Allowed 'General case' 0 N--CA 1.498 1.929 0 O-C-N 121.494 -0.754 . . . . 0.0 109.299 -179.871 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 87' ' ' PHE . . . . . 0.52 ' O ' ' CD2' ' A' ' 87' ' ' PHE . 61.7 t80 -87.1 -8.89 56.58 Favored 'General case' 0 N--CA 1.489 1.511 0 N-CA-C 108.451 -0.944 . . . . 0.0 108.451 178.954 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 88' ' ' PHE . . . . . 0.52 ' CZ ' ' OE2' ' A' ' 91' ' ' GLU . 38.6 t80 -72.1 88.75 1.12 Allowed 'General case' 0 N--CA 1.488 1.444 0 N-CA-C 108.78 -0.822 . . . . 0.0 108.78 -179.86 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 89' ' ' GLU . . . . . 0.507 ' OE2' ' NE2' ' A' ' 90' ' ' HIS . 39.0 tt0 -144.61 -91.39 0.1 Allowed 'General case' 0 N--CA 1.495 1.799 0 N-CA-C 108.719 -0.845 . . . . 0.0 108.719 179.944 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 90' ' ' HIS . . . . . 0.507 ' NE2' ' OE2' ' A' ' 89' ' ' GLU . 94.7 m-70 -63.25 138.27 58.48 Favored 'General case' 0 N--CA 1.488 1.463 0 O-C-N 121.267 -0.896 . . . . 0.0 108.889 179.674 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 91' ' ' GLU . . . . . 0.52 ' OE2' ' CZ ' ' A' ' 88' ' ' PHE . 98.1 mt-10 . . . . . 0 N--CA 1.496 1.865 0 CA-C-O 118.019 -0.991 . . . . 0.0 109.267 -179.838 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 0' ' ' MET . . . . . . . . . . . . . 96.8 mtp . . . . . 0 N--CA 1.489 1.493 0 CA-C-O 121.395 0.617 . . . . 0.0 109.416 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 14.4 m -148.58 178.85 8.27 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.442 -0.786 . . . . 0.0 109.416 -179.555 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 95.0 mt-10 -59.97 -35.03 74.13 Favored 'General case' 0 N--CA 1.494 1.748 0 O-C-N 121.195 -0.941 . . . . 0.0 109.876 -179.914 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 7.6 tt -59.62 -44.48 93.44 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.279 -0.888 . . . . 0.0 109.641 -178.509 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 85.7 tt0 -61.02 -42.71 98.98 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.108 -0.995 . . . . 0.0 109.722 179.762 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 79.7 mttt -62.11 -40.03 94.51 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.262 -0.898 . . . . 0.0 109.813 -179.711 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -59.91 -40.05 87.5 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.3 -0.875 . . . . 0.0 109.889 -179.447 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 7' ' ' MET . . . . . . . . . . . . . 93.3 mtp -60.04 -40.77 90.54 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 120.998 -1.064 . . . . 0.0 109.096 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 54.4 t -69.6 -40.08 79.08 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.509 0 O-C-N 121.239 -0.913 . . . . 0.0 109.388 179.616 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -62.52 -40.45 96.79 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.274 -0.891 . . . . 0.0 110.79 -179.293 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 60.5 tp -60.04 -42.86 95.34 Favored 'General case' 0 N--CA 1.494 1.771 0 O-C-N 121.097 -1.002 . . . . 0.0 110.47 -179.366 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 96.6 mt -66.1 -40.28 86.73 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.725 0 O-C-N 121.076 -1.015 . . . . 0.0 110.836 -178.931 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 96.3 m-20 -62.64 -41.99 99.34 Favored 'General case' 0 N--CA 1.496 1.826 0 O-C-N 121.006 -1.059 . . . . 0.0 110.961 -179.237 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 54.5 t -63.37 -40.01 87.42 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.749 0 O-C-N 121.095 -1.003 . . . . 0.0 110.053 -179.616 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 14' ' ' PHE . . . . . 0.485 ' CZ ' HD13 ' B' ' 27' ' ' LEU . 62.3 t80 -60.02 -41.9 93.18 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.278 -0.889 . . . . 0.0 110.583 -179.058 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 48.3 t60 -65.09 -39.93 93.88 Favored 'General case' 0 N--CA 1.496 1.85 0 O-C-N 121.188 -0.945 . . . . 0.0 111.16 -178.946 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 67.9 mm-40 -60.03 -40.09 88.16 Favored 'General case' 0 N--CA 1.499 2.023 0 O-C-N 120.906 -1.121 . . . . 0.0 111.274 -178.538 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 7.9 m-85 -68.45 -35.94 78.31 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 120.844 -1.16 . . . . 0.0 109.982 -179.44 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 5.1 t -60.03 -38.16 81.92 Favored 'General case' 0 C--N 1.299 -1.602 0 O-C-N 121.052 -1.03 . . . . 0.0 110.022 -179.324 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -75.02 6.78 25.64 Favored Glycine 0 N--CA 1.494 2.566 0 C-N-CA 120.249 -0.977 . . . . 0.0 111.279 -178.852 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 8.9 mmm180 -60.02 -50.06 75.21 Favored 'General case' 0 N--CA 1.498 1.959 0 O-C-N 120.542 -1.563 . . . . 0.0 109.65 -179.835 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 75.0 mm-40 -103.19 9.41 38.26 Favored 'General case' 0 N--CA 1.497 1.881 0 O-C-N 121.372 -0.83 . . . . 0.0 109.322 -179.849 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . 86.76 0.83 85.72 Favored Glycine 0 N--CA 1.491 2.306 0 N-CA-C 108.872 -1.691 . . . . 0.0 108.872 -179.449 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 91.9 m-20 -84.62 82.46 8.41 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.435 -1.038 . . . . 0.0 108.894 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 9.6 mtmp? -86.65 91.0 8.45 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.224 -0.922 . . . . 0.0 109.148 -179.857 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 25' ' ' HIS . . . . . . . . . . . . . 3.2 t-160 -173.31 -60.46 0.02 OUTLIER 'General case' 0 N--CA 1.488 1.47 0 O-C-N 121.397 -0.815 . . . . 0.0 109.093 -179.939 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 45.1 pttt -148.82 160.09 43.55 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.45 -0.781 . . . . 0.0 109.248 -179.636 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 27' ' ' LEU . . . . . 0.485 HD13 ' CZ ' ' B' ' 14' ' ' PHE . 8.4 mp -98.67 135.72 39.77 Favored 'General case' 0 N--CA 1.499 2.013 0 O-C-N 121.266 -0.896 . . . . 0.0 109.637 -179.143 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 16.4 pttp -94.49 169.4 10.23 Favored 'General case' 0 N--CA 1.496 1.852 0 O-C-N 121.374 -0.829 . . . . 0.0 109.325 179.548 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 24.0 pttm -60.03 -35.4 75.01 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.327 -0.858 . . . . 0.0 110.809 -178.969 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 16.0 t -59.95 -41.97 93.03 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 120.772 -1.205 . . . . 0.0 108.737 -179.624 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -69.9 -32.6 71.01 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.182 -0.949 . . . . 0.0 109.184 178.421 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 14.1 tp -59.94 -40.04 87.59 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.355 -0.841 . . . . 0.0 109.312 -179.388 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 21.3 tptm -58.59 -46.39 87.07 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 120.909 -1.12 . . . . 0.0 109.278 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 53.2 tp10 -66.09 -44.42 84.47 Favored 'General case' 0 C--N 1.3 -1.561 0 O-C-N 121.04 -1.038 . . . . 0.0 109.754 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 5.3 tt -59.97 -49.97 75.6 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.302 -0.874 . . . . 0.0 111.142 -179.015 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 95.6 mt -61.17 -45.2 99.04 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.654 0 O-C-N 120.943 -1.098 . . . . 0.0 109.785 -179.222 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 21.0 t-20 -67.83 -43.66 79.06 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.066 -1.022 . . . . 0.0 109.978 -179.882 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 21.7 t-20 -68.36 -40.03 81.61 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.481 -0.762 . . . . 0.0 110.968 -178.799 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 47.1 tp10 -80.0 -71.24 0.46 Allowed 'General case' 0 N--CA 1.493 1.675 0 O-C-N 120.933 -1.104 . . . . 0.0 110.597 -178.808 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 19.5 mt -100.95 126.95 47.63 Favored 'General case' 0 N--CA 1.495 1.801 0 O-C-N 121.423 -0.798 . . . . 0.0 109.96 -178.938 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 1.3 t -139.95 -46.64 0.44 Allowed 'General case' 0 N--CA 1.494 1.734 0 N-CA-C 108.445 -0.946 . . . . 0.0 108.445 178.802 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 42' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -61.04 -41.83 97.32 Favored 'General case' 0 N--CA 1.487 1.422 0 O-C-N 121.553 -0.717 . . . . 0.0 109.528 179.732 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 65.1 m-85 -69.95 -40.03 75.69 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 120.992 -1.068 . . . . 0.0 109.261 179.652 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 50.4 mt -128.53 125.95 39.4 Favored 'General case' 0 N--CA 1.499 1.991 0 N-CA-C 109.117 -0.697 . . . . 0.0 109.117 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 15.2 pt-20 -147.49 15.35 1.12 Allowed 'General case' 0 N--CA 1.494 1.757 0 O-C-N 121.067 -1.021 . . . . 0.0 109.297 179.581 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 86.8 tt0 -87.7 -12.19 46.08 Favored 'General case' 0 N--CA 1.494 1.745 0 O-C-N 121.375 -0.828 . . . . 0.0 110.052 -179.625 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 91.9 mt -73.86 128.33 36.21 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.651 0 O-C-N 120.936 -1.103 . . . . 0.0 109.649 -179.722 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 86.3 tttt -149.55 -45.76 0.14 Allowed 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.296 -0.877 . . . . 0.0 109.457 179.419 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 41.8 mt-10 -85.28 148.12 26.21 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.188 -0.945 . . . . 0.0 110.214 -179.271 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 50' ' ' GLN . . . . . 0.686 ' NE2' ' H ' ' B' ' 50' ' ' GLN . 0.0 OUTLIER -69.69 -27.58 65.12 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.628 -0.67 . . . . 0.0 109.947 -179.781 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 37.8 tt0 -60.09 -40.01 88.12 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.347 -0.846 . . . . 0.0 109.896 -179.151 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 54.1 t -61.91 -43.06 96.94 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.552 0 O-C-N 121.126 -0.984 . . . . 0.0 109.836 -179.815 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 53.7 t -60.02 -40.0 81.92 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.624 0 O-C-N 121.142 -0.974 . . . . 0.0 109.832 -179.486 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 8.9 t70 -59.98 -45.15 93.62 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.111 -0.993 . . . . 0.0 109.98 -179.538 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 36.5 ttpt -60.1 -47.77 84.49 Favored 'General case' 0 C--N 1.302 -1.484 0 O-C-N 121.166 -0.959 . . . . 0.0 109.541 179.772 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 53.0 t -69.82 -41.03 79.66 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.492 0 O-C-N 121.252 -0.905 . . . . 0.0 109.357 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 57' ' ' MET . . . . . . . . . . . . . 15.9 tpt -60.35 -46.41 90.04 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.284 -0.885 . . . . 0.0 109.896 -179.635 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 42.2 tt0 -60.05 -40.08 88.2 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.292 -0.88 . . . . 0.0 109.982 -179.264 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 92.1 m -63.26 -40.12 96.51 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.229 -0.92 . . . . 0.0 109.828 -179.283 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 5.9 tp -81.31 -14.67 57.08 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.277 -0.89 . . . . 0.0 110.005 -179.691 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 61' ' ' ASP . . . . . 0.513 ' OD1' ' N ' ' B' ' 64' ' ' GLY . 60.6 t0 -79.14 98.01 6.4 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 120.794 -1.191 . . . . 0.0 109.66 -179.45 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 86.8 tt0 -83.07 -28.67 29.39 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.41 -0.806 . . . . 0.0 109.419 179.803 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 69.5 m-20 -88.12 -8.9 54.76 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.255 -0.903 . . . . 0.0 109.73 -179.405 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 64' ' ' GLY . . . . . 0.513 ' N ' ' OD1' ' B' ' 61' ' ' ASP . . . 61.33 16.46 49.49 Favored Glycine 0 N--CA 1.489 2.217 0 N-CA-C 109.364 -1.494 . . . . 0.0 109.364 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 37.8 p-10 -90.56 -3.99 57.19 Favored 'General case' 0 N--CA 1.494 1.753 0 O-C-N 121.261 -1.14 . . . . 0.0 109.891 -179.785 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 69.99 30.34 70.12 Favored Glycine 0 N--CA 1.493 2.481 0 C-N-CA 119.978 -1.106 . . . . 0.0 110.395 179.079 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 98.1 mt-10 -134.78 148.1 50.14 Favored 'General case' 0 N--CA 1.498 1.929 0 O-C-N 121.167 -1.196 . . . . 0.0 109.469 -179.786 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 68' ' ' CYS . . . . . . . . . . . . . 8.0 t -104.47 114.74 29.17 Favored 'General case' 0 N--CA 1.499 2.0 0 O-C-N 121.383 -0.823 . . . . 0.0 109.57 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 89.6 m-20 -89.15 167.63 12.96 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.339 -0.851 . . . . 0.0 109.516 179.873 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 58.1 t80 -59.99 -46.03 90.8 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.196 -0.94 . . . . 0.0 109.186 179.637 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 65.2 tt0 -60.12 -46.03 91.0 Favored 'General case' 0 N--CA 1.49 1.559 0 N-CA-C 108.497 -0.927 . . . . 0.0 108.497 179.375 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 99.2 mt-10 -62.55 -39.39 93.46 Favored 'General case' 0 C--N 1.303 -1.429 0 CA-C-O 121.431 0.634 . . . . 0.0 109.557 -179.898 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 73' ' ' PHE . . . . . . . . . . . . . 58.6 t80 -60.03 -40.81 90.64 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.425 -0.797 . . . . 0.0 109.736 -179.541 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 74' ' ' MET . . . . . . . . . . . . . 21.6 ttm -60.07 -38.19 82.13 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.259 -0.901 . . . . 0.0 109.702 179.474 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -58.83 -40.04 83.02 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.262 -0.899 . . . . 0.0 109.879 -179.063 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 66.2 t80 -60.02 -48.12 83.03 Favored 'General case' 0 C--N 1.302 -1.46 0 O-C-N 120.935 -1.103 . . . . 0.0 108.841 179.563 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 77' ' ' VAL . . . . . . . . . . . . . 84.2 t -61.01 -38.68 80.04 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.528 0 O-C-N 121.711 -0.618 . . . . 0.0 109.568 179.344 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 78' ' ' SER . . . . . . . . . . . . . 18.5 t -58.65 -39.94 82.04 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.203 -0.936 . . . . 0.0 110.4 -178.832 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 79' ' ' MET . . . . . . . . . . . . . 53.6 mtt -60.14 -39.91 87.97 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 120.951 -1.093 . . . . 0.0 110.017 -179.542 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 97.1 t -68.49 -40.05 81.55 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.517 0 O-C-N 120.924 -1.11 . . . . 0.0 109.881 -179.813 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 81' ' ' THR . . . . . 0.514 ' O ' ' SG ' ' B' ' 84' ' ' CYS . 61.5 p -68.22 -39.94 82.23 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 121.174 -0.954 . . . . 0.0 110.6 -179.352 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 30.0 p -60.1 -39.54 86.51 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 120.73 -1.231 . . . . 0.0 109.408 -179.769 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -61.43 -29.04 69.69 Favored 'General case' 0 C--N 1.299 -1.593 0 O-C-N 121.487 -0.758 . . . . 0.0 109.818 -179.839 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 84' ' ' CYS . . . . . 0.514 ' SG ' ' O ' ' B' ' 81' ' ' THR . 1.8 p -66.67 138.89 57.75 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.119 -0.988 . . . . 0.0 110.127 -179.308 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 85' ' ' HIS . . . . . 0.516 ' O ' ' ND1' ' B' ' 85' ' ' HIS . 39.8 t-80 -108.27 25.22 11.9 Favored 'General case' 0 N--CA 1.499 1.998 0 O-C-N 121.588 -0.695 . . . . 0.0 109.236 179.663 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 86' ' ' GLU . . . . . 0.459 ' CB ' ' O ' ' B' ' 85' ' ' HIS . 7.0 tm-20 76.98 -27.91 0.18 Allowed 'General case' 0 N--CA 1.496 1.852 0 O-C-N 121.494 -0.754 . . . . 0.0 109.276 -179.646 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 87' ' ' PHE . . . . . 0.511 ' O ' ' CD2' ' B' ' 87' ' ' PHE . 61.2 t80 -87.4 -8.97 55.96 Favored 'General case' 0 N--CA 1.49 1.569 0 N-CA-C 108.409 -0.959 . . . . 0.0 108.409 179.098 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 88' ' ' PHE . . . . . 0.511 ' CZ ' ' OE2' ' B' ' 91' ' ' GLU . 38.7 t80 -71.75 86.68 0.95 Allowed 'General case' 0 N--CA 1.487 1.42 0 N-CA-C 109.036 -0.728 . . . . 0.0 109.036 -179.869 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 89' ' ' GLU . . . . . 0.516 ' OE2' ' NE2' ' B' ' 90' ' ' HIS . 39.4 tt0 -142.72 -93.27 0.12 Allowed 'General case' 0 N--CA 1.496 1.844 0 N-CA-C 108.47 -0.937 . . . . 0.0 108.47 179.932 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 90' ' ' HIS . . . . . 0.516 ' NE2' ' OE2' ' B' ' 89' ' ' GLU . 89.9 m-70 -60.93 140.01 57.86 Favored 'General case' 0 N--CA 1.488 1.454 0 O-C-N 121.046 -1.034 . . . . 0.0 109.167 179.276 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 91' ' ' GLU . . . . . 0.511 ' OE2' ' CZ ' ' B' ' 88' ' ' PHE . 98.3 mt-10 . . . . . 0 N--CA 1.496 1.831 0 CA-C-O 118.072 -0.966 . . . . 0.0 109.248 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 92' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 93' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' B' B ' 92' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' B' B ' 93' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 29.2 t . . . . . 0 N--CA 1.49 1.539 0 CA-C-O 121.531 0.682 . . . . 0.0 109.759 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 13.6 tm-20 -60.03 -36.15 76.65 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.604 -0.685 . . . . 0.0 109.932 -179.72 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . 0.501 ' CD2' ' N ' ' A' ' 3' ' ' LEU . 3.2 mm? -59.11 -39.07 81.12 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.319 -0.863 . . . . 0.0 109.799 -179.02 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 70.8 mm-40 -60.0 -40.41 89.13 Favored 'General case' 0 C--N 1.301 -1.543 0 O-C-N 120.799 -1.188 . . . . 0.0 109.359 -179.739 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 38.6 ttpt -69.97 -40.03 75.62 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 120.987 -1.07 . . . . 0.0 109.984 179.37 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -69.59 -40.49 76.67 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.3 -0.875 . . . . 0.0 110.097 -179.14 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 6.7 mmt -61.47 -40.44 94.55 Favored 'General case' 0 N--CA 1.486 1.363 0 O-C-N 121.044 -1.035 . . . . 0.0 108.766 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 79.3 t -69.92 -41.98 79.64 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.442 0 O-C-N 121.423 -0.798 . . . . 0.0 109.536 179.44 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -66.42 -42.42 87.79 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.309 -0.869 . . . . 0.0 110.33 -179.333 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 63.4 tp -60.0 -50.04 75.31 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.043 -1.036 . . . . 0.0 109.256 -179.935 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 93.4 mt -70.3 -40.84 78.35 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.593 0 O-C-N 121.268 -0.895 . . . . 0.0 110.551 179.865 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 62.2 t0 -60.05 -47.57 85.32 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.347 -0.845 . . . . 0.0 110.73 -178.584 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 54.3 t -60.2 -42.52 90.57 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.523 0 O-C-N 121.091 -1.006 . . . . 0.0 110.049 -178.812 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 64.9 t80 -59.95 -44.86 94.14 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.141 -0.974 . . . . 0.0 110.665 -179.545 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 11.0 t-80 -63.85 -52.12 61.54 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.022 -1.049 . . . . 0.0 110.544 -178.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 28.5 mt-30 -69.96 -40.05 75.64 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.379 -0.825 . . . . 0.0 111.301 -178.859 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 24.0 t80 -69.92 -43.44 71.65 Favored 'General case' 0 N--CA 1.495 1.793 0 O-C-N 121.007 -1.058 . . . . 0.0 110.586 -178.468 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 54.3 p -75.02 -19.92 59.84 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.274 -0.891 . . . . 0.0 110.235 -179.415 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -77.29 -2.3 78.56 Favored Glycine 0 N--CA 1.493 2.468 0 C-N-CA 120.111 -1.043 . . . . 0.0 110.841 -178.752 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . 0.543 ' NH2' ' OE1' ' A' ' 34' ' ' GLU . 38.9 ttp180 -60.01 -41.75 92.83 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 120.825 -1.397 . . . . 0.0 109.636 -179.673 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.452 ' OE1' ' N ' ' A' ' 21' ' ' GLU . 3.1 mp0 -100.97 164.98 11.56 Favored 'General case' 0 N--CA 1.495 1.803 0 O-C-N 121.31 -0.869 . . . . 0.0 109.497 -179.499 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -55.76 -16.6 12.32 Favored Glycine 0 N--CA 1.491 2.312 0 N-CA-C 109.628 -1.389 . . . . 0.0 109.628 179.895 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 74.1 m-20 -85.15 104.54 15.13 Favored 'General case' 0 N--CA 1.494 1.757 0 O-C-N 121.184 -1.186 . . . . 0.0 108.716 179.822 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 8.9 ptpp? -107.81 -16.78 14.24 Favored 'General case' 0 N--CA 1.497 1.91 0 O-C-N 121.48 -0.762 . . . . 0.0 110.369 -179.574 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 2.4 t60 -99.96 -7.15 25.5 Favored 'General case' 0 N--CA 1.499 1.979 0 O-C-N 121.148 -0.97 . . . . 0.0 111.436 -178.481 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 40.8 pttt -149.35 160.0 43.79 Favored 'General case' 0 N--CA 1.5 2.034 0 O-C-N 120.654 -1.279 . . . . 0.0 110.55 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 1.5 tp -106.06 135.38 47.63 Favored 'General case' 0 N--CA 1.499 1.996 0 N-CA-C 108.996 -0.742 . . . . 0.0 108.996 -179.477 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 37.4 mmtm -94.84 166.42 11.99 Favored 'General case' 0 N--CA 1.499 2.0 0 O-C-N 121.229 -0.919 . . . . 0.0 110.8 -179.324 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 34.6 mttp -60.99 -41.16 95.95 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.805 -0.56 . . . . 0.0 110.922 -178.671 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 71.7 p -67.17 -40.44 86.6 Favored 'General case' 0 N--CA 1.495 1.799 0 O-C-N 121.052 -1.03 . . . . 0.0 110.462 -178.43 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 39.6 tt0 -61.76 -36.54 81.34 Favored 'General case' 0 C--N 1.3 -1.565 0 O-C-N 121.107 -0.996 . . . . 0.0 109.455 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 56.2 tp -59.92 -43.62 94.81 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.231 -0.918 . . . . 0.0 109.809 -179.343 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 24.4 ttpp -60.18 -41.89 93.85 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 120.926 -1.109 . . . . 0.0 109.276 179.597 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . 0.543 ' OE1' ' NH2' ' A' ' 20' ' ' ARG . 98.8 mt-10 -62.25 -40.09 95.02 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.38 -0.825 . . . . 0.0 110.402 -179.722 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 42.1 tp -59.92 -48.71 80.58 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.172 -0.955 . . . . 0.0 109.179 -178.521 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 88.4 mt -65.38 -39.98 86.95 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.554 0 O-C-N 121.196 -0.94 . . . . 0.0 109.386 179.714 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -69.27 -23.21 63.81 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.439 -0.788 . . . . 0.0 110.758 -179.324 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 1.1 t30 -48.93 -75.76 0.03 OUTLIER 'General case' 0 N--CA 1.494 1.765 0 O-C-N 120.888 -1.133 . . . . 0.0 110.006 -178.937 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 25.0 tp10 -163.04 19.7 0.08 Allowed 'General case' 0 N--CA 1.493 1.686 0 O-C-N 120.877 -1.139 . . . . 0.0 109.367 179.821 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 85.0 mt -91.91 8.12 38.91 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.116 -0.99 . . . . 0.0 108.832 -179.729 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . 0.412 ' O ' ' O ' ' A' ' 44' ' ' LEU . 83.8 p -60.31 -13.64 13.98 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.615 -0.678 . . . . 0.0 110.036 -179.642 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 38.4 t-80 -59.95 -47.7 84.73 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.031 -1.043 . . . . 0.0 109.641 -179.67 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 85.7 m-85 -70.04 -39.97 75.43 Favored 'General case' 0 N--CA 1.488 1.457 0 O-C-N 121.22 -0.925 . . . . 0.0 109.583 179.899 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.412 ' O ' ' O ' ' A' ' 41' ' ' SER . 66.6 mt -123.78 130.08 52.07 Favored 'General case' 0 N--CA 1.502 2.16 0 O-C-N 121.564 -0.71 . . . . 0.0 109.557 -179.471 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 57.0 tt0 -130.36 26.8 5.09 Favored 'General case' 0 N--CA 1.503 2.181 0 O-C-N 121.139 -0.975 . . . . 0.0 109.049 179.599 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 6.2 tp10 -101.69 12.91 36.33 Favored 'General case' 0 N--CA 1.501 2.084 0 O-C-N 121.3 -0.875 . . . . 0.0 110.649 -179.043 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 40.3 mm -73.75 127.8 35.83 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.797 0 O-C-N 120.621 -1.299 . . . . 0.0 109.66 -179.416 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -159.0 -61.07 0.07 Allowed 'General case' 0 N--CA 1.496 1.869 0 N-CA-C 108.764 -0.828 . . . . 0.0 108.764 179.504 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -100.71 153.87 19.08 Favored 'General case' 0 N--CA 1.495 1.78 0 O-C-N 121.324 -0.86 . . . . 0.0 108.741 179.303 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 59.4 mt-30 -60.07 -28.05 67.48 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.317 -0.865 . . . . 0.0 110.504 -179.559 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 1.6 pp20? -59.99 -33.08 71.47 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.017 -1.052 . . . . 0.0 110.156 -179.024 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 54.4 t -59.98 -46.76 93.71 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.651 0 O-C-N 121.023 -1.048 . . . . 0.0 109.172 -179.762 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 54.6 t -60.12 -45.53 95.65 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.497 0 O-C-N 121.274 -0.891 . . . . 0.0 109.066 179.764 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 63.0 t0 -61.38 -46.72 89.0 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.39 -0.819 . . . . 0.0 109.974 -179.714 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 34.9 tttm -60.14 -43.21 95.89 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.129 -0.982 . . . . 0.0 108.895 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 52.1 t -69.6 -39.98 78.97 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.568 0 O-C-N 121.659 -0.651 . . . . 0.0 110.115 179.765 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' MET . . . . . 0.461 ' O ' HD23 ' A' ' 60' ' ' LEU . 27.3 ttt -59.96 -40.08 87.84 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.249 -0.907 . . . . 0.0 109.888 -178.601 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 86.1 tt0 -63.03 -35.07 79.01 Favored 'General case' 0 C--N 1.298 -1.636 0 O-C-N 121.024 -1.047 . . . . 0.0 109.851 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 59.9 m -60.03 -45.23 93.48 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.318 -0.864 . . . . 0.0 111.376 -177.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.461 HD23 ' O ' ' A' ' 57' ' ' MET . 0.3 OUTLIER -81.71 -8.52 59.71 Favored 'General case' 0 N--CA 1.502 2.166 0 O-C-N 120.583 -1.323 . . . . 0.0 110.266 -179.212 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . 0.417 ' N ' HD23 ' A' ' 60' ' ' LEU . 79.8 m-20 -76.42 118.17 18.83 Favored 'General case' 0 N--CA 1.495 1.792 0 O-C-N 120.978 -1.076 . . . . 0.0 109.626 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 67.2 mm-40 -94.92 -42.79 8.49 Favored 'General case' 0 N--CA 1.496 1.87 0 O-C-N 121.263 -0.898 . . . . 0.0 109.945 -179.812 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 43.4 p-10 -101.88 0.97 36.39 Favored 'General case' 0 N--CA 1.497 1.908 0 O-C-N 121.339 -0.85 . . . . 0.0 110.062 -179.441 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 49.71 51.48 28.25 Favored Glycine 0 N--CA 1.492 2.393 0 N-CA-C 109.337 -1.505 . . . . 0.0 109.337 179.829 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 38.5 p-10 -84.76 -6.98 59.37 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.242 -1.152 . . . . 0.0 110.219 -179.335 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 88.9 -7.27 82.52 Favored Glycine 0 N--CA 1.494 2.564 0 N-CA-C 109.845 -1.302 . . . . 0.0 109.845 179.618 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 21.4 pt-20 -139.77 159.09 42.96 Favored 'General case' 0 N--CA 1.495 1.79 0 O-C-N 121.148 -1.207 . . . . 0.0 108.775 -179.847 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -112.69 112.99 24.89 Favored 'General case' 0 N--CA 1.499 1.995 0 O-C-N 121.421 -0.799 . . . . 0.0 109.722 -179.298 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 90.1 m-20 -90.54 -177.36 5.02 Favored 'General case' 0 N--CA 1.495 1.782 0 O-C-N 121.513 -0.742 . . . . 0.0 109.436 179.548 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 66.9 t80 -59.99 -40.28 88.66 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.41 -0.806 . . . . 0.0 110.712 -179.642 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 1.5 tm0? -59.96 -43.84 94.8 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.005 -1.059 . . . . 0.0 109.793 -179.716 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 69.6 mt-10 -64.86 -35.31 80.71 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.088 -1.007 . . . . 0.0 110.104 -179.813 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 50.2 t80 -58.48 -40.01 81.56 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.171 -0.956 . . . . 0.0 109.261 -179.685 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 91.2 mmm -59.98 -38.31 82.17 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.11 -0.994 . . . . 0.0 109.125 179.306 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -58.34 -40.1 81.24 Favored 'General case' 0 N--CA 1.488 1.453 0 O-C-N 121.293 -0.879 . . . . 0.0 109.576 -179.322 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 70.8 t80 -60.04 -40.01 87.9 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.045 -1.035 . . . . 0.0 109.971 179.514 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 61.1 t -59.99 -42.44 89.58 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.506 0 O-C-N 121.121 -0.987 . . . . 0.0 108.845 -179.892 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 81.1 p -61.14 -39.28 89.45 Favored 'General case' 0 N--CA 1.488 1.439 0 O-C-N 121.36 -0.838 . . . . 0.0 108.936 179.036 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 49.3 ttm -60.03 -40.24 88.67 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.65 -0.656 . . . . 0.0 110.498 -179.429 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 64.6 t -67.41 -41.27 86.03 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.666 0 O-C-N 120.936 -1.103 . . . . 0.0 110.278 -179.21 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 81.8 p -69.14 -41.71 76.96 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.061 -1.024 . . . . 0.0 110.772 -178.734 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 82.6 p -71.22 -40.06 71.33 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.087 -1.008 . . . . 0.0 109.74 -179.899 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -69.94 -40.04 75.71 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.327 -0.858 . . . . 0.0 110.68 -179.653 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 15.5 p -67.71 146.61 53.62 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.153 -0.967 . . . . 0.0 110.317 -178.872 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 76.6 m80 -82.22 162.58 22.31 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.469 -0.769 . . . . 0.0 109.824 179.703 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . 0.533 ' C ' ' H ' ' A' ' 88' ' ' PHE . 99.2 mt-10 -89.43 -0.08 57.23 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.38 -0.825 . . . . 0.0 109.229 179.746 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 34.4 t80 -67.47 17.44 0.03 OUTLIER 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.318 -0.864 . . . . 0.0 110.052 -179.492 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . 0.533 ' H ' ' C ' ' A' ' 86' ' ' GLU . 7.6 m-85 . . . . . 0 N--CA 1.492 1.656 0 O-C-N 121.067 -1.021 . . . . 0.0 109.006 179.49 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 31.2 t . . . . . 0 N--CA 1.489 1.484 0 CA-C-O 121.572 0.701 . . . . 0.0 109.596 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 13.6 tm-20 -60.0 -36.45 77.23 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.517 -0.739 . . . . 0.0 109.867 -179.735 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 3' ' ' LEU . . . . . 0.484 ' CD2' ' N ' ' B' ' 3' ' ' LEU . 3.3 mm? -58.71 -39.25 80.28 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.455 -0.778 . . . . 0.0 109.915 -178.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 70.3 mm-40 -59.99 -40.57 89.62 Favored 'General case' 0 C--N 1.3 -1.549 0 O-C-N 120.755 -1.216 . . . . 0.0 109.346 -179.867 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 38.8 ttpt -69.98 -39.97 75.62 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 120.875 -1.141 . . . . 0.0 109.903 179.501 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -69.63 -40.14 76.74 Favored 'General case' 0 N--CA 1.494 1.736 0 O-C-N 121.193 -0.942 . . . . 0.0 110.13 -179.241 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 7' ' ' MET . . . . . . . . . . . . . 6.8 mmt -61.87 -40.22 94.62 Favored 'General case' 0 C--N 1.303 -1.418 0 O-C-N 121.126 -0.983 . . . . 0.0 108.749 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 53.1 t -70.14 -42.05 79.09 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.392 0 O-C-N 121.537 -0.727 . . . . 0.0 109.489 179.419 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -66.69 -42.27 86.76 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.205 -0.934 . . . . 0.0 110.256 -179.34 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 61.9 tp -59.98 -50.07 75.21 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.047 -1.033 . . . . 0.0 109.268 -179.926 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 93.2 mt -70.01 -41.09 79.23 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.681 0 O-C-N 121.299 -0.876 . . . . 0.0 110.549 179.683 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 62.1 t0 -59.99 -47.35 86.19 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.181 -0.95 . . . . 0.0 110.835 -178.641 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 58.7 t -60.31 -42.51 90.92 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.526 0 O-C-N 121.179 -0.951 . . . . 0.0 110.055 -178.861 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 14' ' ' PHE . . . . . . . . . . . . . 63.9 t80 -60.07 -44.56 94.66 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.03 -1.044 . . . . 0.0 110.591 -179.536 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 11.0 t-80 -64.04 -52.21 60.49 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.07 -1.019 . . . . 0.0 110.475 -178.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 28.5 mt-30 -69.98 -39.95 75.65 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.275 -0.891 . . . . 0.0 111.292 -178.829 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 24.3 t80 -69.59 -43.68 72.31 Favored 'General case' 0 N--CA 1.495 1.78 0 O-C-N 121.04 -1.038 . . . . 0.0 110.572 -178.594 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 53.6 p -74.97 -20.0 59.85 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.213 -0.929 . . . . 0.0 110.292 -179.174 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -77.51 -2.07 78.74 Favored Glycine 0 N--CA 1.49 2.265 0 C-N-CA 120.086 -1.054 . . . . 0.0 110.937 -178.867 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 20' ' ' ARG . . . . . 0.539 ' NH2' ' OE1' ' B' ' 34' ' ' GLU . 38.9 ttp180 -60.05 -41.8 93.11 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 120.735 -1.45 . . . . 0.0 109.627 -179.826 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 21' ' ' GLU . . . . . 0.429 ' OE1' ' N ' ' B' ' 21' ' ' GLU . 3.2 mp0 -100.42 165.64 11.35 Favored 'General case' 0 N--CA 1.496 1.862 0 O-C-N 121.327 -0.858 . . . . 0.0 109.486 -179.489 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . -56.34 -16.76 16.0 Favored Glycine 0 N--CA 1.489 2.2 0 N-CA-C 109.556 -1.418 . . . . 0.0 109.556 179.755 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 74.6 m-20 -85.12 104.97 15.49 Favored 'General case' 0 N--CA 1.494 1.756 0 O-C-N 121.076 -1.249 . . . . 0.0 108.77 179.772 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 8.8 ptpp? -108.37 -16.36 14.25 Favored 'General case' 0 N--CA 1.498 1.926 0 O-C-N 121.611 -0.681 . . . . 0.0 110.237 -179.616 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 25' ' ' HIS . . . . . . . . . . . . . 2.5 t60 -99.93 -7.43 25.22 Favored 'General case' 0 N--CA 1.501 2.098 0 O-C-N 121.218 -0.926 . . . . 0.0 111.45 -178.617 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 40.8 pttt -149.33 160.02 43.77 Favored 'General case' 0 N--CA 1.499 1.983 0 O-C-N 120.533 -1.354 . . . . 0.0 110.526 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 1.3 tp -106.36 135.39 47.93 Favored 'General case' 0 N--CA 1.497 1.908 0 N-CA-C 108.818 -0.808 . . . . 0.0 108.818 -179.29 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 37.5 mmtm -94.64 167.17 11.63 Favored 'General case' 0 N--CA 1.499 2.012 0 O-C-N 121.212 -0.93 . . . . 0.0 110.798 -179.179 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 35.7 mttp -61.52 -41.22 97.0 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.86 -0.525 . . . . 0.0 110.93 -178.655 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 63.2 p -67.23 -40.49 86.36 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 121.145 -0.972 . . . . 0.0 110.49 -178.476 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 41.3 tt0 -61.91 -36.47 81.41 Favored 'General case' 0 C--N 1.302 -1.459 0 O-C-N 121.092 -1.005 . . . . 0.0 109.368 -179.868 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 57.8 tp -60.01 -43.28 95.32 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.179 -0.951 . . . . 0.0 109.871 -179.432 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 24.4 ttpp -59.96 -42.14 93.42 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 120.965 -1.084 . . . . 0.0 109.224 179.528 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 34' ' ' GLU . . . . . 0.539 ' OE1' ' NH2' ' B' ' 20' ' ' ARG . 97.6 mt-10 -62.22 -39.99 94.64 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.454 -0.779 . . . . 0.0 110.624 -179.704 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 36.1 tp -60.05 -48.84 80.06 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.152 -0.967 . . . . 0.0 109.135 -178.8 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 91.5 mt -65.03 -39.9 87.22 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.549 0 O-C-N 121.169 -0.957 . . . . 0.0 109.443 179.864 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -69.73 -22.89 63.34 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.409 -0.807 . . . . 0.0 110.774 -179.293 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 1.1 t30 -49.07 -75.6 0.03 OUTLIER 'General case' 0 N--CA 1.493 1.714 0 O-C-N 120.81 -1.181 . . . . 0.0 109.887 -179.048 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 24.7 tp10 -163.38 19.95 0.08 Allowed 'General case' 0 N--CA 1.493 1.702 0 O-C-N 120.989 -1.069 . . . . 0.0 109.365 179.845 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 87.5 mt -91.87 7.98 39.45 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.016 -1.052 . . . . 0.0 108.808 -179.895 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 41' ' ' SER . . . . . 0.429 ' O ' ' O ' ' B' ' 44' ' ' LEU . 81.8 p -60.15 -13.6 12.95 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.644 -0.66 . . . . 0.0 109.998 -179.498 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 42' ' ' HIS . . . . . . . . . . . . . 38.0 t-80 -60.0 -47.57 85.28 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.083 -1.01 . . . . 0.0 109.652 -179.693 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 86.1 m-85 -70.07 -39.93 75.34 Favored 'General case' 0 C--N 1.302 -1.464 0 O-C-N 121.285 -0.885 . . . . 0.0 109.573 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 44' ' ' LEU . . . . . 0.429 ' O ' ' O ' ' B' ' 41' ' ' SER . 53.2 mt -124.16 130.36 52.4 Favored 'General case' 0 N--CA 1.502 2.13 0 O-C-N 121.55 -0.719 . . . . 0.0 109.488 -179.748 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 56.7 tt0 -129.98 26.34 5.22 Favored 'General case' 0 N--CA 1.502 2.141 0 O-C-N 121.233 -0.917 . . . . 0.0 108.941 179.674 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 6.4 tp10 -101.46 13.04 36.21 Favored 'General case' 0 N--CA 1.5 2.068 0 O-C-N 121.245 -0.909 . . . . 0.0 110.778 -178.916 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 40.3 mm -73.88 127.96 36.01 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.815 0 O-C-N 120.628 -1.295 . . . . 0.0 109.652 -179.288 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -159.01 -60.66 0.07 Allowed 'General case' 0 N--CA 1.496 1.832 0 O-C-N 121.346 -0.846 . . . . 0.0 108.95 179.418 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -101.3 154.36 18.85 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.162 -0.961 . . . . 0.0 108.477 179.471 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 58.7 mt-30 -60.16 -28.67 68.11 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.163 -0.96 . . . . 0.0 110.479 -179.491 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 1.6 pp20? -59.33 -33.3 70.97 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.117 -0.989 . . . . 0.0 110.263 -179.142 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 54.5 t -60.0 -46.9 93.58 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.615 0 O-C-N 120.918 -1.113 . . . . 0.0 109.106 -179.652 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 53.9 t -60.19 -45.02 96.56 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.445 0 O-C-N 121.246 -0.909 . . . . 0.0 109.311 179.827 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 62.8 t0 -61.6 -46.69 88.76 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.276 -0.89 . . . . 0.0 109.965 -179.731 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 32.0 tttm -60.19 -43.0 96.26 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.207 -0.933 . . . . 0.0 108.928 179.821 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 54.6 t -69.74 -39.89 78.51 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.59 0 O-C-N 121.656 -0.652 . . . . 0.0 109.911 179.788 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 57' ' ' MET . . . . . 0.459 ' O ' HD23 ' B' ' 60' ' ' LEU . 27.2 ttt -60.1 -39.99 88.07 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.161 -0.962 . . . . 0.0 110.102 -178.54 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 87.3 tt0 -63.36 -34.84 78.59 Favored 'General case' 0 C--N 1.296 -1.726 0 O-C-N 121.183 -0.948 . . . . 0.0 109.725 -179.931 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 62.5 m -60.0 -45.31 93.17 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.177 -0.952 . . . . 0.0 111.291 -178.138 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 60' ' ' LEU . . . . . 0.459 HD23 ' O ' ' B' ' 57' ' ' MET . 0.3 OUTLIER -81.59 -8.8 59.76 Favored 'General case' 0 N--CA 1.501 2.084 0 O-C-N 120.466 -1.396 . . . . 0.0 110.339 -179.167 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' B' B ' 61' ' ' ASP . . . . . 0.406 ' N ' HD23 ' B' ' 60' ' ' LEU . 79.1 m-20 -76.38 118.43 19.06 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 120.856 -1.153 . . . . 0.0 109.574 -179.915 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 67.4 mm-40 -95.09 -42.24 8.7 Favored 'General case' 0 N--CA 1.495 1.778 0 O-C-N 121.293 -0.879 . . . . 0.0 110.016 -179.688 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 43.6 p-10 -102.43 1.55 35.44 Favored 'General case' 0 N--CA 1.496 1.859 0 O-C-N 121.342 -0.849 . . . . 0.0 110.171 -179.658 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 48.86 52.39 21.33 Favored Glycine 0 N--CA 1.492 2.384 0 N-CA-C 109.463 -1.455 . . . . 0.0 109.463 179.867 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 38.0 p-10 -85.46 -6.77 59.17 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.273 -1.134 . . . . 0.0 110.149 -179.236 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 88.92 -7.67 81.56 Favored Glycine 0 N--CA 1.494 2.548 0 N-CA-C 109.72 -1.352 . . . . 0.0 109.72 179.696 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 21.5 pt-20 -139.61 159.58 41.84 Favored 'General case' 0 N--CA 1.495 1.819 0 O-C-N 121.227 -1.161 . . . . 0.0 109.004 -179.871 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 68' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -113.12 112.78 24.4 Favored 'General case' 0 N--CA 1.5 2.036 0 O-C-N 121.498 -0.751 . . . . 0.0 109.799 -179.273 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 90.1 m-20 -90.03 -177.48 5.19 Favored 'General case' 0 N--CA 1.494 1.725 0 O-C-N 121.529 -0.732 . . . . 0.0 109.505 179.489 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 69.7 t80 -59.98 -40.34 88.8 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.397 -0.814 . . . . 0.0 110.58 -179.653 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 1.5 tm0? -60.04 -43.4 95.36 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 120.956 -1.09 . . . . 0.0 109.787 -179.635 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 71.8 mt-10 -65.45 -35.12 79.96 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.103 -0.998 . . . . 0.0 109.991 -179.632 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 73' ' ' PHE . . . . . . . . . . . . . 49.3 t80 -58.54 -40.01 81.78 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.062 -1.024 . . . . 0.0 109.257 -179.869 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 74' ' ' MET . . . . . . . . . . . . . 92.2 mmm -60.06 -37.91 81.27 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.154 -0.966 . . . . 0.0 108.941 179.225 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -58.51 -39.99 81.64 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.27 -0.894 . . . . 0.0 109.66 -179.513 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 69.9 t80 -60.04 -40.09 88.17 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.014 -1.054 . . . . 0.0 109.962 179.421 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 77' ' ' VAL . . . . . . . . . . . . . 57.8 t -60.02 -42.1 88.54 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.461 0 O-C-N 121.229 -0.919 . . . . 0.0 108.971 -179.667 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 78' ' ' SER . . . . . . . . . . . . . 80.6 p -61.81 -39.0 90.22 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.398 -0.814 . . . . 0.0 108.945 179.048 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 79' ' ' MET . . . . . . . . . . . . . 50.5 ttm -59.96 -40.19 88.19 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.612 -0.68 . . . . 0.0 110.393 -179.647 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 58.6 t -67.37 -41.95 86.9 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.696 0 O-C-N 121.066 -1.021 . . . . 0.0 110.324 -179.006 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 82.3 p -68.68 -42.16 78.23 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.131 -0.981 . . . . 0.0 110.63 -178.724 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 82.6 p -71.07 -40.02 71.84 Favored 'General case' 0 N--CA 1.489 1.475 0 O-C-N 121.077 -1.014 . . . . 0.0 109.814 -179.614 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -69.93 -39.99 75.8 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.38 -0.825 . . . . 0.0 110.481 -179.66 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 84' ' ' CYS . . . . . . . . . . . . . 14.9 p -67.76 146.34 53.84 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.046 -1.033 . . . . 0.0 110.489 -178.92 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 85' ' ' HIS . . . . . . . . . . . . . 76.2 m80 -81.95 162.27 22.76 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.508 -0.745 . . . . 0.0 109.91 179.855 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 86' ' ' GLU . . . . . 0.531 ' C ' ' H ' ' B' ' 88' ' ' PHE . 98.7 mt-10 -89.23 -0.24 57.3 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 121.321 -0.862 . . . . 0.0 109.248 179.689 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 87' ' ' PHE . . . . . . . . . . . . . 34.5 t80 -67.19 16.94 0.03 OUTLIER 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.303 -0.873 . . . . 0.0 110.09 -179.499 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 88' ' ' PHE . . . . . 0.531 ' H ' ' C ' ' B' ' 86' ' ' GLU . 7.3 m-85 . . . . . 0 N--CA 1.492 1.63 0 O-C-N 121.026 -1.046 . . . . 0.0 108.994 179.664 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 34.0 t . . . . . 0 N--CA 1.498 1.962 0 N-CA-C 109.437 -0.579 . . . . 0.0 109.437 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -60.07 -40.04 88.11 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.276 -0.89 . . . . 0.0 110.183 -179.891 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . 0.494 HD11 HG11 ' B' ' 13' ' ' VAL . 27.7 mt -61.16 -42.29 98.3 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.021 -1.049 . . . . 0.0 109.318 179.826 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -60.08 -46.33 89.92 Favored 'General case' 0 C--N 1.303 -1.441 0 O-C-N 121.328 -0.857 . . . . 0.0 109.414 -179.432 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 64.2 tttm -64.03 -40.06 95.48 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.236 -0.915 . . . . 0.0 109.37 179.7 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -60.07 -40.99 91.44 Favored 'General case' 0 N--CA 1.488 1.459 0 O-C-N 121.233 -0.917 . . . . 0.0 110.064 -179.459 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 98.8 mtp -61.09 -40.54 94.09 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.021 -1.049 . . . . 0.0 109.022 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 53.2 t -62.66 -40.02 86.88 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.68 0 O-C-N 121.53 -0.731 . . . . 0.0 110.41 179.838 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . 0.408 ' O ' HG23 ' A' ' 13' ' ' VAL . . . -60.0 -45.84 91.43 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.058 -1.026 . . . . 0.0 110.88 -178.347 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.408 ' CD2' ' N ' ' A' ' 10' ' ' LEU . 2.8 mm? -60.03 -44.16 94.81 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 120.682 -1.261 . . . . 0.0 109.599 -179.571 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 96.6 mt -69.94 -43.67 79.25 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.55 0 O-C-N 121.077 -1.014 . . . . 0.0 110.433 -179.503 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 95.6 m-20 -69.99 -39.94 75.6 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.041 -1.037 . . . . 0.0 110.425 -179.819 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.483 HG11 HD11 ' B' ' 3' ' ' LEU . 53.2 t -65.49 -40.34 87.89 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.411 0 O-C-N 121.001 -1.062 . . . . 0.0 109.953 -179.066 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 67.5 t80 -60.06 -48.46 81.61 Favored 'General case' 0 N--CA 1.495 1.81 0 O-C-N 120.854 -1.154 . . . . 0.0 110.625 -179.564 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 5.5 m80 -69.85 -33.1 71.83 Favored 'General case' 0 N--CA 1.497 1.888 0 O-C-N 120.9 -1.125 . . . . 0.0 109.974 -179.769 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 32.0 tt0 -59.92 -49.97 75.58 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 120.976 -1.077 . . . . 0.0 110.261 -178.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 36.0 m-85 -72.48 -41.47 65.97 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.146 -0.971 . . . . 0.0 110.272 -179.836 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 25.8 p -62.82 -40.2 96.66 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.073 -1.017 . . . . 0.0 110.424 -178.857 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -79.02 -3.69 88.33 Favored Glycine 0 N--CA 1.489 2.19 0 N-CA-C 109.404 -1.478 . . . . 0.0 109.404 -179.366 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . 0.565 ' CG ' HH11 ' A' ' 20' ' ' ARG . 0.6 OUTLIER -60.07 -40.23 88.78 Favored 'General case' 0 C--N 1.303 -1.423 0 O-C-N 121.403 -1.057 . . . . 0.0 109.4 -179.839 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.426 ' O ' ' O ' ' A' ' 22' ' ' GLY . 49.1 tp10 -147.56 87.57 1.65 Allowed 'General case' 0 N--CA 1.495 1.804 0 O-C-N 121.133 -0.98 . . . . 0.0 109.409 179.505 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . 0.426 ' O ' ' O ' ' A' ' 21' ' ' GLU . . . 44.71 -168.17 0.02 OUTLIER Glycine 0 N--CA 1.493 2.48 0 N-CA-C 109.916 -1.274 . . . . 0.0 109.916 179.665 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . 0.485 ' O ' ' O ' ' A' ' 26' ' ' LYS . 79.6 m-20 50.0 42.22 24.3 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.099 -1.236 . . . . 0.0 108.815 179.859 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 22.5 pttp -65.23 -32.88 74.78 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.164 -0.96 . . . . 0.0 110.376 -179.183 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 16.3 t60 -90.3 -6.33 55.25 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.013 -1.054 . . . . 0.0 110.744 -179.168 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.485 ' O ' ' O ' ' A' ' 23' ' ' ASP . 42.6 mttm -142.52 159.03 43.03 Favored 'General case' 0 N--CA 1.503 2.205 0 O-C-N 120.783 -1.198 . . . . 0.0 109.74 -179.526 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 83.5 mt -114.21 133.5 55.57 Favored 'General case' 0 N--CA 1.502 2.148 0 N-CA-C 108.013 -1.106 . . . . 0.0 108.013 178.525 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.476 ' HG2' ' H ' ' A' ' 29' ' ' LYS . 1.4 ttmp? -92.27 179.53 5.53 Favored 'General case' 0 N--CA 1.498 1.96 0 O-C-N 121.227 -0.92 . . . . 0.0 109.77 -178.94 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.476 ' H ' ' HG2' ' A' ' 28' ' ' LYS . 0.3 OUTLIER -59.95 -45.32 93.01 Favored 'General case' 0 N--CA 1.494 1.751 0 O-C-N 121.394 -0.817 . . . . 0.0 110.507 -178.696 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 56.0 m -60.05 -41.42 92.28 Favored 'General case' 0 N--CA 1.495 1.795 0 O-C-N 120.753 -1.217 . . . . 0.0 110.716 -178.943 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -69.94 -39.33 76.14 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.153 -0.967 . . . . 0.0 110.182 -179.579 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 53.3 tp -60.06 -49.93 75.7 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.078 -1.014 . . . . 0.0 109.862 -179.228 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 64.6 tttm -63.67 -41.23 98.21 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 120.933 -1.105 . . . . 0.0 110.308 -179.806 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 61.9 tt0 -60.81 -40.12 91.48 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.157 -0.965 . . . . 0.0 110.343 -179.051 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.529 HD13 ' O ' ' A' ' 35' ' ' LEU . 0.2 OUTLIER -59.94 -44.52 94.33 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.277 -0.89 . . . . 0.0 109.588 -178.887 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.461 ' O ' ' O ' ' A' ' 40' ' ' LEU . 3.1 mp -75.68 -31.33 22.74 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.916 0 O-C-N 120.731 -1.231 . . . . 0.0 109.858 179.409 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 20.5 t-20 -58.16 -72.3 0.09 Allowed 'General case' 0 N--CA 1.494 1.764 0 O-C-N 120.814 -1.179 . . . . 0.0 112.393 -177.768 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 4.0 p-10 -81.07 -19.76 43.02 Favored 'General case' 0 N--CA 1.498 1.948 0 O-C-N 121.315 -0.866 . . . . 0.0 113.054 -177.064 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 1.5 tm-20 -89.91 -77.36 0.4 Allowed 'General case' 0 N--CA 1.502 2.175 0 O-C-N 120.47 -1.393 . . . . 0.0 110.613 -178.022 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.461 ' O ' ' O ' ' A' ' 36' ' ' ILE . 0.7 OUTLIER -90.4 111.75 23.1 Favored 'General case' 0 N--CA 1.497 1.877 0 O-C-N 120.899 -1.126 . . . . 0.0 108.805 -179.517 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 80.8 p -145.24 18.02 1.55 Allowed 'General case' 0 N--CA 1.495 1.78 0 O-C-N 121.049 -1.032 . . . . 0.0 110.032 -179.668 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 41.8 t-80 -126.87 -19.48 4.45 Favored 'General case' 0 N--CA 1.501 2.11 0 O-C-N 121.435 -0.791 . . . . 0.0 110.652 -179.137 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 57.3 m-85 -78.5 -62.36 1.71 Allowed 'General case' 0 N--CA 1.495 1.779 0 O-C-N 120.834 -1.166 . . . . 0.0 110.903 -178.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -89.99 -75.34 0.46 Allowed 'General case' 0 N--CA 1.501 2.085 0 O-C-N 121.118 -0.989 . . . . 0.0 110.223 -178.843 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 52.4 tt0 64.94 20.83 12.21 Favored 'General case' 0 N--CA 1.494 1.747 0 O-C-N 121.56 -0.713 . . . . 0.0 109.209 -179.068 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 15.3 pt-20 -94.4 0.01 55.14 Favored 'General case' 0 N--CA 1.496 1.861 0 O-C-N 121.247 -0.908 . . . . 0.0 110.12 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 85.8 mt -79.47 114.21 19.94 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.763 0 O-C-N 120.939 -1.101 . . . . 0.0 109.486 -179.464 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 4.7 mmmm -106.33 -51.02 3.03 Favored 'General case' 0 N--CA 1.499 1.978 0 O-C-N 121.575 -0.703 . . . . 0.0 110.615 -179.679 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 80.4 mm-40 -111.03 156.86 20.66 Favored 'General case' 0 N--CA 1.501 2.098 0 O-C-N 121.354 -0.842 . . . . 0.0 110.582 -178.693 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 51.9 tt0 -59.97 -37.02 78.4 Favored 'General case' 0 N--CA 1.493 1.684 0 CA-C-O 121.438 0.637 . . . . 0.0 109.295 179.154 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 77.0 mm-40 -53.08 -33.75 53.5 Favored 'General case' 0 C--N 1.301 -1.543 0 O-C-N 121.456 -0.777 . . . . 0.0 109.491 -179.281 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 79.2 t -60.06 -40.02 82.03 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.518 0 O-C-N 121.103 -0.998 . . . . 0.0 109.527 -179.886 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 54.5 t -60.16 -42.21 89.37 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.66 0 O-C-N 121.063 -1.023 . . . . 0.0 109.445 179.417 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 50.1 t0 -60.12 -46.96 87.86 Favored 'General case' 0 N--CA 1.494 1.769 0 O-C-N 121.144 -0.972 . . . . 0.0 109.725 -179.748 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 2.5 ttmp? -59.97 -41.17 91.4 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.277 -0.889 . . . . 0.0 109.174 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 65.4 t -66.53 -40.37 86.22 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.475 0 O-C-N 121.304 -0.872 . . . . 0.0 109.125 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 8.9 ttt -60.31 -41.9 94.43 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.328 -0.858 . . . . 0.0 110.214 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -63.91 -39.91 95.27 Favored 'General case' 0 C--N 1.302 -1.46 0 O-C-N 121.339 -0.85 . . . . 0.0 109.719 -179.316 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 86.1 m -67.12 -46.66 73.5 Favored 'General case' 0 N--CA 1.488 1.428 0 N-CA-C 108.556 -0.905 . . . . 0.0 108.556 179.209 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 42.9 tp -61.03 -50.09 74.76 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.162 -0.961 . . . . 0.0 110.023 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . 0.446 ' OD1' ' N ' ' A' ' 64' ' ' GLY . 12.5 t70 -81.87 69.18 8.5 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.023 -1.048 . . . . 0.0 110.574 -179.181 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 7.1 tm-20 -70.16 -32.23 70.1 Favored 'General case' 0 N--CA 1.49 1.568 0 N-CA-C 108.434 -0.95 . . . . 0.0 108.434 178.57 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 5.0 p-10 -60.05 -37.5 80.01 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.826 -0.546 . . . . 0.0 110.315 -179.434 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . 0.446 ' N ' ' OD1' ' A' ' 61' ' ' ASP . . . 99.11 30.37 6.71 Favored Glycine 0 N--CA 1.502 3.06 0 N-CA-C 110.466 -1.053 . . . . 0.0 110.466 179.533 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . 0.451 ' O ' ' OD1' ' A' ' 65' ' ' ASP . 65.7 t0 -86.61 -19.41 29.38 Favored 'General case' 0 N--CA 1.496 1.834 0 O-C-N 120.897 -1.355 . . . . 0.0 108.951 179.277 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 71.36 -0.93 30.22 Favored Glycine 0 N--CA 1.492 2.377 0 N-CA-C 109.25 -1.54 . . . . 0.0 109.25 179.894 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 49.0 mt-10 -135.82 156.05 49.39 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 121.493 -1.004 . . . . 0.0 108.597 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 44.6 m -89.74 116.25 27.71 Favored 'General case' 0 N--CA 1.494 1.736 0 O-C-N 120.934 -1.104 . . . . 0.0 109.387 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . 0.536 ' OD1' ' N ' ' A' ' 70' ' ' PHE . 18.9 t0 -88.85 171.09 10.18 Favored 'General case' 0 N--CA 1.491 1.581 0 N-CA-C 108.722 -0.844 . . . . 0.0 108.722 179.869 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' PHE . . . . . 0.536 ' N ' ' OD1' ' A' ' 69' ' ' ASP . 41.6 t80 -60.1 -42.35 94.49 Favored 'General case' 0 C--N 1.3 -1.55 0 O-C-N 121.075 -1.016 . . . . 0.0 108.648 -179.86 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 88.7 mt-30 -60.99 -41.43 96.48 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.381 -0.825 . . . . 0.0 109.706 179.767 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 36.8 mt-10 -64.22 -38.84 92.48 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.31 -0.869 . . . . 0.0 109.287 -179.878 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 53.9 t80 -60.06 -43.98 95.03 Favored 'General case' 0 C--N 1.3 -1.578 0 O-C-N 121.506 -0.746 . . . . 0.0 109.279 -179.697 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 95.9 mmm -67.84 -39.98 83.76 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.256 -0.902 . . . . 0.0 109.886 179.901 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -59.88 -44.61 94.11 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.137 -0.977 . . . . 0.0 109.591 -179.073 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 58.6 t80 -59.87 -49.37 77.95 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.147 -0.971 . . . . 0.0 109.262 179.569 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 66.4 t -61.27 -44.43 98.39 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.476 0 O-C-N 121.245 -0.909 . . . . 0.0 109.195 -179.818 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 25.8 t -60.49 -43.42 97.01 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.299 -0.876 . . . . 0.0 109.684 -179.763 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 63.0 ttp -60.24 -40.04 88.85 Favored 'General case' 0 C--N 1.303 -1.436 0 O-C-N 121.151 -0.968 . . . . 0.0 109.917 -179.439 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 57.9 t -69.12 -44.26 81.07 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.562 0 O-C-N 121.138 -0.976 . . . . 0.0 109.872 -179.66 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . 0.493 ' O ' ' SG ' ' A' ' 84' ' ' CYS . 27.9 m -61.32 -40.78 95.48 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.104 -0.997 . . . . 0.0 109.691 -179.608 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 35.5 p -68.3 -39.01 82.2 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.102 -0.999 . . . . 0.0 109.279 179.773 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -73.41 -22.96 60.1 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.461 -0.774 . . . . 0.0 110.716 -179.402 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 84' ' ' CYS . . . . . 0.539 ' SG ' ' O ' ' A' ' 84' ' ' CYS . 14.8 p -43.96 116.14 0.94 Allowed 'General case' 0 N--CA 1.496 1.868 0 O-C-N 121.127 -0.983 . . . . 0.0 110.598 -178.774 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 71.8 t60 -98.22 -42.19 7.54 Favored 'General case' 0 N--CA 1.497 1.89 0 O-C-N 120.996 -1.065 . . . . 0.0 109.374 179.73 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . 0.662 ' CD ' ' H ' ' A' ' 86' ' ' GLU . 0.8 OUTLIER -71.04 140.52 50.77 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 121.425 -0.797 . . . . 0.0 110.126 -179.67 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 96.5 m-85 -113.12 141.1 47.3 Favored 'General case' 0 N--CA 1.5 2.035 0 O-C-N 121.532 -0.73 . . . . 0.0 110.1 -179.445 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 63.8 m-85 . . . . . 0 N--CA 1.498 1.942 0 O-C-N 121.179 -0.951 . . . . 0.0 109.031 179.112 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 30.2 t . . . . . 0 N--CA 1.497 1.904 0 N-CA-C 109.393 -0.595 . . . . 0.0 109.393 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -59.94 -40.21 88.2 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.147 -0.971 . . . . 0.0 110.036 -179.8 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 3' ' ' LEU . . . . . 0.483 HD11 HG11 ' A' ' 13' ' ' VAL . 35.9 mt -60.65 -42.72 97.55 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 120.971 -1.081 . . . . 0.0 109.352 179.739 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 88.7 tt0 -60.02 -45.81 91.57 Favored 'General case' 0 C--N 1.303 -1.449 0 O-C-N 121.357 -0.84 . . . . 0.0 109.376 -179.43 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 63.6 tttm -64.49 -40.04 94.92 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.25 -0.906 . . . . 0.0 109.247 179.702 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -60.03 -41.4 92.15 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.432 -0.793 . . . . 0.0 109.999 -179.295 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 7' ' ' MET . . . . . . . . . . . . . 97.8 mtp -61.15 -40.47 93.96 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 120.941 -1.099 . . . . 0.0 109.006 179.829 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 47.0 t -62.76 -40.01 87.01 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.71 0 O-C-N 121.572 -0.705 . . . . 0.0 110.355 179.923 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 9' ' ' ALA . . . . . 0.43 ' O ' HG23 ' B' ' 13' ' ' VAL . . . -60.05 -45.38 93.04 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 121.009 -1.057 . . . . 0.0 110.773 -178.198 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 10' ' ' LEU . . . . . 0.4 ' N ' ' CD2' ' B' ' 10' ' ' LEU . 2.9 mm? -59.99 -44.4 94.53 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 120.883 -1.136 . . . . 0.0 109.8 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 96.6 mt -69.96 -43.58 79.28 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.581 0 O-C-N 121.103 -0.998 . . . . 0.0 110.343 -179.519 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 95.9 m-20 -70.04 -39.95 75.44 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.079 -1.013 . . . . 0.0 110.432 -179.73 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 13' ' ' VAL . . . . . 0.494 HG11 HD11 ' A' ' 3' ' ' LEU . 54.3 t -65.47 -40.58 88.69 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.523 0 O-C-N 121.106 -0.996 . . . . 0.0 109.998 -179.032 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 14' ' ' PHE . . . . . . . . . . . . . 68.1 t80 -59.94 -48.53 81.33 Favored 'General case' 0 N--CA 1.495 1.807 0 O-C-N 120.95 -1.094 . . . . 0.0 110.602 -179.361 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 5.7 m80 -69.87 -32.94 71.57 Favored 'General case' 0 N--CA 1.496 1.872 0 O-C-N 120.959 -1.088 . . . . 0.0 110.063 -179.898 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 32.4 tt0 -59.98 -49.65 76.82 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.034 -1.041 . . . . 0.0 110.215 -178.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 36.7 m-85 -73.05 -41.34 64.27 Favored 'General case' 0 N--CA 1.494 1.748 0 O-C-N 121.191 -0.943 . . . . 0.0 110.274 -179.782 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 26.6 p -62.22 -40.67 96.91 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.216 -0.927 . . . . 0.0 110.176 -179.119 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -78.53 -4.14 87.16 Favored Glycine 0 N--CA 1.49 2.289 0 N-CA-C 109.473 -1.451 . . . . 0.0 109.473 -179.342 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 20' ' ' ARG . . . . . 0.534 ' CG ' HH11 ' B' ' 20' ' ' ARG . 0.9 OUTLIER -60.03 -40.26 88.73 Favored 'General case' 0 C--N 1.302 -1.478 0 O-C-N 121.347 -1.09 . . . . 0.0 109.496 -179.808 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' B' B ' 21' ' ' GLU . . . . . 0.422 ' O ' ' O ' ' B' ' 22' ' ' GLY . 49.2 tp10 -147.87 87.32 1.61 Allowed 'General case' 0 N--CA 1.495 1.803 0 O-C-N 121.151 -0.968 . . . . 0.0 109.459 179.703 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 22' ' ' GLY . . . . . 0.422 ' O ' ' O ' ' B' ' 21' ' ' GLU . . . 45.31 -168.49 0.03 OUTLIER Glycine 0 N--CA 1.492 2.429 0 N-CA-C 109.863 -1.295 . . . . 0.0 109.863 179.588 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 23' ' ' ASP . . . . . 0.484 ' O ' ' O ' ' B' ' 26' ' ' LYS . 80.3 m-20 50.17 42.43 25.25 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.095 -1.238 . . . . 0.0 108.866 179.812 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 22.3 pttp -65.2 -33.17 75.36 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.081 -1.012 . . . . 0.0 110.382 -179.202 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 25' ' ' HIS . . . . . . . . . . . . . 16.7 t60 -90.23 -5.96 55.77 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.153 -0.967 . . . . 0.0 110.81 -179.122 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 26' ' ' LYS . . . . . 0.484 ' O ' ' O ' ' B' ' 23' ' ' ASP . 41.8 mttm -142.75 159.13 42.84 Favored 'General case' 0 N--CA 1.502 2.137 0 O-C-N 120.735 -1.228 . . . . 0.0 109.804 -179.538 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 81.5 mt -114.49 133.67 55.59 Favored 'General case' 0 N--CA 1.502 2.134 0 N-CA-C 107.895 -1.15 . . . . 0.0 107.895 178.508 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 28' ' ' LYS . . . . . 0.508 ' HG2' ' H ' ' B' ' 29' ' ' LYS . 1.5 ttmp? -92.71 179.36 5.51 Favored 'General case' 0 N--CA 1.495 1.822 0 O-C-N 121.157 -0.965 . . . . 0.0 109.803 -179.044 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 29' ' ' LYS . . . . . 0.508 ' H ' ' HG2' ' B' ' 28' ' ' LYS . 0.3 OUTLIER -59.8 -45.75 91.34 Favored 'General case' 0 N--CA 1.495 1.78 0 O-C-N 121.49 -0.756 . . . . 0.0 110.642 -178.676 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 57.9 m -60.14 -41.08 91.94 Favored 'General case' 0 N--CA 1.495 1.794 0 O-C-N 120.652 -1.28 . . . . 0.0 110.564 -178.866 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -69.87 -39.45 76.32 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.123 -0.986 . . . . 0.0 109.996 -179.416 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 43.2 tp -60.02 -49.88 75.94 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.171 -0.956 . . . . 0.0 110.024 -179.157 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 65.8 tttm -63.9 -40.45 96.54 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.008 -1.057 . . . . 0.0 110.239 -179.624 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 62.0 tt0 -61.41 -39.92 92.53 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.149 -0.969 . . . . 0.0 110.323 -179.176 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 35' ' ' LEU . . . . . 0.514 ' O ' HD13 ' B' ' 35' ' ' LEU . 0.3 OUTLIER -60.05 -43.96 95.02 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.277 -0.89 . . . . 0.0 109.549 -178.94 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' B' B ' 36' ' ' ILE . . . . . 0.463 ' O ' ' O ' ' B' ' 40' ' ' LEU . 3.5 mp -76.32 -30.87 20.23 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.866 0 O-C-N 120.807 -1.183 . . . . 0.0 109.944 179.439 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 21.5 t-20 -58.62 -72.05 0.1 Allowed 'General case' 0 N--CA 1.493 1.698 0 O-C-N 120.888 -1.132 . . . . 0.0 112.172 -177.837 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 3.9 p-10 -81.31 -19.75 42.24 Favored 'General case' 0 N--CA 1.498 1.958 0 O-C-N 121.301 -0.874 . . . . 0.0 113.18 -176.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 1.5 tm-20 -89.69 -77.39 0.39 Allowed 'General case' 0 N--CA 1.502 2.173 0 O-C-N 120.401 -1.437 . . . . 0.0 110.487 -178.093 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 40' ' ' LEU . . . . . 0.463 ' O ' ' O ' ' B' ' 36' ' ' ILE . 0.7 OUTLIER -90.14 112.45 23.94 Favored 'General case' 0 N--CA 1.498 1.944 0 O-C-N 120.875 -1.141 . . . . 0.0 108.714 -179.758 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 87.9 p -145.78 17.82 1.45 Allowed 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.071 -1.018 . . . . 0.0 109.946 -179.823 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 42' ' ' HIS . . . . . . . . . . . . . 43.3 t-80 -126.9 -19.66 4.39 Favored 'General case' 0 N--CA 1.5 2.052 0 O-C-N 121.388 -0.82 . . . . 0.0 110.643 -179.173 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 57.3 m-85 -78.16 -62.46 1.67 Allowed 'General case' 0 N--CA 1.496 1.872 0 O-C-N 120.897 -1.127 . . . . 0.0 110.969 -178.953 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -90.31 -74.61 0.48 Allowed 'General case' 0 N--CA 1.498 1.949 0 O-C-N 120.942 -1.099 . . . . 0.0 110.245 -178.774 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 51.9 tt0 64.81 20.4 12.11 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.535 -0.728 . . . . 0.0 109.273 -179.196 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 15.4 pt-20 -93.59 -0.23 56.29 Favored 'General case' 0 N--CA 1.497 1.89 0 O-C-N 121.147 -0.971 . . . . 0.0 110.268 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 87.6 mt -78.89 114.11 19.15 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.802 0 O-C-N 120.968 -1.082 . . . . 0.0 109.561 -179.334 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 4.7 mmmm -106.08 -51.57 2.95 Favored 'General case' 0 N--CA 1.498 1.973 0 O-C-N 121.414 -0.804 . . . . 0.0 110.478 -179.739 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 79.2 mm-40 -110.71 156.77 20.55 Favored 'General case' 0 N--CA 1.5 2.071 0 O-C-N 121.39 -0.819 . . . . 0.0 110.807 -178.573 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 53.0 tt0 -60.06 -36.91 78.37 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.657 -0.652 . . . . 0.0 109.413 179.138 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 76.5 mm-40 -53.24 -33.53 53.37 Favored 'General case' 0 C--N 1.301 -1.507 0 O-C-N 121.338 -0.851 . . . . 0.0 109.244 -179.342 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 72.7 t -60.05 -40.01 81.99 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.475 0 O-C-N 121.083 -1.011 . . . . 0.0 109.376 -179.833 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 45.6 t -60.11 -42.25 89.36 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.744 0 O-C-N 121.063 -1.023 . . . . 0.0 109.46 179.435 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 50.7 t0 -60.06 -47.21 86.82 Favored 'General case' 0 N--CA 1.495 1.786 0 O-C-N 121.097 -1.002 . . . . 0.0 109.705 -179.809 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 2.5 ttmp? -59.97 -41.11 91.22 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.19 -0.944 . . . . 0.0 109.132 -179.683 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 53.8 t -66.57 -40.12 85.54 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.447 0 O-C-N 121.374 -0.829 . . . . 0.0 108.954 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 57' ' ' MET . . . . . . . . . . . . . 8.2 ttt -60.98 -41.62 96.77 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.261 -0.899 . . . . 0.0 110.261 -179.881 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -64.02 -40.18 95.75 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.206 -0.934 . . . . 0.0 109.567 -179.515 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 93.8 m -66.32 -47.3 74.0 Favored 'General case' 0 N--CA 1.488 1.43 0 O-C-N 121.217 -0.927 . . . . 0.0 108.57 178.888 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 53.6 tp -60.68 -50.04 75.09 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.196 -0.94 . . . . 0.0 110.107 -179.838 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 61' ' ' ASP . . . . . 0.433 ' OD1' ' N ' ' B' ' 64' ' ' GLY . 12.8 t70 -81.86 68.98 8.45 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.121 -0.987 . . . . 0.0 110.625 -179.022 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 7.0 tm-20 -70.17 -32.18 70.02 Favored 'General case' 0 N--CA 1.488 1.464 0 N-CA-C 108.357 -0.979 . . . . 0.0 108.357 178.49 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 5.2 p-10 -59.93 -37.61 79.99 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.908 -0.495 . . . . 0.0 110.396 -179.453 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 64' ' ' GLY . . . . . 0.433 ' N ' ' OD1' ' B' ' 61' ' ' ASP . . . 99.74 28.84 7.23 Favored Glycine 0 N--CA 1.501 2.982 0 O-C-N 121.087 -1.008 . . . . 0.0 110.714 179.466 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 65' ' ' ASP . . . . . 0.46 ' OD1' ' O ' ' B' ' 65' ' ' ASP . 65.6 t0 -85.59 -19.93 30.3 Favored 'General case' 0 N--CA 1.496 1.845 0 O-C-N 120.888 -1.36 . . . . 0.0 109.216 179.38 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 72.02 -1.01 34.93 Favored Glycine 0 N--CA 1.492 2.427 0 N-CA-C 109.25 -1.54 . . . . 0.0 109.25 179.765 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 49.5 mt-10 -135.9 155.91 49.57 Favored 'General case' 0 N--CA 1.495 1.783 0 O-C-N 121.607 -0.937 . . . . 0.0 108.619 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 68' ' ' CYS . . . . . . . . . . . . . 36.2 m -89.7 116.62 27.96 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 120.86 -1.15 . . . . 0.0 109.316 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 69' ' ' ASP . . . . . 0.547 ' OD1' ' N ' ' B' ' 70' ' ' PHE . 18.7 t0 -89.05 171.03 10.14 Favored 'General case' 0 N--CA 1.494 1.727 0 N-CA-C 108.63 -0.878 . . . . 0.0 108.63 179.893 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 70' ' ' PHE . . . . . 0.547 ' N ' ' OD1' ' B' ' 69' ' ' ASP . 41.7 t80 -60.02 -42.15 93.7 Favored 'General case' 0 C--N 1.3 -1.558 0 O-C-N 121.083 -1.01 . . . . 0.0 108.633 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 87.9 mt-30 -61.49 -41.21 96.93 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.393 -0.817 . . . . 0.0 109.661 179.886 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 35.8 mt-10 -63.96 -38.83 92.5 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.348 -0.845 . . . . 0.0 109.298 179.926 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 73' ' ' PHE . . . . . . . . . . . . . 58.0 t80 -60.02 -44.11 94.82 Favored 'General case' 0 C--N 1.301 -1.526 0 O-C-N 121.536 -0.728 . . . . 0.0 109.211 -179.652 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 74' ' ' MET . . . . . . . . . . . . . 94.2 mmm -67.77 -39.92 84.07 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.305 -0.872 . . . . 0.0 109.952 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -59.96 -44.85 94.17 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.132 -0.98 . . . . 0.0 109.699 -179.082 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 58.8 t80 -60.07 -48.52 81.36 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.157 -0.964 . . . . 0.0 109.259 179.83 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 77' ' ' VAL . . . . . . . . . . . . . 53.2 t -61.61 -44.71 99.1 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.491 0 O-C-N 121.293 -0.88 . . . . 0.0 109.104 179.928 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 78' ' ' SER . . . . . . . . . . . . . 22.8 t -60.36 -43.5 96.45 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.33 -0.856 . . . . 0.0 109.753 -179.827 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 79' ' ' MET . . . . . . . . . . . . . 63.3 ttp -60.05 -40.21 88.66 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.235 -0.916 . . . . 0.0 109.963 -179.567 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 76.7 t -69.04 -44.24 81.31 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.567 0 O-C-N 121.146 -0.971 . . . . 0.0 109.771 -179.577 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 81' ' ' THR . . . . . 0.469 ' O ' ' SG ' ' B' ' 84' ' ' CYS . 29.0 m -61.4 -41.05 96.52 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.1 -1.0 . . . . 0.0 109.486 -179.299 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 33.4 p -67.72 -39.74 84.29 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 121.043 -1.036 . . . . 0.0 109.354 179.828 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -73.16 -22.41 60.5 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.451 -0.781 . . . . 0.0 110.803 -179.338 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 84' ' ' CYS . . . . . 0.538 ' SG ' ' O ' ' B' ' 84' ' ' CYS . 14.3 p -44.17 115.91 0.92 Allowed 'General case' 0 N--CA 1.494 1.732 0 O-C-N 121.113 -0.992 . . . . 0.0 110.487 -178.904 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 85' ' ' HIS . . . . . . . . . . . . . 72.9 t60 -98.3 -41.92 7.63 Favored 'General case' 0 N--CA 1.498 1.927 0 O-C-N 120.924 -1.11 . . . . 0.0 109.433 179.819 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 86' ' ' GLU . . . . . 0.665 ' CD ' ' H ' ' B' ' 86' ' ' GLU . 0.8 OUTLIER -71.45 140.1 49.9 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 121.31 -0.869 . . . . 0.0 110.168 -179.542 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' B' B ' 87' ' ' PHE . . . . . . . . . . . . . 96.8 m-85 -112.56 142.05 45.59 Favored 'General case' 0 N--CA 1.5 2.055 0 O-C-N 121.451 -0.781 . . . . 0.0 110.18 -179.516 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 61.7 m-85 . . . . . 0 N--CA 1.496 1.872 0 O-C-N 121.241 -0.912 . . . . 0.0 108.955 179.113 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 42.8 t . . . . . 0 N--CA 1.49 1.526 0 CA-C-O 121.587 0.708 . . . . 0.0 109.427 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 99.7 mt-10 -70.01 -31.65 69.42 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.27 -0.894 . . . . 0.0 110.254 -179.818 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . 0.537 HD23 ' C ' ' A' ' 3' ' ' LEU . 9.1 tt -59.9 -49.32 78.17 Favored 'General case' 0 N--CA 1.494 1.725 0 O-C-N 121.114 -0.992 . . . . 0.0 110.587 -178.309 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 1.1 pp20? -61.18 -39.94 92.05 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 120.617 -1.302 . . . . 0.0 109.903 -179.466 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 86.8 tttt -66.33 -40.42 89.86 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 120.92 -1.113 . . . . 0.0 108.831 179.558 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -61.69 -40.38 94.78 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.623 -0.673 . . . . 0.0 110.104 -179.62 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 27.1 ttt -60.06 -40.0 87.94 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.182 -0.949 . . . . 0.0 109.448 -179.61 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 67.5 t -60.48 -39.77 82.21 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.572 0 O-C-N 121.462 -0.774 . . . . 0.0 109.597 179.712 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.89 -40.73 89.73 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.226 -0.921 . . . . 0.0 110.932 -178.179 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.401 HD22 ' N ' ' A' ' 10' ' ' LEU . 4.0 mm? -60.07 -49.98 75.51 Favored 'General case' 0 N--CA 1.495 1.784 0 O-C-N 120.68 -1.263 . . . . 0.0 109.758 -179.83 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 98.2 mt -60.16 -47.79 90.64 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.578 0 O-C-N 121.016 -1.053 . . . . 0.0 109.694 -179.647 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 10.3 t70 -61.83 -47.72 83.83 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.19 -0.944 . . . . 0.0 110.266 -179.481 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 54.2 t -67.42 -43.64 87.48 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.678 0 O-C-N 121.077 -1.015 . . . . 0.0 109.964 -179.27 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 64.3 t80 -60.0 -45.58 92.29 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.036 -1.04 . . . . 0.0 110.037 -179.443 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 4.1 t-80 -61.36 -40.06 92.9 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.249 -0.907 . . . . 0.0 110.627 -178.874 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 65.6 mt-30 -63.7 -58.47 6.79 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 120.942 -1.099 . . . . 0.0 110.601 -178.907 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 50.0 m-85 -64.7 -39.98 94.58 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.085 -1.009 . . . . 0.0 110.281 -179.506 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 57.6 p -66.06 -33.58 76.12 Favored 'General case' 0 C--N 1.297 -1.693 0 O-C-N 121.052 -1.03 . . . . 0.0 109.061 179.835 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -80.57 -15.33 78.29 Favored Glycine 0 N--CA 1.494 2.504 0 C-N-CA 120.121 -1.038 . . . . 0.0 110.541 -179.921 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 23.5 mmt180 -60.01 -40.03 87.86 Favored 'General case' 0 N--CA 1.496 1.874 0 O-C-N 120.883 -1.363 . . . . 0.0 110.557 -179.761 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 13.4 pt-20 -154.46 167.95 28.33 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 120.923 -1.111 . . . . 0.0 110.369 -179.1 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 100.92 175.81 29.3 Favored Glycine 0 N--CA 1.495 2.576 0 N-CA-C 108.867 -1.693 . . . . 0.0 108.867 -179.666 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 57.0 t0 -58.29 -58.06 10.17 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.023 -1.281 . . . . 0.0 109.01 -179.74 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 42.2 mtpt -153.47 -37.94 0.1 Allowed 'General case' 0 N--CA 1.493 1.718 0 O-C-N 121.315 -0.866 . . . . 0.0 110.014 178.789 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -159.8 75.4 0.62 Allowed 'General case' 0 N--CA 1.488 1.426 0 O-C-N 120.715 -1.24 . . . . 0.0 111.935 -178.677 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 57.9 pttt -144.36 158.67 43.62 Favored 'General case' 0 N--CA 1.498 1.956 0 O-C-N 121.107 -0.996 . . . . 0.0 108.406 177.712 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 89.3 mt -107.97 127.74 54.03 Favored 'General case' 0 N--CA 1.5 2.044 0 O-C-N 121.305 -0.872 . . . . 0.0 110.596 -178.796 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 54.6 tttp -105.23 165.54 11.04 Favored 'General case' 0 N--CA 1.496 1.826 0 N-CA-C 108.165 -1.05 . . . . 0.0 108.165 179.267 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 7.9 ttpm? -60.06 -43.33 95.47 Favored 'General case' 0 N--CA 1.495 1.797 0 O-C-N 120.836 -1.165 . . . . 0.0 110.571 -178.56 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . 0.429 ' O ' ' OE1' ' A' ' 34' ' ' GLU . 88.6 p -60.59 -40.39 91.6 Favored 'General case' 0 N--CA 1.495 1.82 0 O-C-N 120.922 -1.111 . . . . 0.0 109.865 -179.742 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 86.4 tt0 -59.99 -37.64 80.25 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.394 -0.816 . . . . 0.0 109.996 -179.897 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 96.0 mt -60.0 -39.94 87.5 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.28 -0.888 . . . . 0.0 111.055 -178.242 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 7.3 ttpm? -60.06 -49.64 76.85 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 120.531 -1.355 . . . . 0.0 110.046 -178.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . 0.481 ' N ' ' OE1' ' A' ' 34' ' ' GLU . 21.7 mp0 -69.93 -40.27 75.62 Favored 'General case' 0 N--CA 1.495 1.803 0 O-C-N 120.945 -1.097 . . . . 0.0 110.11 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.455 ' O ' ' OD1' ' A' ' 38' ' ' ASN . 7.4 tt -61.72 -41.05 97.11 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.34 -0.85 . . . . 0.0 110.145 -179.628 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 86.4 mt -69.55 -39.98 79.08 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.57 0 O-C-N 121.033 -1.042 . . . . 0.0 110.658 -178.782 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 25.7 m-20 -60.06 -40.03 88.05 Favored 'General case' 0 N--CA 1.495 1.8 0 O-C-N 121.008 -1.057 . . . . 0.0 112.191 -178.158 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . 0.455 ' OD1' ' O ' ' A' ' 35' ' ' LEU . 7.6 p-10 -71.22 -40.07 71.33 Favored 'General case' 0 N--CA 1.496 1.847 0 O-C-N 120.447 -1.408 . . . . 0.0 111.878 -178.126 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -91.91 -79.69 0.37 Allowed 'General case' 0 N--CA 1.505 2.286 0 O-C-N 120.599 -1.313 . . . . 0.0 110.924 -178.899 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.5 ' N ' HD12 ' A' ' 40' ' ' LEU . 11.1 mp -72.53 138.58 47.03 Favored 'General case' 0 N--CA 1.496 1.87 0 O-C-N 120.969 -1.082 . . . . 0.0 110.466 -178.515 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 24.6 p -148.2 -54.16 0.2 Allowed 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.579 -0.701 . . . . 0.0 109.535 179.564 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 39.3 m80 -90.62 -12.88 35.6 Favored 'General case' 0 N--CA 1.497 1.909 0 O-C-N 121.109 -0.995 . . . . 0.0 110.445 -179.734 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 59.3 m-85 -59.96 -40.01 87.61 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 120.751 -1.218 . . . . 0.0 108.886 -179.556 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.852 ' N ' HD13 ' A' ' 44' ' ' LEU . 0.0 OUTLIER -108.17 163.95 12.73 Favored 'General case' 0 N--CA 1.5 2.046 0 N-CA-C 107.452 -1.314 . . . . 0.0 107.452 177.764 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 56.5 mp0 -55.22 -61.83 2.07 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 120.447 -1.408 . . . . 0.0 109.466 -178.496 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 81.4 tt0 -179.31 142.7 0.19 Allowed 'General case' 0 N--CA 1.496 1.836 0 N-CA-C 109.088 -0.708 . . . . 0.0 109.088 179.235 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 42.2 mm -84.54 120.09 34.61 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.769 0 O-C-N 121.101 -0.999 . . . . 0.0 108.84 179.562 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 31.1 tttm -161.53 -23.22 0.05 Allowed 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.12 -0.988 . . . . 0.0 109.919 179.763 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . 0.526 ' OE1' ' N ' ' A' ' 49' ' ' GLU . 56.6 mp0 -101.83 139.98 36.74 Favored 'General case' 0 N--CA 1.497 1.903 0 O-C-N 121.25 -0.906 . . . . 0.0 109.255 179.852 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 26.5 mm100 -68.64 -33.6 74.29 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.413 -0.805 . . . . 0.0 109.568 -179.828 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . 0.41 ' OE1' ' N ' ' A' ' 51' ' ' GLU . 59.4 mp0 -60.03 -39.92 87.57 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.31 -0.869 . . . . 0.0 110.335 -179.145 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 71.7 t -60.04 -40.68 83.9 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.616 0 O-C-N 121.085 -1.009 . . . . 0.0 109.634 -178.872 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 54.6 t -69.78 -41.9 79.97 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.505 0 O-C-N 121.109 -0.994 . . . . 0.0 109.546 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 55.5 t0 -59.92 -44.46 94.29 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.289 -0.882 . . . . 0.0 109.637 -179.66 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 63.0 tttp -60.01 -47.49 85.63 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.438 -0.789 . . . . 0.0 110.229 -179.468 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 56.1 t -68.31 -40.52 82.63 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.617 0 O-C-N 121.169 -0.957 . . . . 0.0 109.578 -179.354 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' MET . . . . . 0.458 ' SD ' ' O ' ' A' ' 57' ' ' MET . 0.0 OUTLIER -66.74 -45.06 79.83 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.368 -0.832 . . . . 0.0 110.007 -179.277 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 7.0 tm-20 -66.77 -45.18 79.35 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.317 -0.864 . . . . 0.0 110.788 -179.04 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 94.2 m -65.62 -40.01 92.13 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.043 -1.036 . . . . 0.0 110.215 -179.123 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.48 ' O ' HD23 ' A' ' 60' ' ' LEU . 4.5 tt -64.35 -47.74 78.18 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.175 -0.953 . . . . 0.0 109.46 -179.534 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . 0.529 ' OD2' ' N ' ' A' ' 65' ' ' ASP . 32.1 t0 -76.88 95.79 4.17 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.023 -1.048 . . . . 0.0 109.005 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 90.6 mt-10 -68.73 -39.99 80.11 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.336 -0.853 . . . . 0.0 110.366 -179.112 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . 0.451 ' OD2' ' OD2' ' A' ' 65' ' ' ASP . 31.6 p30 -93.48 1.17 56.89 Favored 'General case' 0 N--CA 1.494 1.768 0 O-C-N 121.106 -0.996 . . . . 0.0 110.25 -179.379 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 61.3 45.77 95.8 Favored Glycine 0 N--CA 1.492 2.387 0 N-CA-C 109.971 -1.252 . . . . 0.0 109.971 179.385 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . 0.529 ' N ' ' OD2' ' A' ' 61' ' ' ASP . 95.2 m-20 -69.82 -18.82 63.48 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.109 -1.23 . . . . 0.0 109.34 179.776 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 88.01 -9.92 72.71 Favored Glycine 0 N--CA 1.491 2.32 0 N-CA-C 108.421 -1.872 . . . . 0.0 108.421 -179.544 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 13.7 pt-20 -144.52 154.26 42.71 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.63 -0.923 . . . . 0.0 109.324 -179.809 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -112.57 129.35 56.4 Favored 'General case' 0 N--CA 1.502 2.148 0 N-CA-C 108.886 -0.783 . . . . 0.0 108.886 179.794 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . 0.517 ' OD1' ' N ' ' A' ' 70' ' ' PHE . 16.3 t70 -90.8 -177.77 5.06 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.296 -0.877 . . . . 0.0 110.056 -179.723 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' PHE . . . . . 0.517 ' N ' ' OD1' ' A' ' 69' ' ' ASP . 27.3 t80 -60.0 -41.37 91.96 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.369 -0.832 . . . . 0.0 109.386 -179.702 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 67.9 tp60 -59.91 -43.24 94.97 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.227 -0.92 . . . . 0.0 109.328 -179.728 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 79.3 mt-10 -69.99 -29.73 66.9 Favored 'General case' 0 C--N 1.303 -1.422 0 O-C-N 121.256 -0.903 . . . . 0.0 109.506 179.896 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 77.2 t80 -59.98 -43.69 94.96 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 120.781 -1.199 . . . . 0.0 109.142 179.225 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 97.3 mmm -60.33 -36.28 77.58 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.262 -0.898 . . . . 0.0 108.909 179.26 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -60.04 -36.39 77.19 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.251 -0.906 . . . . 0.0 109.872 -179.813 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -58.59 -50.92 72.06 Favored 'General case' 0 N--CA 1.491 1.621 0 N-CA-C 108.178 -1.045 . . . . 0.0 108.178 -179.817 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 60.9 t -66.58 -42.61 90.2 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.574 0 O-C-N 121.312 -0.868 . . . . 0.0 110.416 -179.572 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 60.6 p -60.83 -46.19 91.5 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.089 -1.007 . . . . 0.0 110.613 -178.882 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 8.9 ttm -60.21 -49.99 75.43 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 120.984 -1.072 . . . . 0.0 109.99 -179.783 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 79.6 t -67.68 -39.77 82.76 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.49 0 O-C-N 121.573 -0.704 . . . . 0.0 109.801 -179.323 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . 0.499 ' O ' ' SG ' ' A' ' 84' ' ' CYS . 94.4 m -60.13 -40.3 89.28 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.069 -1.02 . . . . 0.0 110.111 -178.363 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 25.5 p -69.72 -38.79 77.03 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 120.869 -1.144 . . . . 0.0 109.286 179.65 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -79.29 -10.65 59.86 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.39 -0.819 . . . . 0.0 109.948 -179.829 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 84' ' ' CYS . . . . . 0.502 ' SG ' ' O ' ' A' ' 84' ' ' CYS . 12.0 p -55.21 125.97 22.88 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.04 -1.037 . . . . 0.0 109.524 -179.558 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 85' ' ' HIS . . . . . 0.474 ' H ' ' CD2' ' A' ' 85' ' ' HIS . 0.6 OUTLIER -106.87 19.86 19.86 Favored 'General case' 0 N--CA 1.498 1.97 0 O-C-N 121.519 -0.738 . . . . 0.0 109.674 -179.802 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 63.7 mm-40 -56.8 134.5 55.18 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.073 -1.017 . . . . 0.0 109.766 -179.386 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 87' ' ' PHE . . . . . 0.454 ' CE1' ' O ' ' A' ' 85' ' ' HIS . 1.9 m-85 -100.9 108.37 20.12 Favored 'General case' 0 N--CA 1.496 1.855 0 O-C-N 121.408 -0.808 . . . . 0.0 109.596 -179.853 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 23.2 m-85 . . . . . 0 N--CA 1.498 1.958 0 N-CA-C 108.152 -1.055 . . . . 0.0 108.152 179.036 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 45.2 t . . . . . 0 N--CA 1.49 1.572 0 CA-C-O 121.571 0.701 . . . . 0.0 109.261 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 99.6 mt-10 -70.0 -31.85 69.73 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.302 -0.874 . . . . 0.0 110.225 -179.846 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 3' ' ' LEU . . . . . 0.519 ' C ' HD23 ' B' ' 3' ' ' LEU . 9.3 tt -59.96 -49.36 77.98 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.208 -0.932 . . . . 0.0 110.584 -178.252 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 1.1 pp20? -61.09 -40.0 92.06 Favored 'General case' 0 N--CA 1.494 1.755 0 O-C-N 120.647 -1.283 . . . . 0.0 109.871 -179.408 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 87.2 tttt -66.3 -40.34 89.93 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 120.978 -1.077 . . . . 0.0 108.963 179.639 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -61.69 -40.7 95.92 Favored 'General case' 0 N--CA 1.488 1.438 0 O-C-N 121.515 -0.74 . . . . 0.0 110.114 -179.637 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 7' ' ' MET . . . . . . . . . . . . . 27.9 ttt -60.01 -39.99 87.71 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.239 -0.913 . . . . 0.0 109.502 -179.54 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 64.6 t -60.23 -39.89 82.05 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.583 0 O-C-N 121.361 -0.837 . . . . 0.0 109.594 179.459 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.59 -40.88 88.92 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.248 -0.908 . . . . 0.0 111.007 -178.227 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 10' ' ' LEU . . . . . 0.423 ' N ' HD22 ' B' ' 10' ' ' LEU . 4.1 mm? -60.04 -50.0 75.44 Favored 'General case' 0 N--CA 1.495 1.813 0 O-C-N 120.676 -1.265 . . . . 0.0 109.714 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 96.8 mt -60.12 -47.94 89.99 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.533 0 O-C-N 120.97 -1.081 . . . . 0.0 109.782 -179.647 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 10.6 t70 -61.5 -48.34 81.51 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.182 -0.949 . . . . 0.0 110.178 -179.643 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 54.6 t -66.87 -43.77 89.33 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.65 0 O-C-N 120.957 -1.089 . . . . 0.0 110.038 -179.356 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 14' ' ' PHE . . . . . . . . . . . . . 65.0 t80 -59.98 -45.68 91.91 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.048 -1.032 . . . . 0.0 110.033 -179.343 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 3.9 t-80 -61.19 -39.93 92.02 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.203 -0.936 . . . . 0.0 110.722 -178.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 65.9 mt-30 -63.87 -58.9 5.37 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 120.917 -1.114 . . . . 0.0 110.576 -178.908 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 49.6 m-85 -64.24 -40.0 95.12 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.02 -1.05 . . . . 0.0 110.263 -179.603 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 60.7 p -65.67 -34.15 77.55 Favored 'General case' 0 C--N 1.298 -1.64 0 O-C-N 121.021 -1.049 . . . . 0.0 109.138 179.845 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -80.7 -14.82 79.16 Favored Glycine 0 N--CA 1.494 2.508 0 C-N-CA 120.096 -1.049 . . . . 0.0 110.535 -179.75 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 23.5 mmt180 -60.08 -39.9 87.7 Favored 'General case' 0 N--CA 1.497 1.888 0 O-C-N 120.836 -1.39 . . . . 0.0 110.486 -179.827 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 13.9 pt-20 -154.35 168.17 27.53 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 120.991 -1.068 . . . . 0.0 110.172 -179.168 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . 101.18 176.19 28.98 Favored Glycine 0 N--CA 1.496 2.677 0 N-CA-C 108.862 -1.695 . . . . 0.0 108.862 -179.683 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 58.0 t0 -59.68 -56.36 22.78 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 120.995 -1.297 . . . . 0.0 108.989 -179.62 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 41.7 mtpt -154.24 -38.82 0.09 Allowed 'General case' 0 N--CA 1.494 1.766 0 O-C-N 121.199 -0.938 . . . . 0.0 110.019 178.734 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 25' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -159.41 75.65 0.66 Allowed 'General case' 0 N--CA 1.489 1.49 0 O-C-N 120.671 -1.268 . . . . 0.0 111.811 -178.744 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 56.6 pttt -144.62 158.81 43.61 Favored 'General case' 0 N--CA 1.497 1.921 0 O-C-N 121.096 -1.003 . . . . 0.0 108.423 177.737 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 89.0 mt -108.38 128.11 54.47 Favored 'General case' 0 N--CA 1.501 2.085 0 O-C-N 121.271 -0.893 . . . . 0.0 110.372 -178.516 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 55.7 tttp -105.45 165.45 11.13 Favored 'General case' 0 N--CA 1.494 1.73 0 N-CA-C 108.201 -1.037 . . . . 0.0 108.201 179.234 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 8.0 ttpm? -60.02 -43.16 95.46 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 120.79 -1.194 . . . . 0.0 110.551 -178.588 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 30' ' ' SER . . . . . 0.427 ' O ' ' OE1' ' B' ' 34' ' ' GLU . 94.7 p -60.61 -40.3 91.36 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 120.895 -1.128 . . . . 0.0 109.922 -179.576 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 85.5 tt0 -60.09 -37.74 80.83 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.383 -0.823 . . . . 0.0 110.072 179.893 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 96.0 mt -60.01 -40.05 87.89 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.196 -0.94 . . . . 0.0 111.017 -178.222 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 7.7 ttpm? -59.97 -49.58 77.13 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 120.415 -1.428 . . . . 0.0 110.116 -178.911 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 34' ' ' GLU . . . . . 0.488 ' OE1' ' N ' ' B' ' 34' ' ' GLU . 22.7 mp0 -69.86 -40.0 76.04 Favored 'General case' 0 N--CA 1.496 1.838 0 O-C-N 120.931 -1.106 . . . . 0.0 110.121 179.774 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 35' ' ' LEU . . . . . 0.462 ' O ' ' OD1' ' B' ' 38' ' ' ASN . 7.7 tt -62.15 -40.75 97.03 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.3 -0.875 . . . . 0.0 110.05 -179.41 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 89.1 mt -69.55 -39.96 79.04 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.597 0 O-C-N 121.156 -0.965 . . . . 0.0 110.722 -178.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 28.0 m-20 -60.03 -39.98 87.75 Favored 'General case' 0 N--CA 1.495 1.776 0 O-C-N 121.109 -0.994 . . . . 0.0 112.306 -178.194 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 38' ' ' ASN . . . . . 0.462 ' OD1' ' O ' ' B' ' 35' ' ' LEU . 7.5 p-10 -71.23 -40.02 71.34 Favored 'General case' 0 N--CA 1.495 1.785 0 O-C-N 120.449 -1.407 . . . . 0.0 111.942 -178.086 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -91.79 -79.75 0.37 Allowed 'General case' 0 N--CA 1.504 2.249 0 O-C-N 120.555 -1.341 . . . . 0.0 110.906 -178.92 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 40' ' ' LEU . . . . . 0.503 HD12 ' N ' ' B' ' 40' ' ' LEU . 11.1 mp -72.69 138.5 46.65 Favored 'General case' 0 N--CA 1.497 1.905 0 O-C-N 120.897 -1.127 . . . . 0.0 110.645 -178.494 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 40.5 p -147.99 -53.63 0.2 Allowed 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.61 -0.682 . . . . 0.0 109.524 179.479 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 42' ' ' HIS . . . . . . . . . . . . . 38.0 m80 -91.0 -12.82 34.68 Favored 'General case' 0 N--CA 1.498 1.933 0 O-C-N 121.125 -0.985 . . . . 0.0 110.296 -179.622 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 57.9 m-85 -60.01 -39.94 87.54 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 120.782 -1.199 . . . . 0.0 108.881 -179.613 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 44' ' ' LEU . . . . . 0.851 ' N ' HD13 ' B' ' 44' ' ' LEU . 0.0 OUTLIER -108.72 163.44 13.26 Favored 'General case' 0 N--CA 1.499 2.013 0 N-CA-C 107.397 -1.335 . . . . 0.0 107.397 177.909 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 56.6 mp0 -54.57 -62.21 1.8 Allowed 'General case' 0 N--CA 1.491 1.594 0 O-C-N 120.579 -1.326 . . . . 0.0 109.468 -178.358 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 81.1 tt0 -179.09 142.77 0.2 Allowed 'General case' 0 N--CA 1.497 1.888 0 N-CA-C 109.042 -0.725 . . . . 0.0 109.042 179.22 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 39.9 mm -84.67 120.25 34.96 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.767 0 O-C-N 120.909 -1.119 . . . . 0.0 108.806 179.519 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 32.0 tttm -161.22 -23.45 0.05 Allowed 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.09 -1.006 . . . . 0.0 109.995 179.812 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 49' ' ' GLU . . . . . 0.511 ' OE1' ' N ' ' B' ' 49' ' ' GLU . 57.7 mp0 -101.93 139.97 36.85 Favored 'General case' 0 N--CA 1.496 1.871 0 O-C-N 121.17 -0.956 . . . . 0.0 109.324 179.884 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 26.3 mm100 -68.37 -33.57 74.5 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.425 -0.797 . . . . 0.0 109.593 -179.867 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 59.7 mp0 -60.03 -39.97 87.73 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.348 -0.845 . . . . 0.0 110.249 -179.044 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 74.5 t -59.99 -40.58 83.48 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.626 0 O-C-N 121.062 -1.024 . . . . 0.0 109.725 -178.825 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 54.5 t -69.96 -41.44 79.42 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.601 0 O-C-N 121.128 -0.983 . . . . 0.0 109.589 179.823 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 56.8 t0 -60.21 -44.48 95.12 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.175 -0.953 . . . . 0.0 109.489 -179.6 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 62.7 tttp -60.12 -47.89 84.02 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.326 -0.858 . . . . 0.0 110.204 -179.534 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 54.6 t -67.66 -41.08 85.14 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.581 0 O-C-N 121.185 -0.947 . . . . 0.0 109.61 -179.211 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 57' ' ' MET . . . . . 0.464 ' SD ' ' O ' ' B' ' 57' ' ' MET . 0.0 OUTLIER -66.29 -45.07 81.69 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.411 -0.806 . . . . 0.0 110.09 -179.261 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 7.4 tm-20 -67.44 -44.4 78.78 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.344 -0.847 . . . . 0.0 110.81 -178.904 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 94.0 m -65.76 -40.06 91.68 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.037 -1.039 . . . . 0.0 110.129 -179.228 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 60' ' ' LEU . . . . . 0.475 ' O ' HD23 ' B' ' 60' ' ' LEU . 4.1 tt -64.23 -48.01 77.48 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.22 -0.925 . . . . 0.0 109.484 -179.662 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 61' ' ' ASP . . . . . 0.523 ' OD2' ' N ' ' B' ' 65' ' ' ASP . 31.4 t0 -76.51 95.62 3.92 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.07 -1.019 . . . . 0.0 109.036 -179.929 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 88.1 mt-10 -68.55 -39.98 80.87 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.361 -0.837 . . . . 0.0 110.462 -179.274 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 63' ' ' ASP . . . . . 0.455 ' OD2' ' OD2' ' B' ' 65' ' ' ASP . 29.7 p30 -93.6 1.48 56.66 Favored 'General case' 0 N--CA 1.498 1.947 0 O-C-N 121.156 -0.965 . . . . 0.0 110.146 -179.374 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 61.03 45.78 95.9 Favored Glycine 0 N--CA 1.491 2.347 0 N-CA-C 110.055 -1.218 . . . . 0.0 110.055 179.478 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 65' ' ' ASP . . . . . 0.523 ' N ' ' OD2' ' B' ' 61' ' ' ASP . 95.4 m-20 -69.64 -19.04 63.63 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.127 -1.22 . . . . 0.0 109.456 179.735 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 87.94 -9.8 73.0 Favored Glycine 0 N--CA 1.491 2.329 0 N-CA-C 108.447 -1.861 . . . . 0.0 108.447 -179.439 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 13.6 pt-20 -144.65 154.29 42.64 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.655 -0.909 . . . . 0.0 109.306 -179.752 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 68' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -112.97 129.45 56.48 Favored 'General case' 0 N--CA 1.502 2.13 0 N-CA-C 108.948 -0.76 . . . . 0.0 108.948 179.91 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 69' ' ' ASP . . . . . 0.513 ' OD1' ' N ' ' B' ' 70' ' ' PHE . 16.3 t70 -90.52 -177.71 5.12 Favored 'General case' 0 N--CA 1.494 1.743 0 O-C-N 121.436 -0.79 . . . . 0.0 110.007 -179.67 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 70' ' ' PHE . . . . . 0.513 ' N ' ' OD1' ' B' ' 69' ' ' ASP . 28.6 t80 -60.0 -41.31 91.83 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.497 -0.752 . . . . 0.0 109.419 -179.859 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 66.2 tp60 -60.02 -43.41 95.27 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.311 -0.868 . . . . 0.0 109.368 -179.793 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 79.8 mt-10 -69.45 -29.97 67.78 Favored 'General case' 0 C--N 1.303 -1.44 0 O-C-N 121.19 -0.944 . . . . 0.0 109.611 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 73' ' ' PHE . . . . . . . . . . . . . 76.2 t80 -60.11 -43.79 95.33 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.002 -1.061 . . . . 0.0 109.136 179.411 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 74' ' ' MET . . . . . . . . . . . . . 97.6 mmm -60.13 -35.54 75.5 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.333 -0.854 . . . . 0.0 108.746 179.159 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -60.08 -37.76 80.86 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.515 -0.74 . . . . 0.0 109.73 -179.83 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -57.89 -51.09 71.04 Favored 'General case' 0 N--CA 1.493 1.715 0 N-CA-C 108.356 -0.979 . . . . 0.0 108.356 -179.792 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 77' ' ' VAL . . . . . . . . . . . . . 60.0 t -66.47 -42.48 90.32 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.529 0 O-C-N 121.379 -0.826 . . . . 0.0 110.367 -179.474 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 78' ' ' SER . . . . . . . . . . . . . 59.7 p -60.59 -46.73 89.13 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.157 -0.964 . . . . 0.0 110.6 -178.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 79' ' ' MET . . . . . . . . . . . . . 9.7 ttm -60.0 -50.05 75.25 Favored 'General case' 0 N--CA 1.494 1.745 0 O-C-N 121.026 -1.046 . . . . 0.0 109.963 -179.596 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 64.0 t -67.83 -39.85 82.6 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.482 0 O-C-N 121.474 -0.766 . . . . 0.0 109.89 -179.093 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 81' ' ' THR . . . . . 0.49 ' O ' ' SG ' ' B' ' 84' ' ' CYS . 87.7 m -59.97 -40.18 88.17 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.226 -0.921 . . . . 0.0 110.127 -178.385 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 29.3 p -69.98 -38.27 75.98 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 120.952 -1.092 . . . . 0.0 109.369 179.607 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -79.47 -11.09 59.91 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.318 -0.864 . . . . 0.0 109.786 -179.874 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 84' ' ' CYS . . . . . 0.5 ' SG ' ' O ' ' B' ' 84' ' ' CYS . 11.4 p -54.88 126.13 23.08 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.169 -0.957 . . . . 0.0 109.758 -179.645 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 85' ' ' HIS . . . . . 0.481 ' O ' ' CE1' ' B' ' 87' ' ' PHE . 0.6 OUTLIER -107.3 19.98 19.58 Favored 'General case' 0 N--CA 1.499 1.995 0 O-C-N 121.499 -0.75 . . . . 0.0 109.588 -179.719 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 63.7 mm-40 -56.86 134.43 55.29 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.189 -0.944 . . . . 0.0 109.549 -179.437 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 87' ' ' PHE . . . . . 0.481 ' CE1' ' O ' ' B' ' 85' ' ' HIS . 2.0 m-85 -100.78 108.56 20.41 Favored 'General case' 0 N--CA 1.494 1.764 0 O-C-N 121.493 -0.755 . . . . 0.0 109.613 -179.841 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 22.8 m-85 . . . . . 0 N--CA 1.498 1.972 0 N-CA-C 108.205 -1.035 . . . . 0.0 108.205 179.099 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 28.2 t . . . . . 0 N--CA 1.489 1.516 0 CA-C-O 121.466 0.651 . . . . 0.0 109.585 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 63.4 mm-40 -59.94 -36.59 77.38 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.487 -0.758 . . . . 0.0 109.319 179.874 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . 0.509 HD13 ' O ' ' A' ' 3' ' ' LEU . 0.3 OUTLIER -59.24 -48.28 82.22 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.337 -0.852 . . . . 0.0 109.298 -179.334 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . 0.483 ' OE1' ' CE1' ' B' ' 43' ' ' PHE . 43.0 mm-40 -60.84 -42.15 97.22 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 120.894 -1.129 . . . . 0.0 109.593 -179.938 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 54.3 mttp -68.76 -38.4 80.07 Favored 'General case' 0 N--CA 1.495 1.797 0 O-C-N 121.425 -0.797 . . . . 0.0 110.622 -179.903 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -59.23 -39.93 84.31 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.086 -1.009 . . . . 0.0 109.359 -179.022 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 36.3 tpp -60.04 -44.49 94.63 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.218 -0.927 . . . . 0.0 108.886 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 76.7 t -69.94 -40.01 78.19 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.716 0 O-C-N 121.301 -0.874 . . . . 0.0 110.06 179.709 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -47.55 -50.84 22.76 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.277 -0.889 . . . . 0.0 110.632 -178.265 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.425 ' N ' HD12 ' A' ' 10' ' ' LEU . 10.0 mp -60.08 -43.12 95.72 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 120.816 -1.178 . . . . 0.0 109.94 -179.45 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 96.7 mt -69.99 -40.04 78.13 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.66 0 O-C-N 121.21 -0.932 . . . . 0.0 111.002 -179.082 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 37.2 t0 -65.23 -49.95 67.71 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.111 -0.993 . . . . 0.0 110.651 -178.698 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 53.9 t -67.2 -46.99 82.94 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.563 0 O-C-N 121.113 -0.992 . . . . 0.0 110.161 -178.933 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 62.5 t80 -60.05 -49.53 77.29 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.121 -0.987 . . . . 0.0 110.321 -179.203 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 86.3 t60 -60.0 -47.57 85.3 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.191 -0.943 . . . . 0.0 110.968 -178.902 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 45.9 mt-30 -64.99 -53.9 38.88 Favored 'General case' 0 C--N 1.3 -1.571 0 O-C-N 121.172 -0.955 . . . . 0.0 111.408 -178.496 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 63.4 t80 -69.74 -40.93 75.87 Favored 'General case' 0 N--CA 1.495 1.78 0 O-C-N 120.995 -1.066 . . . . 0.0 111.239 -178.422 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 23.3 t -64.3 -40.17 95.4 Favored 'General case' 0 N--CA 1.494 1.736 0 O-C-N 121.123 -0.986 . . . . 0.0 111.408 -178.487 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -69.6 -14.7 70.05 Favored Glycine 0 N--CA 1.495 2.611 0 C-N-CA 119.856 -1.164 . . . . 0.0 110.999 -178.287 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 19.7 mmt180 -63.1 -40.02 96.4 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 120.917 -1.343 . . . . 0.0 109.971 -179.709 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 77.6 mm-40 -113.56 129.81 56.48 Favored 'General case' 0 N--CA 1.5 2.039 0 O-C-N 121.456 -0.777 . . . . 0.0 109.763 -179.428 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 84.22 -13.54 49.76 Favored Glycine 0 N--CA 1.495 2.6 0 N-CA-C 110.007 -1.237 . . . . 0.0 110.007 179.518 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 45.3 t0 50.07 40.01 20.49 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.215 -1.168 . . . . 0.0 109.612 -179.917 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 28.5 ttmt -160.11 -125.49 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.092 -1.005 . . . . 0.0 108.893 179.681 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 97.6 m-70 -146.38 75.86 1.42 Allowed 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.029 -1.044 . . . . 0.0 109.358 179.815 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -145.78 147.5 31.94 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.41 -0.806 . . . . 0.0 109.399 179.568 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 41.3 mt -128.95 126.93 40.7 Favored 'General case' 0 N--CA 1.496 1.84 0 N-CA-C 108.503 -0.925 . . . . 0.0 108.503 179.627 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.479 ' HG3' ' H ' ' A' ' 31' ' ' GLU . 0.1 OUTLIER -100.77 -176.62 3.23 Favored 'General case' 0 N--CA 1.498 1.928 0 O-C-N 121.335 -0.853 . . . . 0.0 109.11 179.722 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 1.6 mppt? -60.06 -49.52 77.34 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.195 -0.94 . . . . 0.0 110.608 -178.828 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 62.7 m -63.03 -43.2 99.36 Favored 'General case' 0 N--CA 1.495 1.781 0 O-C-N 121.136 -0.977 . . . . 0.0 110.864 -179.047 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . 0.479 ' H ' ' HG3' ' A' ' 28' ' ' LYS . 84.7 tt0 -64.64 -39.96 94.63 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.299 -0.876 . . . . 0.0 110.532 -179.025 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 55.5 tp -59.97 -49.38 77.92 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.187 -0.946 . . . . 0.0 109.327 -178.738 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 9.6 mtpm? -60.73 -40.17 91.37 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.093 -1.004 . . . . 0.0 109.833 179.911 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 72.7 mm-40 -65.73 -39.98 91.7 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.311 -0.868 . . . . 0.0 110.074 -179.722 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.622 ' O ' HD23 ' A' ' 35' ' ' LEU . 3.1 tt -60.67 -46.13 91.51 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.173 -0.955 . . . . 0.0 109.061 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 89.1 mt -60.02 -42.47 89.78 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.653 0 O-C-N 121.195 -0.941 . . . . 0.0 109.805 -179.754 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 82.5 m-20 -72.04 -15.73 62.04 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.344 -0.847 . . . . 0.0 110.239 -179.514 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . 0.429 ' OD1' ' OE1' ' A' ' 39' ' ' GLU . 41.4 t-20 -59.89 -50.11 75.05 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.093 -1.004 . . . . 0.0 110.677 -178.259 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . 0.429 ' OE1' ' OD1' ' A' ' 38' ' ' ASN . 0.6 OUTLIER -154.58 -14.85 0.12 Allowed 'General case' 0 N--CA 1.501 2.078 0 O-C-N 120.542 -1.349 . . . . 0.0 110.21 179.099 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.431 ' N ' HD12 ' A' ' 40' ' ' LEU . 11.1 mp -85.47 7.86 21.21 Favored 'General case' 0 N--CA 1.495 1.78 0 O-C-N 120.887 -1.133 . . . . 0.0 109.049 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 38.9 p -59.99 -39.94 87.46 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.291 -0.88 . . . . 0.0 109.53 179.905 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 46.7 t-80 -63.49 -42.14 98.55 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.227 -0.921 . . . . 0.0 110.085 -179.553 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . 0.502 ' CE1' ' OE1' ' B' ' 4' ' ' GLU . 4.4 m-85 -69.26 -46.89 66.17 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.161 -0.962 . . . . 0.0 110.245 -179.516 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 66.2 mt -116.63 130.06 56.52 Favored 'General case' 0 N--CA 1.499 1.993 0 O-C-N 121.488 -0.758 . . . . 0.0 109.68 -179.217 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . 0.4 ' O ' ' CD ' ' A' ' 45' ' ' GLU . 11.4 tm-20 -150.91 10.55 0.62 Allowed 'General case' 0 N--CA 1.491 1.607 0 N-CA-C 108.777 -0.823 . . . . 0.0 108.777 -179.812 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -78.25 -10.03 59.48 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.084 -1.01 . . . . 0.0 109.526 -179.887 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 94.5 mt -73.85 127.6 35.78 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.393 0 C-N-CA 119.482 -0.887 . . . . 0.0 109.466 -179.728 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 41.2 tttp -136.35 -53.49 0.73 Allowed 'General case' 0 N--CA 1.494 1.764 0 O-C-N 121.547 -0.721 . . . . 0.0 109.194 -179.813 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 27.1 mp0 -93.29 148.52 21.97 Favored 'General case' 0 N--CA 1.497 1.924 0 O-C-N 121.066 -1.021 . . . . 0.0 109.619 179.423 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 3.1 mp0 -60.0 -32.01 70.46 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.373 -0.83 . . . . 0.0 109.641 -179.933 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -59.82 -37.46 79.26 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.336 -0.853 . . . . 0.0 109.505 -179.223 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 53.5 t -59.98 -40.32 82.72 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.515 0 O-C-N 121.156 -0.965 . . . . 0.0 109.186 -179.629 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 54.4 t -64.97 -41.22 91.54 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.606 0 O-C-N 121.024 -1.048 . . . . 0.0 109.226 179.277 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 8.4 t70 -60.41 -43.25 96.89 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.224 -0.923 . . . . 0.0 109.529 179.901 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 32.9 ttmt -59.95 -43.5 94.97 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.456 -0.778 . . . . 0.0 109.949 -179.757 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 53.8 t -66.01 -40.16 86.53 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.499 0 O-C-N 121.228 -0.92 . . . . 0.0 109.649 -179.419 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 3.7 ttt -63.6 -44.92 92.58 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.154 -0.966 . . . . 0.0 110.333 -179.675 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 38.4 mm-40 -61.81 -40.22 94.47 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 120.946 -1.096 . . . . 0.0 109.638 -179.835 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 94.4 m -70.07 -43.33 71.4 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.396 -0.815 . . . . 0.0 109.72 179.612 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 34.3 tp -62.52 -46.91 86.25 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.45 -0.781 . . . . 0.0 110.563 -179.391 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 95.8 m-20 -80.22 111.32 16.48 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.079 -1.013 . . . . 0.0 109.522 -179.297 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 26.0 mp0 -70.0 -39.79 75.68 Favored 'General case' 0 C--N 1.303 -1.445 0 O-C-N 121.565 -0.71 . . . . 0.0 109.902 -179.788 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . 0.402 ' OD1' ' N ' ' A' ' 63' ' ' ASP . 36.7 p-10 -86.99 -6.77 58.65 Favored 'General case' 0 N--CA 1.495 1.822 0 O-C-N 121.183 -0.948 . . . . 0.0 110.351 -179.306 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 56.89 43.15 92.66 Favored Glycine 0 N--CA 1.49 2.297 0 N-CA-C 109.797 -1.321 . . . . 0.0 109.797 179.619 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 33.3 p-10 -68.44 -20.33 64.63 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 120.962 -1.316 . . . . 0.0 109.385 -179.792 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 102.34 -11.84 56.91 Favored Glycine 0 N--CA 1.499 2.889 0 N-CA-C 110.422 -1.071 . . . . 0.0 110.422 179.391 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 20.8 pt-20 -141.44 155.44 45.86 Favored 'General case' 0 N--CA 1.497 1.891 0 O-C-N 120.979 -1.306 . . . . 0.0 109.358 179.715 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 98.1 m -102.15 123.85 46.72 Favored 'General case' 0 N--CA 1.499 2.007 0 O-C-N 121.322 -0.861 . . . . 0.0 109.942 -179.458 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 71.9 m-20 -96.68 175.82 6.24 Favored 'General case' 0 N--CA 1.496 1.837 0 O-C-N 121.476 -0.765 . . . . 0.0 109.663 -179.855 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 73.8 t80 -60.07 -41.45 92.44 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.313 -0.867 . . . . 0.0 110.365 -179.596 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 93.0 mt-30 -60.0 -42.02 93.33 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 120.753 -1.217 . . . . 0.0 109.788 179.805 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 76.9 mt-10 -68.8 -38.32 79.85 Favored 'General case' 0 C--N 1.302 -1.482 0 O-C-N 121.446 -0.784 . . . . 0.0 110.021 -179.601 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 64.4 t80 -60.0 -40.45 89.23 Favored 'General case' 0 N--CA 1.494 1.733 0 O-C-N 121.175 -0.953 . . . . 0.0 110.604 -179.474 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' MET . . . . . 0.523 ' SD ' ' O ' ' A' ' 74' ' ' MET . 0.0 OUTLIER -60.11 -40.6 90.24 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 120.833 -1.167 . . . . 0.0 108.524 -179.748 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -60.78 -38.6 85.84 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.429 -0.794 . . . . 0.0 109.985 179.29 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 66.0 t80 -60.01 -44.11 94.8 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.259 -0.901 . . . . 0.0 110.231 -179.168 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 61.4 t -60.01 -44.27 94.38 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.474 0 O-C-N 120.973 -1.079 . . . . 0.0 109.035 179.837 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 57.2 m -60.1 -39.96 87.98 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.366 -0.833 . . . . 0.0 110.395 -179.534 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 95.5 mtp -64.57 -40.01 94.79 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.203 -0.936 . . . . 0.0 109.92 -179.49 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 83.4 t -69.37 -41.77 80.96 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.499 0 O-C-N 121.214 -0.929 . . . . 0.0 109.408 -179.68 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . 0.424 ' O ' ' SG ' ' A' ' 84' ' ' CYS . 94.4 m -64.6 -42.74 95.37 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.243 -0.911 . . . . 0.0 109.474 -179.705 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 28.7 p -70.54 -38.75 74.23 Favored 'General case' 0 C--N 1.302 -1.484 0 O-C-N 121.214 -0.929 . . . . 0.0 109.385 179.541 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -68.04 -40.09 82.92 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.323 -0.86 . . . . 0.0 110.145 -179.814 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 84' ' ' CYS . . . . . 0.424 ' SG ' ' O ' ' A' ' 81' ' ' THR . 14.5 p -61.98 150.39 38.02 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.099 -1.001 . . . . 0.0 109.477 -179.773 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 16.3 m-70 -72.6 149.65 43.78 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.215 -0.928 . . . . 0.0 109.674 -179.606 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 92.1 mt-10 -67.58 -39.98 84.86 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.223 -0.923 . . . . 0.0 109.702 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 8.6 m-85 -92.65 100.47 12.97 Favored 'General case' 0 N--CA 1.496 1.844 0 O-C-N 121.206 -0.933 . . . . 0.0 110.57 -178.89 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 15.9 t80 . . . . . 0 N--CA 1.496 1.863 0 N-CA-C 108.17 -1.048 . . . . 0.0 108.17 178.543 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 32.6 t . . . . . 0 N--CA 1.489 1.511 0 CA-C-O 121.435 0.636 . . . . 0.0 109.515 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 62.4 mm-40 -60.04 -36.41 77.25 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.46 -0.775 . . . . 0.0 109.425 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 3' ' ' LEU . . . . . 0.503 HD13 ' O ' ' B' ' 3' ' ' LEU . 0.3 OUTLIER -59.62 -47.92 83.68 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.276 -0.89 . . . . 0.0 109.276 -179.267 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' B' B ' 4' ' ' GLU . . . . . 0.502 ' OE1' ' CE1' ' A' ' 43' ' ' PHE . 42.9 mm-40 -60.62 -42.35 96.69 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 120.858 -1.151 . . . . 0.0 109.673 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 55.6 mttp -68.93 -37.76 79.1 Favored 'General case' 0 N--CA 1.496 1.837 0 O-C-N 121.415 -0.803 . . . . 0.0 110.658 -179.83 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -59.37 -40.05 85.27 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.167 -0.958 . . . . 0.0 109.183 -179.132 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 7' ' ' MET . . . . . . . . . . . . . 36.5 tpp -59.97 -44.61 94.35 Favored 'General case' 0 C--N 1.301 -1.535 0 O-C-N 121.273 -0.892 . . . . 0.0 108.902 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 73.8 t -69.98 -39.92 78.01 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.667 0 O-C-N 121.463 -0.773 . . . . 0.0 110.099 179.899 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -47.87 -50.87 25.12 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.302 -0.874 . . . . 0.0 110.669 -178.237 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 10' ' ' LEU . . . . . 0.426 HD12 ' N ' ' B' ' 10' ' ' LEU . 9.5 mp -60.15 -43.12 96.02 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 120.979 -1.076 . . . . 0.0 109.838 -179.483 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 96.9 mt -69.95 -39.96 78.12 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.641 0 O-C-N 121.081 -1.012 . . . . 0.0 110.974 -179.027 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 37.9 t0 -65.18 -49.98 67.71 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 120.899 -1.126 . . . . 0.0 110.604 -178.766 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 67.5 t -67.16 -46.96 83.1 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.597 0 O-C-N 121.182 -0.949 . . . . 0.0 110.129 -178.804 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 14' ' ' PHE . . . . . . . . . . . . . 62.1 t80 -59.93 -49.63 76.94 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 120.995 -1.066 . . . . 0.0 110.338 -179.23 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 86.4 t60 -60.02 -47.81 84.31 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.226 -0.921 . . . . 0.0 110.849 -178.811 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 46.3 mt-30 -64.84 -53.9 39.51 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.027 -1.046 . . . . 0.0 111.381 -178.459 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 62.9 t80 -69.74 -40.93 75.88 Favored 'General case' 0 N--CA 1.496 1.84 0 O-C-N 120.961 -1.087 . . . . 0.0 111.275 -178.395 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 23.2 t -64.5 -39.93 94.71 Favored 'General case' 0 N--CA 1.495 1.775 0 O-C-N 121.039 -1.038 . . . . 0.0 111.573 -178.463 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -70.04 -14.24 70.66 Favored Glycine 0 N--CA 1.495 2.6 0 C-N-CA 119.833 -1.175 . . . . 0.0 110.828 -178.214 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 19.9 mmt180 -63.18 -39.98 96.2 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 120.795 -1.415 . . . . 0.0 110.046 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 77.3 mm-40 -113.72 129.29 56.6 Favored 'General case' 0 N--CA 1.5 2.029 0 O-C-N 121.514 -0.741 . . . . 0.0 109.823 -179.441 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . 84.8 -13.39 53.54 Favored Glycine 0 N--CA 1.494 2.531 0 N-CA-C 109.944 -1.262 . . . . 0.0 109.944 179.464 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 43.9 t0 50.01 40.04 20.32 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.235 -1.156 . . . . 0.0 109.79 -179.884 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 29.2 ttmt -160.18 -125.19 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.216 -0.927 . . . . 0.0 108.952 179.761 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 25' ' ' HIS . . . . . . . . . . . . . 97.9 m-70 -146.77 75.38 1.39 Allowed 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.042 -1.036 . . . . 0.0 109.307 179.927 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -145.31 147.65 32.56 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 121.47 -0.768 . . . . 0.0 109.377 179.46 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 46.8 mt -128.73 127.07 41.35 Favored 'General case' 0 N--CA 1.495 1.811 0 N-CA-C 108.515 -0.92 . . . . 0.0 108.515 179.573 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 28' ' ' LYS . . . . . 0.472 ' HG3' ' H ' ' B' ' 31' ' ' GLU . 0.1 OUTLIER -100.86 -176.71 3.25 Favored 'General case' 0 N--CA 1.498 1.938 0 O-C-N 121.327 -0.858 . . . . 0.0 109.078 179.582 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 1.8 mppt? -59.95 -49.73 76.55 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.284 -0.885 . . . . 0.0 110.553 -179.003 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 68.1 m -62.86 -43.57 98.46 Favored 'General case' 0 N--CA 1.495 1.808 0 O-C-N 121.097 -1.002 . . . . 0.0 110.852 -179.029 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 31' ' ' GLU . . . . . 0.472 ' H ' ' HG3' ' B' ' 28' ' ' LYS . 85.6 tt0 -64.41 -39.96 94.85 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.303 -0.873 . . . . 0.0 110.55 -179.018 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 63.5 tp -59.95 -49.43 77.7 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.2 -0.938 . . . . 0.0 109.362 -178.768 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 9.8 mtpm? -60.55 -40.36 91.31 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.097 -1.002 . . . . 0.0 109.835 179.804 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 72.7 mm-40 -65.56 -40.04 92.35 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.344 -0.847 . . . . 0.0 110.052 -179.69 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 35' ' ' LEU . . . . . 0.618 ' O ' HD23 ' B' ' 35' ' ' LEU . 2.8 tt -60.61 -46.16 91.3 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.052 -1.03 . . . . 0.0 109.096 -179.94 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 89.3 mt -60.03 -42.54 90.06 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.643 0 O-C-N 121.179 -0.951 . . . . 0.0 109.797 -179.746 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 82.6 m-20 -72.07 -15.47 62.02 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.359 -0.838 . . . . 0.0 110.281 -179.588 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 38' ' ' ASN . . . . . 0.415 ' OD1' ' OE1' ' B' ' 39' ' ' GLU . 41.2 t-20 -60.03 -50.03 75.32 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.204 -0.935 . . . . 0.0 110.696 -178.357 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 39' ' ' GLU . . . . . 0.415 ' OE1' ' OD1' ' B' ' 38' ' ' ASN . 0.7 OUTLIER -154.71 -14.97 0.12 Allowed 'General case' 0 N--CA 1.499 2.017 0 O-C-N 120.497 -1.377 . . . . 0.0 110.263 179.095 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' B' B ' 40' ' ' LEU . . . . . 0.415 HD12 ' N ' ' B' ' 40' ' ' LEU . 11.0 mp -85.31 7.66 21.47 Favored 'General case' 0 N--CA 1.495 1.795 0 O-C-N 120.911 -1.118 . . . . 0.0 109.053 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 28.0 p -59.94 -39.96 87.32 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.355 -0.841 . . . . 0.0 109.634 179.844 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 42' ' ' HIS . . . . . . . . . . . . . 47.0 t-80 -63.38 -42.53 98.84 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.245 -0.909 . . . . 0.0 110.037 -179.525 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 43' ' ' PHE . . . . . 0.483 ' CE1' ' OE1' ' A' ' 4' ' ' GLU . 4.4 m-85 -69.09 -46.67 67.17 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.199 -0.938 . . . . 0.0 110.14 -179.473 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 69.3 mt -116.62 129.89 56.42 Favored 'General case' 0 N--CA 1.499 1.982 0 O-C-N 121.487 -0.758 . . . . 0.0 109.717 -179.086 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 45' ' ' GLU . . . . . 0.4 ' O ' ' CD ' ' B' ' 45' ' ' GLU . 11.3 tm-20 -150.95 10.78 0.63 Allowed 'General case' 0 N--CA 1.492 1.65 0 N-CA-C 108.839 -0.8 . . . . 0.0 108.839 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -78.52 -10.04 59.57 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.021 -1.049 . . . . 0.0 109.594 -179.871 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 90.3 mt -73.54 127.36 35.39 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.459 0 O-C-N 121.165 -0.96 . . . . 0.0 109.331 -179.876 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 43.0 tttp -135.89 -53.7 0.76 Allowed 'General case' 0 N--CA 1.493 1.724 0 N-CA-C 109.041 -0.725 . . . . 0.0 109.041 -179.788 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 27.2 mp0 -93.45 148.93 21.63 Favored 'General case' 0 N--CA 1.498 1.971 0 O-C-N 121.237 -0.914 . . . . 0.0 109.718 179.564 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 3.2 mp0 -60.01 -32.17 70.62 Favored 'General case' 0 N--CA 1.494 1.768 0 O-C-N 121.393 -0.817 . . . . 0.0 109.631 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -60.06 -37.09 78.83 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.296 -0.878 . . . . 0.0 109.521 -179.337 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 58.1 t -60.03 -40.86 84.4 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.493 0 O-C-N 121.219 -0.925 . . . . 0.0 109.242 -179.889 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 54.4 t -64.83 -41.39 92.05 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.587 0 O-C-N 121.004 -1.06 . . . . 0.0 109.046 179.756 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 8.4 t70 -60.18 -42.75 95.68 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.22 -0.925 . . . . 0.0 109.594 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 33.2 ttmt -60.68 -42.92 98.08 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.3 -0.875 . . . . 0.0 109.821 -179.79 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 77.5 t -66.3 -40.11 85.94 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.479 0 O-C-N 121.23 -0.918 . . . . 0.0 109.62 -179.537 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 57' ' ' MET . . . . . . . . . . . . . 3.8 ttt -63.71 -44.54 93.3 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.146 -0.971 . . . . 0.0 110.344 -179.43 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 38.2 mm-40 -62.2 -40.18 95.22 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 120.994 -1.066 . . . . 0.0 109.603 -179.882 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 94.2 m -70.01 -43.33 71.59 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.31 -0.869 . . . . 0.0 109.753 179.625 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 35.7 tp -62.46 -47.08 85.6 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.51 -0.744 . . . . 0.0 110.595 -179.454 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 95.5 m-20 -80.07 111.22 16.21 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.096 -1.002 . . . . 0.0 109.598 -179.348 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 25.9 mp0 -69.97 -39.96 75.66 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.566 -0.709 . . . . 0.0 109.86 -179.694 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 37.3 p-10 -86.71 -7.04 58.64 Favored 'General case' 0 N--CA 1.495 1.792 0 O-C-N 121.278 -0.889 . . . . 0.0 110.341 -179.483 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 57.01 42.96 93.24 Favored Glycine 0 N--CA 1.49 2.282 0 N-CA-C 109.872 -1.291 . . . . 0.0 109.872 179.623 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 33.7 p-10 -68.38 -20.33 64.68 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.0 -1.294 . . . . 0.0 109.295 -179.762 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 102.3 -11.39 56.91 Favored Glycine 0 N--CA 1.498 2.827 0 N-CA-C 110.507 -1.037 . . . . 0.0 110.507 179.281 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 20.7 pt-20 -141.59 155.05 45.78 Favored 'General case' 0 N--CA 1.497 1.891 0 O-C-N 121.081 -1.247 . . . . 0.0 109.266 179.663 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 68' ' ' CYS . . . . . . . . . . . . . 83.5 m -101.83 124.06 46.83 Favored 'General case' 0 N--CA 1.5 2.043 0 O-C-N 121.31 -0.869 . . . . 0.0 109.934 -179.509 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 73.0 m-20 -96.71 175.64 6.3 Favored 'General case' 0 N--CA 1.495 1.802 0 O-C-N 121.551 -0.718 . . . . 0.0 109.607 -179.891 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 71.3 t80 -60.03 -41.09 91.5 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.362 -0.836 . . . . 0.0 110.3 -179.571 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 90.1 mt-30 -60.02 -42.5 94.47 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 120.941 -1.099 . . . . 0.0 109.724 179.904 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 76.1 mt-10 -68.7 -38.02 79.98 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.311 -0.868 . . . . 0.0 109.99 -179.671 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 73' ' ' PHE . . . . . . . . . . . . . 64.7 t80 -60.03 -40.38 89.13 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.097 -1.002 . . . . 0.0 110.639 -179.358 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 74' ' ' MET . . . . . 0.515 ' SD ' ' O ' ' B' ' 74' ' ' MET . 0.0 OUTLIER -60.04 -40.69 90.25 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 120.923 -1.11 . . . . 0.0 108.501 -179.823 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -60.85 -38.8 86.75 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.485 -0.759 . . . . 0.0 110.015 179.415 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 64.7 t80 -59.97 -43.88 94.82 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.294 -0.878 . . . . 0.0 110.237 -179.168 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 77' ' ' VAL . . . . . . . . . . . . . 53.4 t -60.07 -44.57 95.21 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.511 0 O-C-N 121.033 -1.042 . . . . 0.0 109.043 179.746 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 78' ' ' SER . . . . . 0.431 ' OG ' ' SD ' ' A' ' 74' ' ' MET . 52.3 m -59.97 -40.07 87.82 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.481 -0.762 . . . . 0.0 110.371 -179.449 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 79' ' ' MET . . . . . . . . . . . . . 96.6 mtp -64.28 -40.05 95.17 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.094 -1.004 . . . . 0.0 109.932 -179.395 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 73.8 t -69.43 -41.68 80.78 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.413 0 O-C-N 121.229 -0.92 . . . . 0.0 109.482 -179.773 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 81' ' ' THR . . . . . 0.436 ' O ' ' SG ' ' B' ' 84' ' ' CYS . 94.7 m -64.48 -42.9 95.61 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.229 -0.92 . . . . 0.0 109.6 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 20.2 p -70.38 -39.11 74.75 Favored 'General case' 0 C--N 1.302 -1.49 0 O-C-N 121.176 -0.953 . . . . 0.0 109.363 179.432 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -67.72 -39.98 84.27 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.415 -0.803 . . . . 0.0 110.259 -179.605 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 84' ' ' CYS . . . . . 0.436 ' SG ' ' O ' ' B' ' 81' ' ' THR . 14.7 p -62.24 150.33 39.37 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 120.943 -1.098 . . . . 0.0 109.431 -179.904 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 85' ' ' HIS . . . . . . . . . . . . . 16.3 m-70 -72.36 149.98 43.87 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.209 -0.932 . . . . 0.0 109.622 -179.648 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 92.2 mt-10 -67.92 -40.05 83.42 Favored 'General case' 0 N--CA 1.488 1.454 0 O-C-N 121.305 -0.872 . . . . 0.0 109.698 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 87' ' ' PHE . . . . . . . . . . . . . 7.9 m-85 -92.6 100.53 13.03 Favored 'General case' 0 N--CA 1.496 1.853 0 O-C-N 121.199 -0.938 . . . . 0.0 110.468 -178.874 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 15.9 t80 . . . . . 0 N--CA 1.496 1.848 0 N-CA-C 108.167 -1.049 . . . . 0.0 108.167 178.535 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 1.9 t . . . . . 0 N--CA 1.489 1.482 0 N-CA-C 109.159 -0.682 . . . . 0.0 109.159 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 95.4 mt-10 -60.08 -31.2 69.79 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.206 -0.934 . . . . 0.0 109.144 179.835 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 65.1 tp -60.0 -48.61 81.0 Favored 'General case' 0 N--CA 1.488 1.455 0 O-C-N 121.205 -0.934 . . . . 0.0 109.074 -179.674 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 85.6 tt0 -60.12 -40.42 89.67 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.153 -0.967 . . . . 0.0 109.091 179.664 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 17.2 mtpp -67.07 -36.25 81.6 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.556 -0.715 . . . . 0.0 109.725 -179.935 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -59.97 -43.33 95.14 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.386 -0.821 . . . . 0.0 109.981 -178.745 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 57.1 mtt -60.06 -42.95 95.62 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 120.827 -1.171 . . . . 0.0 108.962 179.503 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 53.9 t -69.95 -40.09 78.26 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.45 0 O-C-N 121.353 -0.842 . . . . 0.0 109.131 179.335 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.01 -43.78 94.99 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.475 -0.766 . . . . 0.0 110.631 -179.301 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 1.2 mt -60.02 -49.73 76.5 Favored 'General case' 0 N--CA 1.494 1.746 0 O-C-N 121.053 -1.029 . . . . 0.0 109.46 -179.52 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 96.7 mt -60.58 -45.63 96.9 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.486 0 O-C-N 121.131 -0.981 . . . . 0.0 109.958 -179.907 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 95.9 m-20 -61.28 -41.38 96.85 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.363 -0.836 . . . . 0.0 110.709 -178.538 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 53.8 t -70.02 -46.21 73.82 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.736 0 O-C-N 120.871 -1.143 . . . . 0.0 110.128 -179.115 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 65.3 t80 -60.03 -41.24 91.79 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.144 -0.972 . . . . 0.0 110.173 -179.481 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 52.4 t-80 -60.75 -46.35 90.79 Favored 'General case' 0 C--N 1.3 -1.552 0 O-C-N 121.353 -0.842 . . . . 0.0 110.956 -179.278 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 74.1 mt-30 -60.93 -50.76 72.1 Favored 'General case' 0 N--CA 1.495 1.818 0 O-C-N 120.987 -1.071 . . . . 0.0 111.143 -178.639 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 63.8 m-85 -71.0 -37.59 72.68 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 121.006 -1.059 . . . . 0.0 110.309 -179.721 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . 0.493 ' O ' ' O ' ' A' ' 23' ' ' ASP . 72.0 m -60.08 -41.19 91.93 Favored 'General case' 0 C--N 1.299 -1.6 0 O-C-N 121.122 -0.986 . . . . 0.0 110.142 -178.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -75.47 19.73 2.37 Favored Glycine 0 N--CA 1.493 2.474 0 C-N-CA 120.085 -1.055 . . . . 0.0 110.602 -179.386 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . 0.43 ' NH1' ' OE1' ' A' ' 34' ' ' GLU . 66.9 ttt180 -59.99 -44.96 94.17 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.11 -1.23 . . . . 0.0 110.412 -179.676 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.433 ' O ' ' C ' ' A' ' 22' ' ' GLY . 82.0 tt0 -164.97 114.4 1.09 Allowed 'General case' 0 N--CA 1.493 1.71 0 O-C-N 120.682 -1.261 . . . . 0.0 111.241 -179.551 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . 0.433 ' C ' ' O ' ' A' ' 21' ' ' GLU . . . 32.64 41.54 0.11 Allowed Glycine 0 N--CA 1.502 3.066 0 N-CA-C 111.872 -0.491 . . . . 0.0 111.872 178.291 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . 0.493 ' O ' ' O ' ' A' ' 18' ' ' SER . 34.0 m-20 -144.45 84.16 1.74 Allowed 'General case' 0 N--CA 1.5 2.05 0 O-C-N 121.004 -1.291 . . . . 0.0 109.498 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 2.9 mmmm -92.54 -41.53 10.19 Favored 'General case' 0 N--CA 1.497 1.899 0 O-C-N 120.798 -1.189 . . . . 0.0 110.708 -179.068 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' HIS . . . . . 0.428 ' H ' ' CD2' ' A' ' 25' ' ' HIS . 8.8 p80 -111.94 17.07 20.03 Favored 'General case' 0 N--CA 1.503 2.206 0 O-C-N 121.229 -0.919 . . . . 0.0 111.162 -178.26 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 63.0 mttm -140.51 144.94 36.26 Favored 'General case' 0 N--CA 1.498 1.93 0 O-C-N 121.025 -1.047 . . . . 0.0 109.006 178.546 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 2.3 tp -124.89 129.37 50.26 Favored 'General case' 0 N--CA 1.498 1.936 0 N-CA-C 108.272 -1.01 . . . . 0.0 108.272 -179.936 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.409 ' H ' ' HG2' ' A' ' 28' ' ' LYS . 46.4 pttt -110.52 -177.22 3.18 Favored 'General case' 0 N--CA 1.5 2.038 0 CA-C-O 121.82 0.819 . . . . 0.0 111.131 -178.476 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 34.0 mtmt -60.01 -40.04 87.89 Favored 'General case' 0 N--CA 1.496 1.846 0 N-CA-C 112.707 0.632 . . . . 0.0 112.707 -178.115 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 73.1 m -60.06 -42.16 93.89 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 120.7 -1.25 . . . . 0.0 110.525 -177.693 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 -72.58 -39.81 67.09 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.127 -0.983 . . . . 0.0 110.745 179.738 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 53.4 tp -59.97 -41.07 91.17 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.2 -0.938 . . . . 0.0 109.164 -179.134 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 78.8 tttt -61.91 -40.73 96.46 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.678 -0.639 . . . . 0.0 110.958 -179.803 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . 0.43 ' OE1' ' NH1' ' A' ' 20' ' ' ARG . 81.5 tt0 -66.11 -39.98 90.36 Favored 'General case' 0 N--CA 1.495 1.787 0 O-C-N 120.884 -1.135 . . . . 0.0 111.233 -178.544 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 16.0 mt -66.72 -39.97 88.22 Favored 'General case' 0 N--CA 1.495 1.822 0 O-C-N 120.909 -1.12 . . . . 0.0 110.839 -179.154 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 89.1 mt -66.27 -39.88 85.39 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.643 0 O-C-N 120.912 -1.118 . . . . 0.0 110.755 -178.764 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 10.0 t-20 -79.05 -19.57 51.03 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.099 -1.001 . . . . 0.0 110.7 -179.351 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 48.5 t-20 -65.94 -59.85 3.42 Favored 'General case' 0 N--CA 1.494 1.745 0 O-C-N 120.994 -1.066 . . . . 0.0 111.538 -178.186 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 1.5 pm0 -149.54 22.57 0.91 Allowed 'General case' 0 N--CA 1.502 2.166 0 O-C-N 120.514 -1.366 . . . . 0.0 111.327 -179.323 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 5.1 mt -127.74 16.26 6.93 Favored 'General case' 0 N--CA 1.505 2.287 0 O-C-N 121.097 -1.002 . . . . 0.0 109.732 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 84.1 p -69.97 -36.15 75.0 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.041 -1.037 . . . . 0.0 110.109 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 16.8 m170 -61.36 -40.06 92.93 Favored 'General case' 0 N--CA 1.495 1.79 0 O-C-N 121.05 -1.031 . . . . 0.0 111.189 -178.885 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 41.8 m-85 -61.62 -47.12 86.87 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 120.847 -1.158 . . . . 0.0 110.426 -178.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 92.8 mt -93.86 -71.85 0.64 Allowed 'General case' 0 N--CA 1.495 1.819 0 O-C-N 121.043 -1.036 . . . . 0.0 109.817 -179.743 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 1.4 tm-20 63.74 3.78 1.67 Allowed 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.243 -0.911 . . . . 0.0 109.127 -179.668 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 2.6 tm-20 -94.25 -1.45 53.98 Favored 'General case' 0 N--CA 1.495 1.823 0 O-C-N 121.303 -0.873 . . . . 0.0 109.046 179.865 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 7.7 mm -79.4 129.61 37.32 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.536 0 O-C-N 121.07 -1.019 . . . . 0.0 109.702 -179.544 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 4.7 tmtm? -153.56 -39.57 0.1 Allowed 'General case' 0 N--CA 1.49 1.566 0 N-CA-C 108.543 -0.91 . . . . 0.0 108.543 179.737 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -108.16 144.86 35.01 Favored 'General case' 0 N--CA 1.497 1.922 0 O-C-N 121.477 -0.764 . . . . 0.0 110.02 -179.645 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 96.1 mm-40 -67.96 -28.91 67.86 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 121.397 -0.814 . . . . 0.0 110.091 -179.794 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 41.0 tt0 -60.01 -39.98 87.66 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.169 -0.957 . . . . 0.0 109.72 -179.194 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 53.7 t -59.95 -41.47 86.14 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.652 0 O-C-N 121.242 -0.911 . . . . 0.0 110.118 -179.085 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 53.1 t -60.91 -40.84 86.66 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.722 0 O-C-N 120.852 -1.155 . . . . 0.0 109.542 -179.754 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 79.2 m-20 -62.28 -41.6 98.62 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.318 -0.864 . . . . 0.0 110.27 -179.176 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 76.9 tttt -63.42 -40.08 96.23 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.417 -0.802 . . . . 0.0 110.47 -179.302 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 69.5 t -61.65 -40.76 87.82 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.606 0 O-C-N 121.201 -0.937 . . . . 0.0 110.245 -179.157 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' MET . . . . . 0.458 ' SD ' ' SG ' ' A' ' 68' ' ' CYS . 90.2 mmm -63.2 -40.09 96.49 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.278 -0.889 . . . . 0.0 110.897 -178.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 4.5 tm-20 -67.37 -39.96 85.72 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.102 -0.998 . . . . 0.0 110.437 -178.877 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 96.1 m -68.35 -39.95 81.68 Favored 'General case' 0 N--CA 1.495 1.81 0 O-C-N 121.172 -0.955 . . . . 0.0 110.956 -179.504 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 15.8 tp -67.53 -20.22 65.39 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.183 -0.948 . . . . 0.0 109.542 -178.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . 0.485 ' CG ' ' H ' ' A' ' 66' ' ' GLY . 36.7 t70 -73.99 81.58 1.7 Allowed 'General case' 0 N--CA 1.494 1.732 0 O-C-N 121.165 -0.959 . . . . 0.0 111.39 -178.801 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 85.5 mt-10 -87.69 -23.03 24.31 Favored 'General case' 0 N--CA 1.496 1.861 0 O-C-N 121.167 -0.958 . . . . 0.0 109.056 178.272 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . 0.457 ' OD1' ' N ' ' A' ' 63' ' ' ASP . 28.6 p-10 -82.32 -2.84 54.02 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.214 -0.929 . . . . 0.0 110.122 -179.323 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 69.65 31.13 70.51 Favored Glycine 0 N--CA 1.493 2.496 0 N-CA-C 110.196 -1.162 . . . . 0.0 110.196 179.071 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 9.7 t70 -94.44 -36.72 11.77 Favored 'General case' 0 N--CA 1.495 1.803 0 O-C-N 121.125 -1.22 . . . . 0.0 110.18 -179.506 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . 0.485 ' H ' ' CG ' ' A' ' 61' ' ' ASP . . . 90.27 -2.74 81.57 Favored Glycine 0 N--CA 1.499 2.888 0 O-C-N 120.972 -1.08 . . . . 0.0 110.916 179.298 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 61.9 mm-40 -134.1 157.72 45.45 Favored 'General case' 0 N--CA 1.5 2.066 0 O-C-N 121.086 -1.244 . . . . 0.0 108.413 179.489 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' CYS . . . . . 0.458 ' SG ' ' SD ' ' A' ' 57' ' ' MET . 55.8 m -92.06 107.38 19.17 Favored 'General case' 0 N--CA 1.496 1.833 0 O-C-N 120.911 -1.118 . . . . 0.0 109.821 -179.53 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 95.2 m-20 -89.32 168.34 12.33 Favored 'General case' 0 N--CA 1.495 1.823 0 O-C-N 121.036 -1.04 . . . . 0.0 109.382 179.657 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 70.3 t80 -59.96 -40.0 87.53 Favored 'General case' 0 C--N 1.301 -1.506 0 O-C-N 121.412 -0.805 . . . . 0.0 109.505 -179.793 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 51.9 tt0 -60.02 -49.69 76.69 Favored 'General case' 0 N--CA 1.494 1.751 0 O-C-N 121.247 -0.908 . . . . 0.0 110.87 -178.906 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -69.98 -26.81 64.26 Favored 'General case' 0 N--CA 1.498 1.946 0 O-C-N 120.811 -1.181 . . . . 0.0 109.026 -179.823 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 47.1 t80 -60.04 -46.9 88.01 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.376 -0.827 . . . . 0.0 109.703 -179.006 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 97.1 mmm -59.99 -39.19 84.9 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.177 -0.952 . . . . 0.0 108.918 179.759 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -59.66 -36.31 76.16 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.416 -0.802 . . . . 0.0 109.685 -179.686 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 84.0 t80 -60.07 -41.63 92.8 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 120.941 -1.1 . . . . 0.0 109.329 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 54.2 t -60.0 -40.98 84.66 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.545 0 O-C-N 121.055 -1.028 . . . . 0.0 108.693 179.29 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 37.5 t -63.63 -46.16 86.94 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.401 -0.812 . . . . 0.0 110.009 -179.902 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 95.7 mtp -60.23 -40.28 89.67 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.118 -0.989 . . . . 0.0 109.756 -179.504 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 54.7 t -69.25 -39.99 79.8 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.472 0 O-C-N 121.258 -0.901 . . . . 0.0 109.173 179.852 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 15.8 m -65.12 -43.94 90.35 Favored 'General case' 0 C--N 1.303 -1.44 0 O-C-N 121.312 -0.867 . . . . 0.0 109.587 -179.562 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 63.4 p -70.48 -39.98 73.9 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.199 -0.938 . . . . 0.0 109.992 -179.932 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -59.98 -47.66 84.9 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.134 -0.979 . . . . 0.0 109.501 -179.709 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 84' ' ' CYS . . . . . 0.444 ' SG ' ' O ' ' A' ' 84' ' ' CYS . 26.3 p -80.79 110.88 16.72 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.272 -0.893 . . . . 0.0 109.439 179.924 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 85' ' ' HIS . . . . . 0.441 ' ND1' ' N ' ' A' ' 85' ' ' HIS . 11.7 p-80 -121.52 28.43 7.72 Favored 'General case' 0 N--CA 1.498 1.928 0 O-C-N 121.645 -0.66 . . . . 0.0 109.364 -179.942 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . 0.572 ' O ' ' CD1' ' A' ' 87' ' ' PHE . 86.2 tt0 -70.01 -26.12 63.91 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.36 -0.838 . . . . 0.0 109.962 -179.8 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 87' ' ' PHE . . . . . 0.602 ' O ' ' CD2' ' A' ' 87' ' ' PHE . 28.2 p90 45.26 104.73 0.0 OUTLIER 'General case' 0 N--CA 1.499 2.007 0 CA-C-O 121.979 0.895 . . . . 0.0 110.286 -178.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 96.0 m-85 . . . . . 0 N--CA 1.491 1.622 0 O-C-N 120.785 -1.197 . . . . 0.0 108.725 179.908 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 1.5 t . . . . . 0 N--CA 1.489 1.488 0 N-CA-C 109.278 -0.638 . . . . 0.0 109.278 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 95.3 mt-10 -59.95 -31.36 69.8 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.332 -0.855 . . . . 0.0 109.086 179.622 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 67.4 tp -59.91 -48.68 80.71 Favored 'General case' 0 N--CA 1.488 1.445 0 O-C-N 121.386 -0.821 . . . . 0.0 109.108 -179.657 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 85.4 tt0 -60.05 -40.24 88.74 Favored 'General case' 0 C--N 1.302 -1.457 0 O-C-N 121.168 -0.958 . . . . 0.0 109.2 179.514 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 16.8 mtpp -67.28 -36.16 80.98 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.483 -0.76 . . . . 0.0 109.721 -179.936 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -60.0 -43.42 95.2 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.286 -0.884 . . . . 0.0 109.982 -178.813 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 7' ' ' MET . . . . . . . . . . . . . 57.8 mtt -59.97 -43.03 95.33 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 120.822 -1.174 . . . . 0.0 108.897 179.56 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 54.2 t -69.98 -40.05 78.16 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.46 0 O-C-N 121.306 -0.871 . . . . 0.0 109.06 179.457 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.06 -43.87 95.12 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.494 -0.754 . . . . 0.0 110.693 -179.212 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 1.5 mt -60.07 -49.72 76.56 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.0 -1.063 . . . . 0.0 109.505 -179.606 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 96.9 mt -60.45 -45.8 96.25 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.509 0 O-C-N 121.098 -1.001 . . . . 0.0 109.866 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 95.9 m-20 -61.33 -41.13 96.51 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.297 -0.877 . . . . 0.0 110.751 -178.568 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 54.1 t -70.04 -46.44 72.92 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.733 0 O-C-N 120.995 -1.065 . . . . 0.0 110.16 -179.209 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 14' ' ' PHE . . . . . . . . . . . . . 64.7 t80 -59.98 -41.07 91.21 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.256 -0.902 . . . . 0.0 110.165 -179.619 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 52.5 t-80 -60.75 -46.81 89.01 Favored 'General case' 0 C--N 1.301 -1.533 0 O-C-N 121.309 -0.869 . . . . 0.0 110.838 -179.227 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 74.3 mt-30 -60.32 -51.11 70.94 Favored 'General case' 0 N--CA 1.494 1.74 0 O-C-N 120.867 -1.146 . . . . 0.0 111.257 -178.724 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 65.0 m-85 -70.81 -37.57 73.26 Favored 'General case' 0 N--CA 1.494 1.743 0 O-C-N 120.942 -1.099 . . . . 0.0 110.432 -179.797 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 18' ' ' SER . . . . . 0.497 ' O ' ' O ' ' B' ' 23' ' ' ASP . 75.0 m -60.03 -41.43 92.22 Favored 'General case' 0 C--N 1.301 -1.508 0 O-C-N 121.153 -0.967 . . . . 0.0 110.082 -178.772 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -75.23 19.55 2.27 Favored Glycine 0 N--CA 1.494 2.526 0 O-C-N 120.997 -1.064 . . . . 0.0 110.647 -179.404 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 20' ' ' ARG . . . . . 0.444 ' NH1' ' OE1' ' B' ' 34' ' ' GLU . 66.7 ttt180 -59.96 -45.2 93.45 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.074 -1.25 . . . . 0.0 110.268 -179.723 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 21' ' ' GLU . . . . . 0.427 ' O ' ' C ' ' B' ' 22' ' ' GLY . 80.6 tt0 -164.58 114.44 1.17 Allowed 'General case' 0 N--CA 1.494 1.761 0 O-C-N 120.631 -1.293 . . . . 0.0 111.379 -179.628 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 22' ' ' GLY . . . . . 0.427 ' C ' ' O ' ' B' ' 21' ' ' GLU . . . 32.85 40.98 0.1 OUTLIER Glycine 0 N--CA 1.501 3.016 0 N-CA-C 111.886 -0.485 . . . . 0.0 111.886 178.247 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 23' ' ' ASP . . . . . 0.497 ' O ' ' O ' ' B' ' 18' ' ' SER . 35.4 m-20 -144.07 85.38 1.8 Allowed 'General case' 0 N--CA 1.499 1.993 0 O-C-N 120.892 -1.357 . . . . 0.0 109.265 179.875 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 4.2 mmmm -93.15 -41.58 9.85 Favored 'General case' 0 N--CA 1.495 1.801 0 O-C-N 120.864 -1.147 . . . . 0.0 110.462 -179.02 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 25' ' ' HIS . . . . . 0.424 ' CD2' ' H ' ' B' ' 25' ' ' HIS . 9.1 p80 -111.69 16.34 20.6 Favored 'General case' 0 N--CA 1.502 2.148 0 O-C-N 121.342 -0.849 . . . . 0.0 111.399 -178.062 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 61.1 mttm -139.98 144.89 37.23 Favored 'General case' 0 N--CA 1.498 1.951 0 O-C-N 121.164 -0.96 . . . . 0.0 109.038 178.521 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 2.0 tp -124.51 129.62 50.95 Favored 'General case' 0 N--CA 1.498 1.963 0 N-CA-C 108.216 -1.031 . . . . 0.0 108.216 179.898 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 43.8 pttt -110.4 -177.37 3.22 Favored 'General case' 0 N--CA 1.501 2.124 0 CA-C-O 121.97 0.891 . . . . 0.0 111.065 -178.747 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 37.3 mtmt -59.95 -40.07 87.73 Favored 'General case' 0 N--CA 1.496 1.873 0 N-CA-C 112.695 0.628 . . . . 0.0 112.695 -178.173 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 70.3 m -60.02 -41.53 92.4 Favored 'General case' 0 N--CA 1.496 1.83 0 O-C-N 120.662 -1.274 . . . . 0.0 110.558 -177.686 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 40.9 mt-10 -72.93 -39.99 65.81 Favored 'General case' 0 C--N 1.299 -1.611 0 O-C-N 121.094 -1.003 . . . . 0.0 110.68 179.925 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 54.2 tp -60.06 -40.74 90.5 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.264 -0.897 . . . . 0.0 109.211 -179.279 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 77.7 tttt -62.14 -40.96 97.7 Favored 'General case' 0 C--N 1.298 -1.654 0 O-C-N 121.569 -0.707 . . . . 0.0 110.844 -179.61 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 34' ' ' GLU . . . . . 0.444 ' OE1' ' NH1' ' B' ' 20' ' ' ARG . 80.9 tt0 -65.85 -40.01 91.3 Favored 'General case' 0 N--CA 1.496 1.863 0 O-C-N 121.089 -1.007 . . . . 0.0 111.285 -178.474 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 16.7 mt -66.73 -40.01 88.21 Favored 'General case' 0 N--CA 1.496 1.868 0 O-C-N 120.899 -1.126 . . . . 0.0 110.749 -179.126 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 91.7 mt -66.14 -39.94 85.73 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.679 0 O-C-N 120.885 -1.134 . . . . 0.0 110.757 -178.762 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 9.9 t-20 -79.07 -19.6 50.91 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.037 -1.039 . . . . 0.0 110.695 -179.284 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 48.3 t-20 -65.91 -60.01 3.28 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 120.983 -1.073 . . . . 0.0 111.56 -178.207 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 1.5 pm0 -149.26 22.65 0.94 Allowed 'General case' 0 N--CA 1.502 2.15 0 O-C-N 120.51 -1.369 . . . . 0.0 111.297 -179.416 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 5.1 mt -127.77 16.3 6.91 Favored 'General case' 0 N--CA 1.506 2.343 0 O-C-N 121.032 -1.042 . . . . 0.0 109.676 -179.929 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 80.5 p -70.03 -36.13 74.82 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 120.961 -1.087 . . . . 0.0 110.175 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 42' ' ' HIS . . . . . . . . . . . . . 16.8 m170 -61.27 -40.2 93.23 Favored 'General case' 0 N--CA 1.497 1.882 0 O-C-N 121.113 -0.992 . . . . 0.0 111.144 -178.899 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 42.1 m-85 -61.64 -47.18 86.54 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 120.832 -1.168 . . . . 0.0 110.416 -178.887 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 90.1 mt -93.66 -72.02 0.63 Allowed 'General case' 0 N--CA 1.495 1.819 0 O-C-N 121.005 -1.059 . . . . 0.0 109.803 -179.887 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 1.4 tm-20 63.93 3.83 1.78 Allowed 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.278 -0.889 . . . . 0.0 109.12 -179.653 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 2.6 tm-20 -94.38 -1.37 53.84 Favored 'General case' 0 N--CA 1.496 1.835 0 O-C-N 121.349 -0.845 . . . . 0.0 109.07 179.907 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 7.1 mm -79.49 129.6 37.32 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.572 0 O-C-N 121.14 -0.975 . . . . 0.0 109.686 -179.507 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 4.5 tmtm? -153.57 -39.41 0.1 Allowed 'General case' 0 N--CA 1.49 1.551 0 N-CA-C 108.64 -0.874 . . . . 0.0 108.64 179.686 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -108.28 144.91 35.13 Favored 'General case' 0 N--CA 1.499 1.987 0 O-C-N 121.499 -0.75 . . . . 0.0 109.961 -179.735 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 96.6 mm-40 -67.99 -28.93 67.85 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.438 -0.789 . . . . 0.0 109.92 -179.73 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 41.3 tt0 -59.97 -39.98 87.53 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.19 -0.944 . . . . 0.0 109.756 -179.202 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 54.3 t -59.89 -41.61 86.46 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.613 0 O-C-N 121.234 -0.916 . . . . 0.0 110.178 -179.072 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 53.8 t -60.8 -40.88 86.52 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.728 0 O-C-N 120.901 -1.124 . . . . 0.0 109.589 -179.686 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 80.0 m-20 -62.24 -41.33 98.33 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.248 -0.908 . . . . 0.0 110.3 -179.159 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 74.4 tttt -63.66 -40.07 95.91 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.398 -0.814 . . . . 0.0 110.311 -179.24 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 76.6 t -61.64 -41.06 88.88 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.524 0 O-C-N 121.216 -0.928 . . . . 0.0 110.212 -179.042 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 57' ' ' MET . . . . . 0.481 ' SD ' ' SG ' ' B' ' 68' ' ' CYS . 88.1 mmm -62.89 -40.01 96.22 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.277 -0.889 . . . . 0.0 110.972 -179.063 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 4.5 tm-20 -67.64 -39.99 84.62 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.146 -0.971 . . . . 0.0 110.413 -178.747 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 98.9 m -68.06 -40.01 82.86 Favored 'General case' 0 N--CA 1.495 1.811 0 O-C-N 121.137 -0.977 . . . . 0.0 110.943 -179.733 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 15.3 tp -67.89 -19.78 65.04 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.184 -0.948 . . . . 0.0 109.572 -178.838 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 61' ' ' ASP . . . . . 0.476 ' CG ' ' H ' ' B' ' 66' ' ' GLY . 36.4 t70 -74.29 81.61 1.86 Allowed 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.217 -0.927 . . . . 0.0 111.341 -178.853 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 86.8 mt-10 -87.81 -23.2 24.11 Favored 'General case' 0 N--CA 1.497 1.891 0 O-C-N 121.111 -0.993 . . . . 0.0 109.002 178.323 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 63' ' ' ASP . . . . . 0.438 ' N ' ' OD1' ' B' ' 63' ' ' ASP . 29.1 p-10 -82.08 -2.24 51.22 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.278 -0.889 . . . . 0.0 110.187 -179.526 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 68.68 31.83 73.77 Favored Glycine 0 N--CA 1.494 2.559 0 C-N-CA 119.943 -1.123 . . . . 0.0 110.32 179.205 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 9.6 t70 -94.78 -36.68 11.59 Favored 'General case' 0 N--CA 1.497 1.876 0 O-C-N 121.151 -1.205 . . . . 0.0 110.04 -179.583 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 66' ' ' GLY . . . . . 0.476 ' H ' ' CG ' ' B' ' 61' ' ' ASP . . . 90.24 -2.27 80.96 Favored Glycine 0 N--CA 1.499 2.882 0 O-C-N 120.989 -1.07 . . . . 0.0 110.81 179.244 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 60.8 mm-40 -134.58 157.64 46.06 Favored 'General case' 0 N--CA 1.501 2.075 0 O-C-N 121.235 -1.156 . . . . 0.0 108.317 179.438 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 68' ' ' CYS . . . . . 0.481 ' SG ' ' SD ' ' B' ' 57' ' ' MET . 59.3 m -92.19 107.9 19.55 Favored 'General case' 0 N--CA 1.495 1.801 0 O-C-N 120.889 -1.132 . . . . 0.0 109.705 -179.487 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 94.5 m-20 -89.67 168.32 12.21 Favored 'General case' 0 N--CA 1.494 1.772 0 O-C-N 121.025 -1.047 . . . . 0.0 109.241 179.695 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 69.1 t80 -60.0 -39.92 87.44 Favored 'General case' 0 C--N 1.3 -1.547 0 O-C-N 121.363 -0.836 . . . . 0.0 109.6 -179.912 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 51.5 tt0 -60.04 -49.66 76.78 Favored 'General case' 0 N--CA 1.494 1.754 0 O-C-N 121.271 -0.893 . . . . 0.0 110.807 -178.855 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -70.05 -26.88 64.23 Favored 'General case' 0 N--CA 1.499 1.987 0 O-C-N 120.833 -1.167 . . . . 0.0 108.87 -179.787 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 73' ' ' PHE . . . . . . . . . . . . . 47.8 t80 -59.98 -46.75 88.43 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.474 -0.766 . . . . 0.0 109.84 -178.871 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 74' ' ' MET . . . . . . . . . . . . . 96.8 mmm -60.01 -39.28 85.25 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.113 -0.992 . . . . 0.0 109.03 179.619 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -59.78 -36.1 76.01 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.321 -0.862 . . . . 0.0 109.672 -179.642 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 84.8 t80 -59.97 -41.78 92.71 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 120.932 -1.105 . . . . 0.0 109.217 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 77' ' ' VAL . . . . . . . . . . . . . 54.6 t -60.04 -40.97 84.7 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.418 0 O-C-N 121.036 -1.04 . . . . 0.0 108.674 179.225 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 78' ' ' SER . . . . . . . . . . . . . 36.9 t -63.61 -46.01 87.71 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.38 -0.825 . . . . 0.0 110.043 -179.853 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 79' ' ' MET . . . . . . . . . . . . . 95.9 mtp -60.29 -40.1 89.28 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.018 -1.051 . . . . 0.0 109.814 -179.585 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 54.5 t -69.46 -40.1 79.43 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.547 0 O-C-N 121.231 -0.918 . . . . 0.0 109.265 179.764 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 15.5 m -64.86 -44.12 90.77 Favored 'General case' 0 C--N 1.302 -1.475 0 O-C-N 121.341 -0.849 . . . . 0.0 109.608 -179.662 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 62.7 p -70.36 -39.98 74.29 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.076 -1.015 . . . . 0.0 110.051 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -60.04 -47.52 85.5 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.17 -0.956 . . . . 0.0 109.534 -179.701 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 84' ' ' CYS . . . . . 0.432 ' SG ' ' O ' ' B' ' 84' ' ' CYS . 26.4 p -80.78 110.87 16.7 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.293 -0.879 . . . . 0.0 109.457 179.835 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 85' ' ' HIS . . . . . 0.441 ' ND1' ' N ' ' B' ' 85' ' ' HIS . 11.7 p-80 -121.5 28.35 7.77 Favored 'General case' 0 N--CA 1.499 1.977 0 O-C-N 121.634 -0.666 . . . . 0.0 109.354 -179.865 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 86' ' ' GLU . . . . . 0.572 ' O ' ' CD1' ' B' ' 87' ' ' PHE . 86.4 tt0 -70.05 -26.24 63.93 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.418 -0.801 . . . . 0.0 109.949 -179.777 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 87' ' ' PHE . . . . . 0.589 ' O ' ' CD2' ' B' ' 87' ' ' PHE . 28.4 p90 45.36 104.59 0.0 OUTLIER 'General case' 0 N--CA 1.499 1.98 0 CA-C-O 122.014 0.912 . . . . 0.0 110.325 -178.95 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 96.0 m-85 . . . . . 0 N--CA 1.491 1.589 0 O-C-N 120.796 -1.19 . . . . 0.0 108.711 179.854 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 33.0 p . . . . . 0 N--CA 1.489 1.484 0 CA-C-O 121.349 0.595 . . . . 0.0 109.977 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 48.1 mt-10 -60.01 -27.8 67.19 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.273 -0.892 . . . . 0.0 110.628 -179.359 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . 0.509 ' O ' ' SD ' ' A' ' 7' ' ' MET . 1.1 mp -54.29 -50.84 66.36 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 120.779 -1.2 . . . . 0.0 108.957 -179.589 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . 0.406 ' OE2' HD23 ' B' ' 40' ' ' LEU . 61.6 mm-40 -60.32 -41.08 92.75 Favored 'General case' 0 N--CA 1.494 1.767 0 O-C-N 121.041 -1.037 . . . . 0.0 110.202 179.901 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 28.5 tptt -60.21 -40.03 88.68 Favored 'General case' 0 N--CA 1.488 1.463 0 O-C-N 121.231 -0.918 . . . . 0.0 109.39 -179.109 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -62.45 -50.1 72.8 Favored 'General case' 0 N--CA 1.495 1.79 0 O-C-N 121.293 -0.879 . . . . 0.0 110.869 -179.567 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' MET . . . . . 0.509 ' SD ' ' O ' ' A' ' 3' ' ' LEU . 3.6 mpp? -60.42 -40.24 90.34 Favored 'General case' 0 N--CA 1.495 1.806 0 O-C-N 120.74 -1.225 . . . . 0.0 109.828 -179.427 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 54.6 t -60.64 -40.14 83.72 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.487 0 O-C-N 121.223 -0.923 . . . . 0.0 109.739 -179.406 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . 0.484 ' O ' HG23 ' A' ' 13' ' ' VAL . . . -66.62 -40.16 88.66 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.139 -0.976 . . . . 0.0 110.304 -179.345 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 39.2 mt -65.22 -41.35 94.52 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.065 -1.022 . . . . 0.0 110.512 -179.445 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 96.9 mt -69.63 -47.27 72.22 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.661 0 O-C-N 121.004 -1.06 . . . . 0.0 110.222 -179.539 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 9.3 t0 -61.62 -40.24 94.15 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.177 -0.952 . . . . 0.0 110.612 -179.23 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.484 HG23 ' O ' ' A' ' 9' ' ' ALA . 78.1 t -66.9 -41.11 87.15 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.683 0 O-C-N 121.039 -1.038 . . . . 0.0 110.64 -178.893 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 60.0 t80 -59.87 -46.89 87.85 Favored 'General case' 0 N--CA 1.494 1.745 0 O-C-N 120.781 -1.199 . . . . 0.0 110.172 -179.001 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 85.3 t60 -59.97 -41.27 91.59 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.297 -0.877 . . . . 0.0 111.634 -179.127 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 96.0 mt-30 -61.25 -50.58 72.48 Favored 'General case' 0 N--CA 1.494 1.766 0 O-C-N 120.85 -1.156 . . . . 0.0 111.133 -177.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 55.9 m-85 -70.1 -38.92 75.76 Favored 'General case' 0 N--CA 1.495 1.792 0 O-C-N 121.036 -1.04 . . . . 0.0 110.539 -179.703 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 77.2 p -60.02 -42.09 93.58 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 120.929 -1.107 . . . . 0.0 109.527 -179.152 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -74.04 -41.55 39.69 Favored Glycine 0 N--CA 1.49 2.238 0 N-CA-C 109.969 -1.252 . . . . 0.0 109.969 -179.872 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 2.8 tpm_? -60.09 -43.89 95.19 Favored 'General case' 0 N--CA 1.494 1.751 0 O-C-N 121.154 -1.203 . . . . 0.0 109.953 -179.263 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.455 ' CD ' ' N ' ' A' ' 22' ' ' GLY . 14.9 tm-20 -168.74 147.36 4.11 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.023 -1.048 . . . . 0.0 109.786 -179.501 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . 0.455 ' N ' ' CD ' ' A' ' 21' ' ' GLU . . . 99.93 69.91 0.91 Allowed Glycine 0 N--CA 1.496 2.641 0 N-CA-C 109.434 -1.466 . . . . 0.0 109.434 179.739 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . 0.42 ' O ' ' O ' ' A' ' 22' ' ' GLY . 82.0 m-20 51.38 177.36 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.455 -1.026 . . . . 0.0 110.102 179.646 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 9.2 mtmp? -95.03 -32.25 13.22 Favored 'General case' 0 N--CA 1.495 1.788 0 O-C-N 121.304 -0.873 . . . . 0.0 110.503 -179.427 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' HIS . . . . . 0.466 ' N ' ' ND1' ' A' ' 25' ' ' HIS . 13.8 p-80 -134.37 20.97 3.68 Favored 'General case' 0 N--CA 1.499 1.984 0 O-C-N 121.225 -0.922 . . . . 0.0 110.703 -178.612 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 25.5 mtpp -134.26 151.49 51.31 Favored 'General case' 0 N--CA 1.501 2.108 0 O-C-N 121.194 -0.941 . . . . 0.0 109.063 179.794 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 11.8 tp -99.55 128.63 45.67 Favored 'General case' 0 N--CA 1.498 1.966 0 O-C-N 121.292 -0.88 . . . . 0.0 109.45 -179.287 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 30.1 mmtm -106.6 173.58 6.26 Favored 'General case' 0 N--CA 1.497 1.89 0 O-C-N 121.563 -0.71 . . . . 0.0 109.737 179.906 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 65.0 mttm -60.0 -38.88 83.9 Favored 'General case' 0 N--CA 1.494 1.737 0 O-C-N 121.652 -0.655 . . . . 0.0 110.435 -179.156 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 67.9 m -60.1 -39.97 88.03 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.319 -0.863 . . . . 0.0 110.359 -177.827 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 -67.7 -40.01 84.35 Favored 'General case' 0 N--CA 1.488 1.428 0 O-C-N 120.858 -1.151 . . . . 0.0 109.466 -179.88 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 41.6 tp -61.9 -48.98 78.05 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.269 -0.894 . . . . 0.0 109.37 179.626 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 14.3 ttmm -59.96 -44.52 94.38 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.415 -0.803 . . . . 0.0 109.99 -179.095 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . 0.463 ' O ' ' ND2' ' A' ' 38' ' ' ASN . 67.9 mm-40 -69.67 -39.74 76.84 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.152 -0.968 . . . . 0.0 109.643 179.925 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 64.3 tp -60.02 -47.45 85.8 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.099 -1.001 . . . . 0.0 109.573 -178.809 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 91.6 mt -63.54 -39.99 87.37 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.759 0 O-C-N 120.947 -1.096 . . . . 0.0 109.637 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . 0.439 ' O ' ' O ' ' A' ' 38' ' ' ASN . 14.7 t-20 -65.31 -32.64 74.4 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.365 -0.834 . . . . 0.0 110.578 -179.505 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . 0.463 ' ND2' ' O ' ' A' ' 34' ' ' GLU . 4.1 m120 -41.34 -95.89 0.0 OUTLIER 'General case' 0 N--CA 1.498 1.957 0 O-C-N 121.39 -0.819 . . . . 0.0 111.012 -178.565 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . 0.407 ' OE1' ' CG ' ' B' ' 4' ' ' GLU . 44.8 tt0 -110.27 -25.91 9.88 Favored 'General case' 0 N--CA 1.501 2.107 0 O-C-N 121.242 -0.911 . . . . 0.0 110.136 -179.24 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 82.6 mt -62.33 121.54 13.43 Favored 'General case' 0 C--N 1.302 -1.466 0 O-C-N 120.842 -1.161 . . . . 0.0 109.183 -178.897 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . 0.447 ' O ' ' O ' ' A' ' 44' ' ' LEU . 80.7 p -163.18 -44.87 0.03 OUTLIER 'General case' 0 N--CA 1.488 1.437 0 O-C-N 121.591 -0.693 . . . . 0.0 109.2 -179.85 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 55.7 t-80 -60.03 -45.48 92.68 Favored 'General case' 0 N--CA 1.488 1.436 0 O-C-N 121.002 -1.061 . . . . 0.0 109.289 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 42.9 m-85 -64.68 -43.64 92.91 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.403 -0.811 . . . . 0.0 109.966 -179.831 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.447 ' O ' ' O ' ' A' ' 41' ' ' SER . 28.2 mt -131.93 141.97 49.5 Favored 'General case' 0 N--CA 1.5 2.029 0 O-C-N 121.499 -0.751 . . . . 0.0 109.042 -179.819 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -59.95 161.08 6.99 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.181 -0.95 . . . . 0.0 109.06 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -63.28 167.47 5.2 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.178 -0.951 . . . . 0.0 109.297 -179.901 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 44.1 mm -77.78 112.04 15.29 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.499 0 O-C-N 121.179 -0.951 . . . . 0.0 110.177 -178.64 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 21.3 ttpp -91.2 -76.25 0.45 Allowed 'General case' 0 N--CA 1.492 1.67 0 N-CA-C 108.921 -0.77 . . . . 0.0 108.921 179.488 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 42.5 mt-10 -101.53 148.53 25.09 Favored 'General case' 0 N--CA 1.499 2.001 0 O-C-N 121.299 -0.876 . . . . 0.0 109.667 179.691 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 37.4 tt0 -60.18 -27.85 67.47 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.356 -0.84 . . . . 0.0 109.305 179.79 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 66.0 mm-40 -54.53 -40.07 68.26 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.393 -0.817 . . . . 0.0 109.462 -179.137 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 53.0 t -59.99 -45.56 95.21 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.408 0 O-C-N 121.156 -0.965 . . . . 0.0 108.906 -179.928 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 76.3 t -61.65 -45.13 99.31 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.548 0 O-C-N 121.446 -0.784 . . . . 0.0 109.366 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 96.2 m-20 -60.61 -40.04 90.42 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.1 -1.0 . . . . 0.0 110.002 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 35.7 ttpt -65.57 -40.04 92.33 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.161 -0.962 . . . . 0.0 109.907 -179.566 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 62.0 t -67.39 -48.37 77.78 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.634 0 O-C-N 121.233 -0.917 . . . . 0.0 109.822 -179.3 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 99.7 mtp -68.68 -39.97 80.31 Favored 'General case' 0 N--CA 1.494 1.741 0 O-C-N 121.267 -0.896 . . . . 0.0 110.361 -179.135 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 54.5 tp10 -64.58 -39.95 94.66 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.345 -0.847 . . . . 0.0 110.89 -178.814 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 92.5 m -68.51 -49.98 55.6 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 120.984 -1.073 . . . . 0.0 111.08 -178.418 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 27.4 tp -78.86 -59.17 2.89 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.121 -0.987 . . . . 0.0 110.839 -178.325 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . 0.437 ' OD1' ' N ' ' A' ' 64' ' ' GLY . 16.0 t0 -81.47 89.66 6.17 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 121.217 -0.927 . . . . 0.0 110.677 -177.451 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 43.0 tt0 -69.75 -40.05 76.38 Favored 'General case' 0 C--N 1.302 -1.459 0 O-C-N 121.346 -0.847 . . . . 0.0 109.02 179.091 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 28.2 p-10 -98.39 16.46 21.58 Favored 'General case' 0 N--CA 1.494 1.764 0 O-C-N 121.337 -0.852 . . . . 0.0 109.96 -179.273 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . 0.446 ' O ' ' OD1' ' A' ' 65' ' ' ASP . . . -48.08 -27.94 5.55 Favored Glycine 0 N--CA 1.493 2.464 0 N-CA-C 110.01 -1.236 . . . . 0.0 110.01 -179.265 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . 0.446 ' OD1' ' O ' ' A' ' 64' ' ' GLY . 2.3 p-10 45.5 26.92 0.34 Allowed 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.352 -1.087 . . . . 0.0 109.971 179.773 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 83.05 -1.31 88.91 Favored Glycine 0 N--CA 1.492 2.425 0 N-CA-C 110.227 -1.149 . . . . 0.0 110.227 179.429 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . 0.406 ' OE2' ' C ' ' A' ' 68' ' ' CYS . 4.0 tm-20 -140.06 137.37 34.5 Favored 'General case' 0 N--CA 1.497 1.909 0 O-C-N 121.15 -1.206 . . . . 0.0 109.194 179.842 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' CYS . . . . . 0.406 ' C ' ' OE2' ' A' ' 67' ' ' GLU . 8.6 m -109.93 133.99 52.57 Favored 'General case' 0 N--CA 1.499 2.011 0 O-C-N 121.504 -0.748 . . . . 0.0 109.984 -179.123 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 84.4 m-20 -89.37 170.55 10.46 Favored 'General case' 0 N--CA 1.495 1.776 0 O-C-N 121.412 -0.805 . . . . 0.0 110.155 -179.864 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 9.1 t80 -57.81 -45.33 86.25 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.455 -0.778 . . . . 0.0 109.048 -179.417 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 30.4 tt0 -60.53 -41.07 93.67 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 121.127 -0.983 . . . . 0.0 108.911 179.467 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . 0.401 ' OE1' ' OD1' ' A' ' 61' ' ' ASP . 43.8 mt-10 -64.41 -40.05 95.03 Favored 'General case' 0 N--CA 1.49 1.546 0 N-CA-C 108.768 -0.827 . . . . 0.0 108.768 179.632 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 36.1 t80 -60.32 -40.02 89.11 Favored 'General case' 0 N--CA 1.488 1.473 0 N-CA-C 109.079 -0.712 . . . . 0.0 109.079 179.033 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 10.7 tpt -60.03 -39.92 87.54 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 121.268 -0.895 . . . . 0.0 109.283 -179.399 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -60.08 -38.18 82.12 Favored 'General case' 0 N--CA 1.495 1.804 0 O-C-N 121.353 -0.842 . . . . 0.0 110.38 179.853 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 63.6 t80 -60.03 -39.1 84.7 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.168 -0.958 . . . . 0.0 109.221 -178.943 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 54.4 t -60.03 -40.04 82.05 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.527 0 O-C-N 121.304 -0.873 . . . . 0.0 109.227 -179.866 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 86.3 p -59.93 -39.93 87.19 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.083 -1.011 . . . . 0.0 110.507 -179.081 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 48.6 ttm -60.06 -42.14 93.85 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 120.897 -1.127 . . . . 0.0 109.735 -179.912 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 54.4 t -60.6 -42.37 91.41 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.494 0 O-C-N 121.221 -0.924 . . . . 0.0 109.695 -179.489 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 94.6 m -62.97 -49.14 75.88 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.149 -0.969 . . . . 0.0 109.899 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 75.3 p -72.55 -39.38 67.51 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.167 -0.958 . . . . 0.0 109.882 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . 0.584 ' O ' ' N ' ' A' ' 85' ' ' HIS . . . -53.21 -19.94 3.55 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.318 -0.864 . . . . 0.0 110.211 -179.151 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 51.7 t -51.09 85.76 0.0 OUTLIER 'General case' 0 N--CA 1.494 1.752 0 O-C-N 121.34 -0.85 . . . . 0.0 109.722 -179.611 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 85' ' ' HIS . . . . . 0.584 ' N ' ' O ' ' A' ' 83' ' ' ALA . 85.5 t60 -69.01 -40.37 78.72 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.446 -0.784 . . . . 0.0 110.044 -179.559 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -89.75 125.73 35.4 Favored 'General case' 0 N--CA 1.496 1.829 0 O-C-N 121.332 -0.855 . . . . 0.0 110.367 -179.159 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -94.86 154.63 17.15 Favored 'General case' 0 N--CA 1.497 1.892 0 O-C-N 121.238 -0.914 . . . . 0.0 109.166 179.306 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 83.9 m-85 . . . . . 0 N--CA 1.489 1.48 0 O-C-N 121.476 -0.765 . . . . 0.0 109.014 -179.85 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 33.3 p . . . . . 0 N--CA 1.491 1.576 0 CA-C-O 121.366 0.603 . . . . 0.0 109.917 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 48.8 mt-10 -60.02 -28.37 67.67 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.288 -0.882 . . . . 0.0 110.635 -179.558 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 3' ' ' LEU . . . . . 0.502 ' O ' ' SD ' ' B' ' 7' ' ' MET . 1.4 mp -54.21 -50.6 66.73 Favored 'General case' 0 N--CA 1.494 1.752 0 O-C-N 120.648 -1.283 . . . . 0.0 108.924 -179.659 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 4' ' ' GLU . . . . . 0.407 ' CG ' ' OE1' ' A' ' 39' ' ' GLU . 61.8 mm-40 -60.03 -41.2 91.72 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 120.989 -1.069 . . . . 0.0 110.217 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 28.2 tptt -60.34 -39.95 88.93 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.241 -0.912 . . . . 0.0 109.406 -179.115 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -62.48 -50.13 72.63 Favored 'General case' 0 N--CA 1.494 1.736 0 O-C-N 121.396 -0.815 . . . . 0.0 110.794 -179.349 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 7' ' ' MET . . . . . 0.502 ' SD ' ' O ' ' B' ' 3' ' ' LEU . 3.5 mpp? -60.27 -40.29 89.86 Favored 'General case' 0 N--CA 1.496 1.844 0 O-C-N 120.858 -1.151 . . . . 0.0 109.821 -179.515 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 58.0 t -61.0 -40.05 84.27 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.464 0 O-C-N 121.224 -0.922 . . . . 0.0 109.8 -179.398 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 9' ' ' ALA . . . . . 0.429 ' O ' HG23 ' B' ' 13' ' ' VAL . . . -66.36 -40.91 90.07 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.193 -0.942 . . . . 0.0 110.292 -179.564 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 49.0 mt -64.27 -42.05 96.62 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 121.113 -0.992 . . . . 0.0 110.498 -179.407 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 96.8 mt -69.34 -47.45 73.17 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.676 0 O-C-N 121.019 -1.05 . . . . 0.0 110.319 -179.367 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 9.3 t0 -61.53 -40.07 93.31 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.131 -0.98 . . . . 0.0 110.596 -179.214 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 13' ' ' VAL . . . . . 0.429 HG23 ' O ' ' B' ' 9' ' ' ALA . 53.9 t -67.04 -40.91 86.52 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.678 0 O-C-N 121.028 -1.045 . . . . 0.0 110.572 -178.906 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 14' ' ' PHE . . . . . . . . . . . . . 58.7 t80 -60.08 -46.76 88.5 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 120.746 -1.221 . . . . 0.0 110.14 -178.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 86.1 t60 -59.96 -41.54 92.17 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.348 -0.845 . . . . 0.0 111.718 -179.074 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 97.6 mt-30 -61.09 -50.5 73.03 Favored 'General case' 0 N--CA 1.495 1.79 0 O-C-N 120.775 -1.203 . . . . 0.0 111.148 -178.155 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 53.5 m-85 -70.09 -39.16 75.74 Favored 'General case' 0 N--CA 1.495 1.778 0 O-C-N 120.984 -1.072 . . . . 0.0 110.571 -179.609 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 60.2 p -60.04 -41.17 91.71 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.032 -1.043 . . . . 0.0 109.722 -179.143 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -75.4 -40.87 31.99 Favored Glycine 0 N--CA 1.488 2.133 0 N-CA-C 109.994 -1.242 . . . . 0.0 109.994 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 2.7 tpm_? -59.97 -43.64 94.95 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.109 -1.23 . . . . 0.0 109.798 -179.493 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 21' ' ' GLU . . . . . 0.457 ' CD ' ' N ' ' B' ' 22' ' ' GLY . 15.2 tm-20 -169.19 147.69 3.83 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.072 -1.017 . . . . 0.0 109.774 -179.689 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 22' ' ' GLY . . . . . 0.457 ' N ' ' CD ' ' B' ' 21' ' ' GLU . . . 99.88 69.79 0.91 Allowed Glycine 0 N--CA 1.494 2.554 0 N-CA-C 109.497 -1.441 . . . . 0.0 109.497 179.778 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 23' ' ' ASP . . . . . 0.488 ' OD2' ' NZ ' ' B' ' 28' ' ' LYS . 81.3 m-20 51.15 177.95 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.39 -1.065 . . . . 0.0 109.915 179.864 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 9.2 mtmp? -95.75 -31.62 13.12 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 121.449 -0.782 . . . . 0.0 110.484 -179.309 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 25' ' ' HIS . . . . . 0.479 ' ND1' ' N ' ' B' ' 25' ' ' HIS . 12.4 p-80 -134.59 20.75 3.6 Favored 'General case' 0 N--CA 1.499 1.983 0 O-C-N 121.282 -0.886 . . . . 0.0 110.662 -178.739 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 25.1 mtpp -134.16 151.83 51.54 Favored 'General case' 0 N--CA 1.5 2.073 0 O-C-N 121.197 -0.939 . . . . 0.0 108.919 179.871 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 11.9 tp -99.84 128.34 45.94 Favored 'General case' 0 N--CA 1.498 1.953 0 O-C-N 121.154 -0.966 . . . . 0.0 109.373 -179.186 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 28' ' ' LYS . . . . . 0.488 ' NZ ' ' OD2' ' B' ' 23' ' ' ASP . 30.3 mmtm -106.24 173.91 6.11 Favored 'General case' 0 N--CA 1.498 1.954 0 O-C-N 121.427 -0.795 . . . . 0.0 109.635 179.897 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 65.7 mttm -60.05 -39.08 84.73 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.508 -0.745 . . . . 0.0 110.45 -179.193 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 55.3 m -60.04 -39.96 87.71 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.27 -0.894 . . . . 0.0 110.394 -177.812 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -67.33 -40.69 85.94 Favored 'General case' 0 C--N 1.302 -1.475 0 O-C-N 120.817 -1.177 . . . . 0.0 109.563 179.852 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 35.8 tp -61.26 -49.34 77.48 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.265 -0.897 . . . . 0.0 109.28 179.836 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 13.8 ttmm -59.96 -43.85 94.79 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.358 -0.839 . . . . 0.0 110.087 -178.953 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 34' ' ' GLU . . . . . 0.467 ' O ' ' ND2' ' B' ' 38' ' ' ASN . 68.1 mm-40 -70.01 -39.85 75.58 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.222 -0.923 . . . . 0.0 109.674 179.767 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 61.7 tp -60.02 -46.55 89.14 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.254 -0.904 . . . . 0.0 109.925 -179.12 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 96.2 mt -64.4 -40.01 87.58 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.624 0 O-C-N 121.024 -1.047 . . . . 0.0 109.548 179.892 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 37' ' ' ASN . . . . . 0.428 ' O ' ' O ' ' B' ' 38' ' ' ASN . 14.9 t-20 -65.27 -32.32 73.92 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.311 -0.868 . . . . 0.0 110.598 -179.586 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 38' ' ' ASN . . . . . 0.467 ' ND2' ' O ' ' B' ' 34' ' ' GLU . 4.1 m120 -41.6 -95.28 0.0 OUTLIER 'General case' 0 N--CA 1.497 1.877 0 O-C-N 121.255 -0.903 . . . . 0.0 111.078 -178.589 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 45.6 tt0 -111.06 -26.43 9.24 Favored 'General case' 0 N--CA 1.502 2.146 0 O-C-N 121.193 -0.942 . . . . 0.0 109.994 -179.375 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 40' ' ' LEU . . . . . 0.406 HD23 ' OE2' ' A' ' 4' ' ' GLU . 77.4 mt -61.31 121.98 13.96 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 120.889 -1.132 . . . . 0.0 108.859 -179.201 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 41' ' ' SER . . . . . 0.464 ' O ' ' O ' ' B' ' 44' ' ' LEU . 53.1 p -164.56 -44.87 0.03 OUTLIER 'General case' 0 C--N 1.304 -1.408 0 O-C-N 121.526 -0.733 . . . . 0.0 109.226 -179.567 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 42' ' ' HIS . . . . . . . . . . . . . 55.0 t-80 -60.1 -45.45 92.9 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 120.925 -1.11 . . . . 0.0 109.193 179.778 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 44.0 m-85 -64.68 -43.41 93.63 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.326 -0.859 . . . . 0.0 109.993 -179.862 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 44' ' ' LEU . . . . . 0.464 ' O ' ' O ' ' B' ' 41' ' ' SER . 33.5 mt -131.99 141.69 49.36 Favored 'General case' 0 N--CA 1.499 1.984 0 O-C-N 121.442 -0.786 . . . . 0.0 109.215 -179.656 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -60.01 160.59 7.75 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.241 -0.912 . . . . 0.0 109.027 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -63.03 167.49 4.8 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.178 -0.952 . . . . 0.0 109.283 -179.885 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 42.3 mm -77.85 112.21 15.56 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.573 0 O-C-N 121.27 -0.894 . . . . 0.0 110.161 -178.502 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 21.2 ttpp -91.36 -76.16 0.45 Allowed 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.465 -0.772 . . . . 0.0 108.966 179.515 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -101.62 148.64 24.99 Favored 'General case' 0 N--CA 1.5 2.056 0 O-C-N 121.288 -0.883 . . . . 0.0 109.795 179.573 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 37.6 tt0 -60.02 -28.19 67.54 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.27 -0.894 . . . . 0.0 109.363 179.787 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 66.1 mm-40 -54.35 -40.0 67.66 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.265 -0.897 . . . . 0.0 109.425 -179.112 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 54.0 t -59.98 -45.78 94.91 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.469 0 O-C-N 121.142 -0.974 . . . . 0.0 108.887 -179.855 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 76.5 t -61.66 -44.78 99.24 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.422 0 O-C-N 121.413 -0.804 . . . . 0.0 109.481 -179.898 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 96.1 m-20 -61.16 -40.15 92.81 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.164 -0.96 . . . . 0.0 110.045 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 35.5 ttpt -65.37 -40.08 93.09 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.139 -0.976 . . . . 0.0 109.851 -179.62 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 70.1 t -67.36 -47.48 80.91 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.59 0 O-C-N 121.213 -0.93 . . . . 0.0 110.069 -179.338 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 57' ' ' MET . . . . . . . . . . . . . 99.3 mtp -69.66 -40.0 76.73 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.249 -0.907 . . . . 0.0 110.171 -179.208 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 54.2 tp10 -64.47 -40.12 95.09 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.3 -0.875 . . . . 0.0 110.878 -178.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 94.3 m -67.81 -50.06 58.86 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.037 -1.039 . . . . 0.0 111.235 -178.472 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 16.4 tp -80.03 -58.84 2.96 Favored 'General case' 0 C--N 1.299 -1.607 0 O-C-N 121.211 -0.931 . . . . 0.0 110.978 -178.176 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 61' ' ' ASP . . . . . 0.432 ' OD1' ' N ' ' B' ' 64' ' ' GLY . 17.7 t0 -81.37 89.21 6.09 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.183 -0.948 . . . . 0.0 110.669 -177.727 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 43.9 tt0 -69.68 -39.99 76.65 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.369 -0.832 . . . . 0.0 109.057 179.197 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 28.3 p-10 -97.92 16.65 20.27 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 121.44 -0.788 . . . . 0.0 109.88 -179.505 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 64' ' ' GLY . . . . . 0.445 ' O ' ' OD1' ' B' ' 65' ' ' ASP . . . -48.34 -28.16 6.16 Favored Glycine 0 N--CA 1.492 2.376 0 N-CA-C 110.173 -1.171 . . . . 0.0 110.173 -179.124 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 65' ' ' ASP . . . . . 0.445 ' OD1' ' O ' ' B' ' 64' ' ' GLY . 2.2 p-10 45.66 26.95 0.38 Allowed 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.347 -1.09 . . . . 0.0 110.005 179.808 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 82.48 -0.35 89.23 Favored Glycine 0 N--CA 1.494 2.548 0 N-CA-C 110.131 -1.188 . . . . 0.0 110.131 179.441 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 67' ' ' GLU . . . . . 0.404 ' OE2' ' C ' ' B' ' 68' ' ' CYS . 4.0 tm-20 -140.41 136.97 33.62 Favored 'General case' 0 N--CA 1.498 1.94 0 O-C-N 121.198 -1.178 . . . . 0.0 109.236 179.893 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 68' ' ' CYS . . . . . 0.404 ' C ' ' OE2' ' B' ' 67' ' ' GLU . 11.2 m -109.61 134.01 52.44 Favored 'General case' 0 N--CA 1.501 2.09 0 O-C-N 121.566 -0.709 . . . . 0.0 110.051 -179.286 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 84.5 m-20 -89.69 170.43 10.45 Favored 'General case' 0 N--CA 1.496 1.838 0 O-C-N 121.351 -0.843 . . . . 0.0 110.064 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 8.8 t80 -57.66 -45.3 85.7 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.382 -0.824 . . . . 0.0 109.089 -179.446 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 30.6 tt0 -60.93 -40.65 94.03 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.135 -0.978 . . . . 0.0 108.983 179.583 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 72' ' ' GLU . . . . . 0.416 ' OE1' ' OD2' ' B' ' 61' ' ' ASP . 43.7 mt-10 -64.72 -39.97 94.55 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.307 -0.87 . . . . 0.0 108.774 179.674 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 73' ' ' PHE . . . . . . . . . . . . . 33.1 t80 -60.26 -39.89 88.38 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.605 -0.684 . . . . 0.0 109.199 178.913 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 74' ' ' MET . . . . . . . . . . . . . 10.5 tpt -60.07 -39.96 87.86 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.44 -0.787 . . . . 0.0 109.215 -179.477 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -60.06 -38.1 81.83 Favored 'General case' 0 N--CA 1.495 1.811 0 O-C-N 121.323 -0.861 . . . . 0.0 110.426 179.75 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 64.3 t80 -60.08 -39.14 85.06 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.173 -0.955 . . . . 0.0 109.108 -179.006 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 77' ' ' VAL . . . . . . . . . . . . . 54.5 t -60.05 -39.95 81.81 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.528 0 O-C-N 121.218 -0.926 . . . . 0.0 109.343 -179.891 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 78' ' ' SER . . . . . . . . . . . . . 85.9 p -59.97 -40.04 87.74 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.178 -0.951 . . . . 0.0 110.495 -179.252 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 79' ' ' MET . . . . . . . . . . . . . 48.1 ttm -59.96 -42.56 94.34 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 120.886 -1.134 . . . . 0.0 109.708 -179.849 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 54.5 t -60.01 -42.43 89.6 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.54 0 O-C-N 121.273 -0.892 . . . . 0.0 109.787 -179.529 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 94.5 m -62.86 -49.22 75.74 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.042 -1.036 . . . . 0.0 109.997 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 79.9 p -72.73 -39.47 66.87 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.2 -0.938 . . . . 0.0 109.844 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 83' ' ' ALA . . . . . 0.575 ' O ' ' N ' ' B' ' 85' ' ' HIS . . . -53.11 -20.02 3.38 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.366 -0.833 . . . . 0.0 110.196 -179.318 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 84' ' ' CYS . . . . . . . . . . . . . 49.0 t -51.02 85.84 0.0 OUTLIER 'General case' 0 N--CA 1.495 1.823 0 O-C-N 121.247 -0.908 . . . . 0.0 109.705 -179.562 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 85' ' ' HIS . . . . . 0.575 ' N ' ' O ' ' B' ' 83' ' ' ALA . 85.3 t60 -69.07 -40.46 78.46 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.364 -0.835 . . . . 0.0 110.079 -179.529 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -89.61 126.21 35.53 Favored 'General case' 0 N--CA 1.496 1.827 0 O-C-N 121.331 -0.855 . . . . 0.0 110.256 -179.118 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 87' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -95.09 154.48 17.16 Favored 'General case' 0 N--CA 1.496 1.849 0 O-C-N 121.331 -0.855 . . . . 0.0 109.271 179.183 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 86.0 m-85 . . . . . 0 N--CA 1.489 1.503 0 O-C-N 121.421 -0.799 . . . . 0.0 109.169 -179.951 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 80.6 p . . . . . 0 N--CA 1.49 1.535 0 CA-C-O 121.525 0.679 . . . . 0.0 110.016 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 95.8 mt-10 -60.09 -39.44 86.14 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.509 -0.745 . . . . 0.0 109.55 179.538 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . 0.551 HD13 ' O ' ' A' ' 3' ' ' LEU . 0.3 OUTLIER -60.1 -42.73 95.28 Favored 'General case' 0 C--N 1.301 -1.521 0 O-C-N 121.205 -0.935 . . . . 0.0 108.701 -179.352 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 78.9 mm-40 -60.26 -43.46 96.12 Favored 'General case' 0 C--N 1.304 -1.411 0 O-C-N 121.193 -0.942 . . . . 0.0 109.297 179.852 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 36.4 ttmt -63.35 -40.16 96.52 Favored 'General case' 0 N--CA 1.487 1.417 0 O-C-N 121.378 -0.826 . . . . 0.0 109.428 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -60.08 -48.05 83.33 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.35 -0.844 . . . . 0.0 110.05 -179.439 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 8.7 ttp -60.2 -40.26 89.43 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 120.94 -1.1 . . . . 0.0 109.656 -179.934 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 53.6 t -65.53 -39.12 84.12 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.577 0 O-C-N 121.396 -0.815 . . . . 0.0 109.407 179.67 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.9 -40.21 87.98 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.281 -0.887 . . . . 0.0 110.414 -178.758 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 2.2 mm? -59.93 -43.52 94.88 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 120.498 -1.376 . . . . 0.0 109.186 179.884 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 94.6 mt -71.23 -47.17 61.87 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.64 0 O-C-N 120.922 -1.111 . . . . 0.0 110.532 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 45.7 t0 -68.99 -45.28 70.99 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.083 -1.011 . . . . 0.0 111.073 -178.895 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 53.6 t -60.97 -40.9 87.03 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.868 0 O-C-N 120.8 -1.188 . . . . 0.0 110.213 -179.093 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 55.2 t80 -59.87 -44.22 94.28 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.085 -1.009 . . . . 0.0 110.255 -178.802 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 56.9 t-80 -67.14 -39.61 86.59 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.335 -0.853 . . . . 0.0 111.333 -178.949 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 15.5 mm100 -59.91 -48.41 81.79 Favored 'General case' 0 N--CA 1.496 1.843 0 O-C-N 121.035 -1.041 . . . . 0.0 111.325 -178.151 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 50.4 m-85 -69.67 -40.07 76.62 Favored 'General case' 0 N--CA 1.496 1.836 0 O-C-N 120.624 -1.297 . . . . 0.0 110.601 -179.433 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 39.1 t -60.84 -43.0 98.86 Favored 'General case' 0 N--CA 1.494 1.762 0 O-C-N 120.904 -1.123 . . . . 0.0 111.174 -179.03 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -82.41 -2.85 90.68 Favored Glycine 0 N--CA 1.494 2.55 0 O-C-N 121.064 -1.022 . . . . 0.0 111.551 -178.515 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 2.3 ppt_? -60.1 -40.89 91.22 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 120.447 -1.62 . . . . 0.0 111.002 -178.036 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 88.9 tt0 -78.28 -40.28 37.45 Favored 'General case' 0 N--CA 1.496 1.852 0 O-C-N 120.464 -1.398 . . . . 0.0 109.819 179.786 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 151.28 -28.34 0.98 Allowed Glycine 0 N--CA 1.492 2.393 0 N-CA-C 109.304 -1.518 . . . . 0.0 109.304 -179.762 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 93.9 m-20 -96.45 110.96 23.23 Favored 'General case' 0 N--CA 1.497 1.895 0 O-C-N 121.354 -1.086 . . . . 0.0 108.854 179.678 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . 0.439 ' H ' ' HG2' ' A' ' 24' ' ' LYS . 16.5 pttm -100.06 98.84 9.53 Favored 'General case' 0 N--CA 1.499 1.983 0 O-C-N 121.324 -0.86 . . . . 0.0 110.056 -179.792 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 21.3 t-160 -177.78 -47.19 0.01 OUTLIER 'General case' 0 N--CA 1.495 1.8 0 O-C-N 121.294 -0.879 . . . . 0.0 110.196 179.484 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 48.6 pttt -146.27 161.78 39.53 Favored 'General case' 0 N--CA 1.496 1.849 0 O-C-N 121.193 -0.942 . . . . 0.0 110.076 -178.292 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.404 ' N ' HD12 ' A' ' 27' ' ' LEU . 5.4 mp -105.84 141.99 36.31 Favored 'General case' 0 N--CA 1.497 1.888 0 O-C-N 121.35 -0.844 . . . . 0.0 109.224 -179.523 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -91.28 177.42 6.25 Favored 'General case' 0 N--CA 1.497 1.908 0 O-C-N 121.186 -0.947 . . . . 0.0 108.964 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.432 ' HZ3' ' HB2' ' A' ' 29' ' ' LYS . 5.9 mtmp? -60.06 -45.99 91.02 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.136 -0.978 . . . . 0.0 110.546 -178.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 34.5 t -64.03 -44.51 92.34 Favored 'General case' 0 N--CA 1.494 1.755 0 O-C-N 120.983 -1.073 . . . . 0.0 110.04 -179.088 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 84.2 tt0 -70.04 -30.84 68.21 Favored 'General case' 0 C--N 1.298 -1.631 0 O-C-N 121.352 -0.842 . . . . 0.0 110.094 -179.697 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 59.5 tp -59.82 -50.0 75.52 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.371 -0.83 . . . . 0.0 110.576 -178.212 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.412 ' H ' ' HG2' ' A' ' 33' ' ' LYS . 0.0 OUTLIER -61.63 -37.32 83.57 Favored 'General case' 0 C--N 1.297 -1.685 0 O-C-N 121.023 -1.048 . . . . 0.0 109.681 -179.921 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . 0.468 ' O ' ' OD1' ' A' ' 38' ' ' ASN . 87.6 tt0 -60.22 -44.86 94.82 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 120.89 -1.131 . . . . 0.0 109.957 -179.451 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 18.0 tp -60.19 -40.41 89.95 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.44 -0.787 . . . . 0.0 109.284 -179.641 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 97.1 mt -69.94 -36.89 71.09 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.642 0 O-C-N 121.536 -0.728 . . . . 0.0 110.374 -179.785 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 52.7 t30 -59.44 -46.09 89.73 Favored 'General case' 0 N--CA 1.497 1.913 0 O-C-N 121.16 -0.962 . . . . 0.0 111.159 -177.806 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . 0.553 HD22 ' CD ' ' A' ' 39' ' ' GLU . 0.3 OUTLIER -79.68 -19.96 47.72 Favored 'General case' 0 N--CA 1.496 1.841 0 O-C-N 120.708 -1.245 . . . . 0.0 109.539 -179.962 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . 0.553 ' CD ' HD22 ' A' ' 38' ' ' ASN . 0.2 OUTLIER -86.92 -75.39 0.4 Allowed 'General case' 0 N--CA 1.496 1.841 0 O-C-N 121.112 -0.992 . . . . 0.0 109.221 179.796 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 5.5 mp -91.79 104.23 16.7 Favored 'General case' 0 N--CA 1.497 1.884 0 O-C-N 121.032 -1.042 . . . . 0.0 109.345 -179.713 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 94.4 p -101.93 -43.21 5.86 Favored 'General case' 0 N--CA 1.495 1.793 0 O-C-N 121.541 -0.724 . . . . 0.0 110.31 -179.836 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 73.0 t60 -124.48 -12.53 7.24 Favored 'General case' 0 N--CA 1.506 2.355 0 O-C-N 121.104 -0.998 . . . . 0.0 110.55 -179.474 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 41.4 t80 -66.9 -42.96 84.59 Favored 'General case' 0 N--CA 1.492 1.675 0 O-C-N 120.708 -1.245 . . . . 0.0 109.162 -179.874 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 10.4 tp -103.18 132.89 49.09 Favored 'General case' 0 N--CA 1.496 1.866 0 O-C-N 121.516 -0.74 . . . . 0.0 109.268 -179.668 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 86.8 tt0 -100.01 -10.12 21.95 Favored 'General case' 0 N--CA 1.495 1.792 0 O-C-N 121.266 -0.896 . . . . 0.0 109.885 -179.761 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 5.1 tp10 -78.35 -164.46 0.56 Allowed 'General case' 0 N--CA 1.495 1.788 0 O-C-N 120.791 -1.193 . . . . 0.0 110.803 -178.736 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.411 HG23 ' CG2' ' A' ' 53' ' ' VAL . 90.3 mt 56.57 72.6 0.1 Allowed 'Isoleucine or valine' 0 N--CA 1.497 1.888 0 O-C-N 121.536 -0.727 . . . . 0.0 109.211 -178.751 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 9.8 pttm -108.61 -42.85 4.42 Favored 'General case' 0 N--CA 1.501 2.108 0 O-C-N 121.476 -0.765 . . . . 0.0 109.678 179.926 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 14.9 mp0 -113.02 153.51 27.99 Favored 'General case' 0 N--CA 1.507 2.397 0 O-C-N 121.283 -0.885 . . . . 0.0 109.276 178.879 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 2.8 tm0? -60.25 -40.23 89.57 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.551 -0.718 . . . . 0.0 110.814 -179.624 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 4.5 pt-20 -60.19 -38.84 84.48 Favored 'General case' 0 N--CA 1.496 1.833 0 O-C-N 120.959 -1.088 . . . . 0.0 109.48 -179.629 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 54.0 t -60.05 -40.54 83.53 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.508 0 O-C-N 121.184 -0.948 . . . . 0.0 108.617 179.861 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.411 ' CG2' HG23 ' A' ' 47' ' ' ILE . 56.0 t -60.89 -40.54 85.65 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.785 0 O-C-N 121.321 -0.862 . . . . 0.0 109.684 179.348 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . 0.486 ' O ' ' OE1' ' A' ' 58' ' ' GLU . 93.5 m-20 -60.1 -41.25 92.14 Favored 'General case' 0 C--N 1.301 -1.534 0 O-C-N 121.256 -0.903 . . . . 0.0 109.987 -179.1 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 36.1 ttmt -60.72 -40.55 92.72 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.075 -1.015 . . . . 0.0 110.204 -179.67 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 62.6 t -60.82 -40.05 83.88 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.603 0 O-C-N 121.472 -0.767 . . . . 0.0 110.255 -179.234 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 33.3 ttm -60.19 -51.36 69.9 Favored 'General case' 0 N--CA 1.498 1.951 0 O-C-N 121.256 -0.903 . . . . 0.0 112.078 -178.679 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . 0.486 ' OE1' ' O ' ' A' ' 54' ' ' ASP . 10.8 mp0 -60.47 -40.1 90.05 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 120.958 -1.089 . . . . 0.0 109.457 -179.429 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 94.0 m -63.92 -49.51 72.34 Favored 'General case' 0 C--N 1.298 -1.635 0 C-N-CA 119.479 -0.888 . . . . 0.0 109.109 179.669 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 12.8 tp -69.19 -50.93 42.96 Favored 'General case' 0 C--N 1.303 -1.425 0 O-C-N 121.555 -0.716 . . . . 0.0 109.722 179.896 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 19.4 m-20 -81.87 105.99 13.44 Favored 'General case' 0 N--CA 1.495 1.805 0 O-C-N 121.061 -1.024 . . . . 0.0 110.093 -179.538 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 53.8 tp10 -69.95 -34.86 73.98 Favored 'General case' 0 N--CA 1.496 1.862 0 O-C-N 121.238 -0.914 . . . . 0.0 109.139 179.31 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . 0.405 ' OD1' ' N ' ' A' ' 65' ' ' ASP . 6.8 p30 -83.62 -6.37 59.43 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.521 -0.737 . . . . 0.0 110.762 -179.394 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 51.19 48.25 47.49 Favored Glycine 0 N--CA 1.491 2.312 0 N-CA-C 109.612 -1.395 . . . . 0.0 109.612 -179.513 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . 0.405 ' N ' ' OD1' ' A' ' 63' ' ' ASP . 96.3 m-20 -69.95 -19.63 63.36 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 120.895 -1.356 . . . . 0.0 109.893 -179.796 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 89.55 -11.41 70.16 Favored Glycine 0 N--CA 1.497 2.718 0 C-N-CA 120.166 -1.016 . . . . 0.0 110.563 178.951 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 -134.81 148.97 50.31 Favored 'General case' 0 N--CA 1.498 1.956 0 O-C-N 121.26 -1.141 . . . . 0.0 108.894 -179.849 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 7.9 p -106.2 118.46 36.69 Favored 'General case' 0 N--CA 1.5 2.06 0 O-C-N 121.331 -0.856 . . . . 0.0 110.48 -178.936 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 22.9 p30 -89.38 -177.78 5.44 Favored 'General case' 0 N--CA 1.498 1.93 0 O-C-N 121.06 -1.025 . . . . 0.0 108.838 178.576 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 70.7 t80 -60.2 -46.94 88.01 Favored 'General case' 0 N--CA 1.494 1.74 0 O-C-N 121.094 -1.004 . . . . 0.0 111.319 -178.565 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . 0.416 ' HG2' ' H ' ' A' ' 71' ' ' GLN . 1.4 pt20 -60.21 -50.05 75.2 Favored 'General case' 0 N--CA 1.495 1.779 0 O-C-N 120.82 -1.175 . . . . 0.0 110.009 -178.785 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 94.4 mt-10 -61.06 -37.26 82.05 Favored 'General case' 0 N--CA 1.497 1.88 0 O-C-N 120.795 -1.191 . . . . 0.0 109.192 179.131 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 89.0 t80 -59.86 -44.46 94.14 Favored 'General case' 0 N--CA 1.488 1.464 0 O-C-N 121.355 -0.841 . . . . 0.0 109.483 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 4.3 ttt -61.76 -37.73 85.4 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.212 -0.93 . . . . 0.0 109.273 179.559 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -59.33 -39.83 84.39 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.257 -0.902 . . . . 0.0 109.001 -179.831 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 62.6 t80 -60.28 -49.13 78.82 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.199 -0.938 . . . . 0.0 109.236 179.396 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 56.7 t -62.57 -45.7 98.17 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.491 0 O-C-N 121.335 -0.853 . . . . 0.0 109.338 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 53.1 m -62.73 -42.5 99.69 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.576 -0.703 . . . . 0.0 109.889 -179.819 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 5.9 ttp -61.9 -48.94 78.24 Favored 'General case' 0 N--CA 1.494 1.758 0 O-C-N 121.116 -0.99 . . . . 0.0 109.243 179.843 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 78.7 t -68.33 -41.86 83.9 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.472 0 O-C-N 121.547 -0.721 . . . . 0.0 109.226 179.919 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 92.2 m -62.77 -40.05 96.07 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.252 -0.905 . . . . 0.0 109.557 -179.685 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 93.2 m -69.57 -41.69 75.51 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.347 -0.846 . . . . 0.0 110.793 -179.425 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -62.87 -48.11 80.45 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 120.977 -1.077 . . . . 0.0 109.451 -179.457 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 84' ' ' CYS . . . . . 0.498 ' SG ' ' O ' ' A' ' 84' ' ' CYS . 28.0 p -80.03 105.44 11.31 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.181 -0.949 . . . . 0.0 108.94 179.69 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 6.8 t60 -61.56 -40.4 94.58 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.275 -0.891 . . . . 0.0 109.59 -179.589 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -152.49 -77.48 0.12 Allowed 'General case' 0 N--CA 1.496 1.867 0 N-CA-C 108.046 -1.094 . . . . 0.0 108.046 179.37 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER 59.78 18.78 7.62 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.423 -0.798 . . . . 0.0 109.42 179.212 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . 0.545 ' CD1' ' O ' ' A' ' 88' ' ' PHE . 0.2 OUTLIER . . . . . 0 N--CA 1.493 1.695 0 O-C-N 121.136 -0.978 . . . . 0.0 109.305 179.877 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 77.2 p . . . . . 0 N--CA 1.488 1.455 0 CA-C-O 121.635 0.731 . . . . 0.0 109.905 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -60.67 -39.79 89.72 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.561 -0.712 . . . . 0.0 109.502 179.919 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 3' ' ' LEU . . . . . 0.561 HD13 ' O ' ' B' ' 3' ' ' LEU . 0.3 OUTLIER -59.94 -41.59 92.16 Favored 'General case' 0 C--N 1.3 -1.581 0 O-C-N 121.183 -0.948 . . . . 0.0 108.922 -179.365 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 79.2 mm-40 -61.06 -44.83 96.8 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.326 -0.858 . . . . 0.0 109.187 179.819 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 36.8 ttmt -62.27 -39.91 94.5 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.371 -0.83 . . . . 0.0 109.69 179.49 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -60.17 -48.58 81.13 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.24 -0.912 . . . . 0.0 110.013 -179.462 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 7' ' ' MET . . . . . . . . . . . . . 7.5 ttp -59.92 -40.37 88.64 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 120.981 -1.075 . . . . 0.0 109.677 -179.786 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 54.2 t -65.41 -38.93 83.69 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.625 0 O-C-N 121.25 -0.906 . . . . 0.0 109.634 179.356 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.19 -40.59 86.2 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.231 -0.918 . . . . 0.0 110.35 -178.881 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -59.82 -43.6 94.46 Favored 'General case' 0 N--CA 1.496 1.861 0 O-C-N 120.634 -1.291 . . . . 0.0 109.511 179.878 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 94.4 mt -71.48 -47.27 59.57 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.621 0 O-C-N 120.971 -1.081 . . . . 0.0 110.298 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 45.4 t0 -69.39 -45.55 69.01 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.187 -0.946 . . . . 0.0 111.149 -178.936 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 70.5 t -60.31 -41.07 85.8 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.812 0 O-C-N 120.795 -1.191 . . . . 0.0 110.161 -179.15 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 14' ' ' PHE . . . . . . . . . . . . . 53.5 t80 -59.93 -45.17 93.46 Favored 'General case' 0 C--N 1.296 -1.729 0 O-C-N 121.086 -1.008 . . . . 0.0 110.382 -178.67 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 56.1 t-80 -65.89 -39.69 90.88 Favored 'General case' 0 C--N 1.297 -1.714 0 O-C-N 121.425 -0.797 . . . . 0.0 111.298 -179.034 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 15.3 mm100 -59.95 -49.21 78.59 Favored 'General case' 0 N--CA 1.498 1.929 0 O-C-N 120.866 -1.146 . . . . 0.0 111.254 -177.936 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 51.7 m-85 -68.86 -40.15 79.49 Favored 'General case' 0 N--CA 1.497 1.902 0 O-C-N 120.688 -1.258 . . . . 0.0 110.99 -179.209 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 42.4 t -60.86 -43.87 97.78 Favored 'General case' 0 N--CA 1.498 1.941 0 O-C-N 120.675 -1.265 . . . . 0.0 110.881 -178.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -81.43 -3.2 90.69 Favored Glycine 0 N--CA 1.491 2.353 0 O-C-N 121.117 -0.989 . . . . 0.0 111.66 -178.449 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 2.0 ppt_? -60.1 -41.23 92.08 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 120.574 -1.545 . . . . 0.0 110.86 -178.358 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 87.5 tt0 -77.66 -40.2 42.43 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 120.632 -1.293 . . . . 0.0 109.57 -179.807 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . 150.89 -28.24 1.02 Allowed Glycine 0 N--CA 1.493 2.437 0 N-CA-C 109.287 -1.525 . . . . 0.0 109.287 -179.572 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 94.7 m-20 -96.58 110.87 23.19 Favored 'General case' 0 N--CA 1.495 1.782 0 O-C-N 121.292 -1.122 . . . . 0.0 108.846 179.83 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 24' ' ' LYS . . . . . 0.415 ' H ' ' HG2' ' B' ' 24' ' ' LYS . 16.1 pttm -99.77 99.51 10.34 Favored 'General case' 0 N--CA 1.501 2.087 0 O-C-N 121.282 -0.886 . . . . 0.0 110.302 -179.932 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 25' ' ' HIS . . . . . . . . . . . . . 21.4 t-160 -178.45 -47.95 0.01 OUTLIER 'General case' 0 N--CA 1.495 1.818 0 O-C-N 121.48 -0.762 . . . . 0.0 110.293 179.333 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 48.9 pttt -146.27 161.08 41.06 Favored 'General case' 0 N--CA 1.496 1.828 0 O-C-N 121.288 -0.883 . . . . 0.0 110.057 -178.096 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 27' ' ' LEU . . . . . 0.437 HD12 ' N ' ' B' ' 27' ' ' LEU . 5.4 mp -104.78 142.01 35.47 Favored 'General case' 0 N--CA 1.5 2.038 0 O-C-N 121.332 -0.855 . . . . 0.0 109.798 -179.482 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -90.42 176.82 6.57 Favored 'General case' 0 N--CA 1.498 1.947 0 O-C-N 121.141 -0.974 . . . . 0.0 109.106 179.636 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 5.9 mtmp? -59.93 -47.11 87.11 Favored 'General case' 0 N--CA 1.495 1.789 0 O-C-N 120.991 -1.068 . . . . 0.0 110.493 -178.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 47.3 t -62.85 -44.32 96.45 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 121.081 -1.012 . . . . 0.0 109.994 -179.21 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 86.4 tt0 -70.03 -31.95 69.85 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.398 -0.814 . . . . 0.0 110.217 -179.761 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 69.0 tp -59.87 -49.94 75.72 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.16 -0.962 . . . . 0.0 110.122 -178.178 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.59 -38.29 84.15 Favored 'General case' 0 C--N 1.302 -1.484 0 O-C-N 120.971 -1.08 . . . . 0.0 109.74 179.764 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 34' ' ' GLU . . . . . 0.466 ' O ' ' OD1' ' B' ' 38' ' ' ASN . 88.0 tt0 -60.19 -44.23 95.26 Favored 'General case' 0 N--CA 1.494 1.769 0 O-C-N 120.964 -1.085 . . . . 0.0 110.063 -179.578 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 21.1 tp -60.07 -41.27 92.06 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 121.349 -0.845 . . . . 0.0 109.167 -179.682 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 96.7 mt -69.65 -35.93 68.18 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.6 0 O-C-N 121.57 -0.706 . . . . 0.0 110.532 -179.609 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 52.6 t30 -59.77 -46.69 88.41 Favored 'General case' 0 N--CA 1.498 1.938 0 O-C-N 121.018 -1.051 . . . . 0.0 111.404 -177.737 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 38' ' ' ASN . . . . . 0.534 HD22 ' CD ' ' B' ' 39' ' ' GLU . 0.3 OUTLIER -79.76 -17.38 53.6 Favored 'General case' 0 N--CA 1.498 1.957 0 O-C-N 120.705 -1.247 . . . . 0.0 109.86 -179.866 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' B' B ' 39' ' ' GLU . . . . . 0.534 ' CD ' HD22 ' B' ' 38' ' ' ASN . 0.2 OUTLIER -88.53 -74.98 0.44 Allowed 'General case' 0 N--CA 1.496 1.851 0 O-C-N 120.854 -1.154 . . . . 0.0 109.04 179.641 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 5.5 mp -93.45 103.65 15.84 Favored 'General case' 0 N--CA 1.497 1.897 0 O-C-N 121.208 -0.932 . . . . 0.0 109.215 -179.594 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 54.2 p -100.97 -42.69 6.31 Favored 'General case' 0 N--CA 1.496 1.837 0 O-C-N 121.337 -0.852 . . . . 0.0 110.261 179.862 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 42' ' ' HIS . . . . . . . . . . . . . 70.7 t60 -124.35 -12.14 7.34 Favored 'General case' 0 N--CA 1.503 2.216 0 O-C-N 121.332 -0.855 . . . . 0.0 110.495 -178.918 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 43.8 t80 -67.5 -43.08 81.75 Favored 'General case' 0 N--CA 1.496 1.828 0 O-C-N 120.739 -1.226 . . . . 0.0 108.899 -179.587 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 7.9 tp -103.66 132.57 49.79 Favored 'General case' 0 N--CA 1.494 1.752 0 N-CA-C 109.104 -0.702 . . . . 0.0 109.104 -179.621 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 86.8 tt0 -99.7 -10.45 21.91 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.435 -0.79 . . . . 0.0 109.787 -179.577 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 46' ' ' GLU . . . . . 0.42 ' HG3' ' H ' ' B' ' 47' ' ' ILE . 5.4 tp10 -78.32 -164.21 0.53 Allowed 'General case' 0 N--CA 1.493 1.694 0 O-C-N 120.597 -1.314 . . . . 0.0 110.536 -178.659 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 47' ' ' ILE . . . . . 0.42 ' H ' ' HG3' ' B' ' 46' ' ' GLU . 87.4 mt 56.84 72.59 0.1 Allowed 'Isoleucine or valine' 0 N--CA 1.496 1.861 0 O-C-N 121.499 -0.751 . . . . 0.0 109.19 -178.909 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 8.9 pttm -108.8 -43.77 4.17 Favored 'General case' 0 N--CA 1.501 2.12 0 O-C-N 121.493 -0.754 . . . . 0.0 109.93 -179.89 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 13.7 mp0 -111.8 153.84 25.97 Favored 'General case' 0 N--CA 1.506 2.345 0 O-C-N 121.384 -0.822 . . . . 0.0 109.325 179.083 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 3.9 tm0? -60.43 -40.53 91.42 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.605 -0.684 . . . . 0.0 110.573 -179.724 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 4.3 pt-20 -59.98 -39.1 84.52 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 121.07 -1.019 . . . . 0.0 109.527 -179.683 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 56.0 t -60.19 -40.57 83.97 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.375 0 O-C-N 121.252 -0.905 . . . . 0.0 108.698 179.685 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 55.5 t -60.66 -40.4 84.61 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.635 0 O-C-N 121.237 -0.915 . . . . 0.0 109.843 178.956 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 54' ' ' ASP . . . . . 0.499 ' O ' ' OE1' ' B' ' 58' ' ' GLU . 92.7 m-20 -60.16 -41.4 92.75 Favored 'General case' 0 N--CA 1.487 1.415 0 C-N-CA 119.215 -0.994 . . . . 0.0 109.644 -178.357 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 35.4 ttmt -59.97 -40.71 90.02 Favored 'General case' 0 N--CA 1.494 1.742 0 O-C-N 121.055 -1.028 . . . . 0.0 110.145 -179.52 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 54.2 t -60.84 -39.96 83.61 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.633 0 O-C-N 121.396 -0.815 . . . . 0.0 110.512 -179.125 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 57' ' ' MET . . . . . . . . . . . . . 31.7 ttm -60.18 -51.44 69.57 Favored 'General case' 0 N--CA 1.496 1.864 0 O-C-N 121.306 -0.871 . . . . 0.0 111.741 -178.53 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 58' ' ' GLU . . . . . 0.499 ' OE1' ' O ' ' B' ' 54' ' ' ASP . 9.8 mp0 -59.96 -40.37 88.82 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 120.98 -1.075 . . . . 0.0 109.434 -179.724 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 95.2 m -63.99 -49.98 70.35 Favored 'General case' 0 C--N 1.301 -1.503 0 C-N-CA 119.499 -0.88 . . . . 0.0 109.16 179.847 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 13.9 tp -68.87 -50.76 47.04 Favored 'General case' 0 C--N 1.302 -1.483 0 O-C-N 121.468 -0.77 . . . . 0.0 109.533 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 18.8 m-20 -81.74 105.04 12.56 Favored 'General case' 0 N--CA 1.498 1.93 0 O-C-N 121.099 -1.001 . . . . 0.0 110.531 -179.597 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 53.9 tp10 -70.0 -33.33 71.89 Favored 'General case' 0 N--CA 1.498 1.956 0 O-C-N 121.278 -0.889 . . . . 0.0 109.444 179.316 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 7.8 p30 -85.68 -5.82 59.21 Favored 'General case' 0 N--CA 1.499 1.989 0 O-C-N 121.285 -0.884 . . . . 0.0 110.136 -179.492 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 49.55 49.53 32.92 Favored Glycine 0 N--CA 1.493 2.462 0 N-CA-C 109.47 -1.452 . . . . 0.0 109.47 -179.281 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 94.3 m-20 -70.05 -19.55 63.28 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 120.95 -1.323 . . . . 0.0 109.507 -179.734 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 89.93 -10.73 72.89 Favored Glycine 0 N--CA 1.497 2.716 0 N-CA-C 110.435 -1.066 . . . . 0.0 110.435 178.774 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -134.53 148.62 50.55 Favored 'General case' 0 N--CA 1.498 1.95 0 O-C-N 121.34 -1.094 . . . . 0.0 108.721 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 68' ' ' CYS . . . . . . . . . . . . . 11.4 p -106.67 118.9 37.89 Favored 'General case' 0 N--CA 1.5 2.035 0 O-C-N 121.286 -0.884 . . . . 0.0 110.362 -179.098 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 24.9 p30 -89.94 -178.32 5.43 Favored 'General case' 0 N--CA 1.495 1.802 0 O-C-N 121.133 -0.98 . . . . 0.0 108.804 178.853 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 76.7 t80 -59.62 -47.43 85.62 Favored 'General case' 0 N--CA 1.496 1.827 0 O-C-N 121.249 -0.907 . . . . 0.0 111.349 -178.514 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 71' ' ' GLN . . . . . 0.408 ' HG2' ' H ' ' B' ' 71' ' ' GLN . 1.5 pt20 -59.84 -48.7 80.61 Favored 'General case' 0 N--CA 1.494 1.74 0 O-C-N 120.667 -1.271 . . . . 0.0 109.973 -178.665 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 94.7 mt-10 -62.76 -36.67 83.82 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 120.802 -1.186 . . . . 0.0 109.085 179.613 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 73' ' ' PHE . . . . . . . . . . . . . 89.2 t80 -60.02 -44.61 94.5 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.606 -0.684 . . . . 0.0 109.179 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 74' ' ' MET . . . . . . . . . . . . . 3.9 ttt -60.37 -38.83 85.11 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.299 -0.876 . . . . 0.0 109.205 179.294 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -59.36 -40.07 85.26 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.144 -0.973 . . . . 0.0 109.239 -179.118 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 54.6 t80 -59.95 -49.29 78.28 Favored 'General case' 0 C--N 1.302 -1.496 0 O-C-N 121.352 -0.842 . . . . 0.0 109.455 179.535 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 77' ' ' VAL . . . . . . . . . . . . . 54.6 t -61.99 -46.6 96.12 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.517 0 O-C-N 121.258 -0.901 . . . . 0.0 108.759 179.55 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 78' ' ' SER . . . . . . . . . . . . . 57.0 m -61.48 -43.86 98.12 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.408 -0.808 . . . . 0.0 109.845 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 79' ' ' MET . . . . . . . . . . . . . 7.1 ttp -60.4 -49.58 77.0 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.168 -0.957 . . . . 0.0 109.493 179.66 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 73.8 t -68.66 -41.17 82.55 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.51 0 O-C-N 121.467 -0.77 . . . . 0.0 109.338 -179.687 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 92.0 m -62.67 -40.33 96.74 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.305 -0.872 . . . . 0.0 109.463 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 89.9 m -69.39 -43.57 73.23 Favored 'General case' 0 N--CA 1.494 1.761 0 O-C-N 121.408 -0.807 . . . . 0.0 110.636 -179.228 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -60.96 -48.37 82.13 Favored 'General case' 0 N--CA 1.495 1.776 0 O-C-N 120.99 -1.069 . . . . 0.0 109.696 -179.373 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 84' ' ' CYS . . . . . 0.507 ' SG ' ' O ' ' B' ' 84' ' ' CYS . 29.6 p -80.57 105.57 11.92 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 121.185 -0.947 . . . . 0.0 108.945 179.74 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 85' ' ' HIS . . . . . . . . . . . . . 6.5 t60 -61.21 -39.99 92.31 Favored 'General case' 0 C--N 1.302 -1.483 0 O-C-N 121.136 -0.977 . . . . 0.0 109.778 -179.511 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -153.29 -76.7 0.12 Allowed 'General case' 0 N--CA 1.496 1.869 0 N-CA-C 108.0 -1.111 . . . . 0.0 108.0 179.608 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 87' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER 58.72 19.67 7.07 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.506 -0.746 . . . . 0.0 109.607 179.284 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 88' ' ' PHE . . . . . 0.541 ' O ' ' CD1' ' B' ' 88' ' ' PHE . 0.2 OUTLIER . . . . . 0 N--CA 1.492 1.645 0 O-C-N 121.066 -1.021 . . . . 0.0 109.428 179.849 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 25.9 t . . . . . 0 N--CA 1.498 1.948 0 N-CA-C 109.152 -0.684 . . . . 0.0 109.152 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 81.3 mm-40 -68.28 -38.06 81.31 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.282 -0.886 . . . . 0.0 109.231 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 6.4 tp -60.04 -43.45 95.32 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.249 -0.907 . . . . 0.0 109.103 -179.813 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 40.5 tt0 -63.81 -39.94 95.44 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.237 -0.914 . . . . 0.0 110.294 -179.792 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 3.2 ttmp? -60.11 -41.41 92.54 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.018 -1.051 . . . . 0.0 108.742 -179.691 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . 0.481 ' HB1' ' HB1' ' B' ' 6' ' ' ALA . . . -61.98 -40.01 94.12 Favored 'General case' 0 C--N 1.303 -1.439 0 O-C-N 121.376 -0.827 . . . . 0.0 109.3 179.712 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 91.1 mmm -60.11 -39.94 87.94 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.203 -0.936 . . . . 0.0 109.833 -179.636 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 54.4 t -67.6 -40.1 83.53 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.661 0 O-C-N 121.095 -1.003 . . . . 0.0 109.873 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -63.07 -41.47 99.45 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.267 -0.896 . . . . 0.0 110.57 -179.184 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 8.3 mp -60.06 -46.32 89.94 Favored 'General case' 0 N--CA 1.494 1.766 0 O-C-N 120.957 -1.089 . . . . 0.0 109.284 -179.677 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 90.5 mt -65.75 -41.11 89.63 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.539 0 O-C-N 121.299 -0.875 . . . . 0.0 109.539 -179.901 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . 0.401 ' OD1' ' C ' ' A' ' 12' ' ' ASP . 22.3 t0 -62.66 -49.5 74.9 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.448 -0.782 . . . . 0.0 111.142 -178.881 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 55.9 t -61.24 -41.16 88.53 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.701 0 O-C-N 121.041 -1.037 . . . . 0.0 110.36 -178.551 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . 0.455 ' CZ ' HD23 ' A' ' 27' ' ' LEU . 30.6 t80 -60.1 -52.05 67.02 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.251 -0.906 . . . . 0.0 111.729 -178.674 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 12.3 t-80 -81.84 -36.15 28.61 Favored 'General case' 0 N--CA 1.497 1.919 0 O-C-N 121.061 -1.024 . . . . 0.0 112.613 -178.081 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 66.6 tt0 -60.01 -54.44 45.96 Favored 'General case' 0 N--CA 1.494 1.739 0 O-C-N 120.87 -1.144 . . . . 0.0 113.013 -176.096 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . 0.49 ' O ' ' CD1' ' A' ' 17' ' ' TYR . 8.5 t80 -82.12 -20.79 37.34 Favored 'General case' 0 N--CA 1.501 2.081 0 O-C-N 120.707 -1.245 . . . . 0.0 112.422 -176.889 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 35.4 t -66.14 -44.77 83.25 Favored 'General case' 0 N--CA 1.497 1.914 0 O-C-N 120.753 -1.217 . . . . 0.0 113.145 -177.554 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -81.06 -11.46 83.67 Favored Glycine 0 N--CA 1.5 2.905 0 O-C-N 120.504 -1.373 . . . . 0.0 112.365 -177.283 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 28.7 mmt180 -60.58 -50.35 73.87 Favored 'General case' 0 N--CA 1.497 1.884 0 O-C-N 120.393 -1.651 . . . . 0.0 110.458 -178.858 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 85.2 tt0 -172.27 -18.47 0.01 OUTLIER 'General case' 0 N--CA 1.494 1.766 0 O-C-N 121.212 -0.93 . . . . 0.0 109.838 -179.411 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -57.07 -49.96 67.85 Favored Glycine 0 N--CA 1.491 2.335 0 N-CA-C 109.955 -1.258 . . . . 0.0 109.955 -179.39 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . 0.501 ' OD1' ' N ' ' A' ' 24' ' ' LYS . 9.4 t70 -162.78 168.52 21.32 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.133 -1.216 . . . . 0.0 109.686 -179.877 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . 0.501 ' N ' ' OD1' ' A' ' 23' ' ' ASP . 17.2 ttmm -85.18 100.07 11.5 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.08 -1.013 . . . . 0.0 110.905 -179.063 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 9.6 t60 39.4 26.82 0.02 OUTLIER 'General case' 0 N--CA 1.495 1.805 0 O-C-N 121.715 -0.616 . . . . 0.0 111.801 178.01 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.438 ' N ' ' O ' ' A' ' 24' ' ' LYS . 86.2 mttt -146.0 160.93 41.18 Favored 'General case' 0 N--CA 1.502 2.126 0 O-C-N 120.728 -1.233 . . . . 0.0 108.944 178.815 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.455 HD23 ' CZ ' ' A' ' 14' ' ' PHE . 3.3 mm? -104.4 129.98 52.31 Favored 'General case' 0 N--CA 1.501 2.095 0 O-C-N 121.245 -0.909 . . . . 0.0 109.584 -179.738 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 40.4 mmtt -124.43 161.15 26.62 Favored 'General case' 0 N--CA 1.498 1.937 0 N-CA-C 108.11 -1.07 . . . . 0.0 108.11 179.16 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.0 -24.57 2.68 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.088 -1.008 . . . . 0.0 110.278 -179.428 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 51.7 p -64.69 -42.2 95.48 Favored 'General case' 0 N--CA 1.495 1.808 0 O-C-N 120.937 -1.102 . . . . 0.0 110.953 -179.379 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 37.0 mt-10 -68.1 -35.65 78.49 Favored 'General case' 0 N--CA 1.497 1.907 0 O-C-N 120.792 -1.192 . . . . 0.0 110.66 -179.449 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.536 HD12 ' N ' ' A' ' 32' ' ' LEU . 10.8 mp -59.88 -41.46 91.63 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 120.93 -1.106 . . . . 0.0 109.199 -179.144 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 86.5 tttt -59.86 -41.85 92.41 Favored 'General case' 0 C--N 1.301 -1.504 0 O-C-N 120.946 -1.096 . . . . 0.0 109.265 179.251 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . 0.445 ' OE1' ' ND2' ' A' ' 38' ' ' ASN . 1.9 mm-40 -66.23 -51.64 55.6 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.232 -0.918 . . . . 0.0 109.66 -179.927 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 70.5 mt -60.11 -46.83 88.29 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.139 -0.976 . . . . 0.0 109.306 -179.74 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.503 ' O ' ' O ' ' A' ' 40' ' ' LEU . 96.6 mt -62.69 -39.43 84.71 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.445 0 O-C-N 121.447 -0.783 . . . . 0.0 109.856 -179.852 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 59.0 t-20 -75.89 -57.34 3.94 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.105 -0.997 . . . . 0.0 111.708 -178.696 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . 0.445 ' ND2' ' OE1' ' A' ' 34' ' ' GLU . 98.6 m-20 -80.18 -69.36 0.6 Allowed 'General case' 0 N--CA 1.498 1.958 0 O-C-N 120.965 -1.084 . . . . 0.0 112.659 -177.399 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 30.5 tt0 -57.16 -84.59 0.01 OUTLIER 'General case' 0 N--CA 1.497 1.902 0 O-C-N 120.956 -1.09 . . . . 0.0 111.163 -177.129 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.503 ' O ' ' O ' ' A' ' 36' ' ' ILE . 3.8 mm? -71.55 147.85 47.26 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 120.711 -1.243 . . . . 0.0 108.838 -179.925 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 5.1 t -166.81 -18.52 0.02 OUTLIER 'General case' 0 C--N 1.299 -1.597 0 O-C-N 121.259 -0.901 . . . . 0.0 109.894 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 60.2 t-80 -75.35 -57.57 3.81 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.111 -0.993 . . . . 0.0 111.026 -179.115 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 70.8 m-85 -69.93 -42.06 73.78 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.21 -0.931 . . . . 0.0 111.275 -178.13 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 23.2 mt -121.78 132.8 54.8 Favored 'General case' 0 N--CA 1.503 2.202 0 O-C-N 121.347 -0.846 . . . . 0.0 109.485 -179.429 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 61.8 tt0 -162.2 23.12 0.11 Allowed 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.124 -0.985 . . . . 0.0 109.437 179.923 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 69.4 mm-40 -102.15 13.86 33.54 Favored 'General case' 0 N--CA 1.501 2.075 0 O-C-N 121.156 -0.965 . . . . 0.0 110.722 -179.231 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 30.3 mm -68.28 96.49 0.35 Allowed 'Isoleucine or valine' 0 N--CA 1.488 1.458 0 O-C-N 120.648 -1.282 . . . . 0.0 108.911 -179.627 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 68.6 mttm -116.67 -28.38 6.4 Favored 'General case' 0 N--CA 1.496 1.847 0 N-CA-C 109.076 -0.712 . . . . 0.0 109.076 179.821 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -129.94 150.08 51.39 Favored 'General case' 0 N--CA 1.498 1.956 0 O-C-N 121.651 -0.656 . . . . 0.0 109.957 -179.22 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . 0.473 ' CD ' ' N ' ' A' ' 50' ' ' GLN . 14.8 mp0 -69.98 -25.28 63.54 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.484 -0.76 . . . . 0.0 109.349 179.616 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 71.3 mm-40 -59.98 -40.01 87.66 Favored 'General case' 0 N--CA 1.488 1.426 0 O-C-N 121.318 -0.864 . . . . 0.0 109.408 -179.358 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 54.6 t -65.86 -40.99 89.14 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.511 0 O-C-N 121.197 -0.939 . . . . 0.0 109.023 179.643 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 60.7 t -60.85 -44.59 98.0 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.584 0 O-C-N 121.331 -0.856 . . . . 0.0 109.478 -179.629 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 12.8 t0 -60.05 -43.43 95.37 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.176 -0.953 . . . . 0.0 109.652 -179.892 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 61.0 mttp -64.29 -40.06 95.19 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.165 -0.96 . . . . 0.0 109.662 -179.702 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 54.8 t -60.65 -40.95 86.33 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.507 0 O-C-N 121.26 -0.9 . . . . 0.0 109.373 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 86.3 mtp -65.35 -40.03 93.1 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.35 -0.844 . . . . 0.0 110.058 -179.351 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 88.8 tt0 -62.81 -42.91 99.92 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.167 -0.958 . . . . 0.0 109.703 -179.562 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 94.7 m -64.35 -50.16 68.85 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.155 -0.966 . . . . 0.0 109.744 -179.645 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 61.5 tp -63.09 -49.8 73.04 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.304 -0.872 . . . . 0.0 110.124 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 96.3 m-20 -80.49 108.95 14.55 Favored 'General case' 0 C--N 1.302 -1.475 0 O-C-N 121.397 -0.814 . . . . 0.0 109.97 -178.562 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 81.1 tt0 -67.93 -40.01 83.39 Favored 'General case' 0 N--CA 1.486 1.366 0 O-C-N 121.281 -0.887 . . . . 0.0 108.646 179.034 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . 0.432 ' OD1' ' N ' ' A' ' 63' ' ' ASP . 18.3 p-10 -74.14 -50.47 19.26 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.376 -0.828 . . . . 0.0 109.383 179.51 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 82.41 53.51 3.6 Favored Glycine 0 N--CA 1.493 2.439 0 N-CA-C 110.463 -1.055 . . . . 0.0 110.463 179.5 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 39.9 p-10 -80.6 -5.65 57.15 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 120.891 -1.358 . . . . 0.0 109.2 179.626 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 73.45 18.21 79.28 Favored Glycine 0 N--CA 1.493 2.487 0 N-CA-C 110.311 -1.116 . . . . 0.0 110.311 179.197 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 93.3 mt-10 -134.97 149.15 50.17 Favored 'General case' 0 N--CA 1.499 1.999 0 O-C-N 121.256 -1.143 . . . . 0.0 108.864 -179.897 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 3.8 m -109.47 108.05 18.4 Favored 'General case' 0 N--CA 1.5 2.036 0 O-C-N 121.457 -0.777 . . . . 0.0 109.641 -179.912 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 94.3 m-20 -98.57 171.68 7.98 Favored 'General case' 0 N--CA 1.496 1.827 0 O-C-N 121.481 -0.762 . . . . 0.0 109.535 179.645 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 47.8 t80 -59.91 -40.2 88.0 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.328 -0.857 . . . . 0.0 109.195 179.266 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 63.0 tt0 -60.06 -40.75 90.54 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.246 -0.909 . . . . 0.0 109.481 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 72.3 mt-10 -70.04 -35.69 74.48 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.307 -0.871 . . . . 0.0 110.39 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 70.6 t80 -59.96 -42.08 93.3 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.108 -0.995 . . . . 0.0 109.507 -179.527 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' MET . . . . . 0.461 ' SD ' ' O ' ' A' ' 74' ' ' MET . 0.0 OUTLIER -59.97 -39.97 87.48 Favored 'General case' 0 C--N 1.301 -1.543 0 O-C-N 121.218 -0.926 . . . . 0.0 108.549 179.267 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -59.99 -37.25 79.09 Favored 'General case' 0 N--CA 1.494 1.769 0 O-C-N 121.523 -0.736 . . . . 0.0 110.722 -179.754 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 45.2 t80 -60.0 -42.34 94.05 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 120.862 -1.149 . . . . 0.0 110.013 -178.899 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 84.6 t -63.77 -41.83 93.9 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.523 0 O-C-N 121.036 -1.04 . . . . 0.0 109.859 -179.639 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 95.0 p -61.13 -40.04 92.3 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.442 -0.786 . . . . 0.0 110.137 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 32.5 ttp -59.91 -40.03 87.44 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.281 -0.887 . . . . 0.0 110.408 -178.938 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 55.2 t -60.08 -40.63 83.85 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.538 0 O-C-N 121.044 -1.035 . . . . 0.0 109.879 -178.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 31.4 p -67.07 -39.93 86.93 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.086 -1.009 . . . . 0.0 110.136 -179.541 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 36.8 p -64.33 -40.06 95.14 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.164 -0.96 . . . . 0.0 110.309 -179.559 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -79.55 -14.17 59.03 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.117 -0.99 . . . . 0.0 109.595 -179.665 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 12.7 t -57.42 156.55 7.74 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.31 -0.869 . . . . 0.0 110.047 -179.662 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 16.9 p-80 -87.96 -145.02 0.14 Allowed 'General case' 0 N--CA 1.494 1.733 0 O-C-N 121.272 -0.892 . . . . 0.0 108.969 179.58 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 53.2 tp10 -130.24 -23.87 2.64 Favored 'General case' 0 N--CA 1.502 2.171 0 O-C-N 120.866 -1.146 . . . . 0.0 110.784 -178.757 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 13.1 m-85 -80.6 68.52 6.84 Favored 'General case' 0 N--CA 1.497 1.916 0 O-C-N 120.755 -1.215 . . . . 0.0 110.471 -179.287 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 2.7 t80 . . . . . 0 N--CA 1.494 1.766 0 O-C-N 121.114 -0.991 . . . . 0.0 109.094 178.847 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 21.7 t . . . . . 0 N--CA 1.498 1.926 0 N-CA-C 108.993 -0.743 . . . . 0.0 108.993 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 81.3 mm-40 -67.96 -38.12 82.4 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.291 -0.881 . . . . 0.0 109.18 179.906 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 5.8 tp -59.95 -43.62 94.91 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.296 -0.877 . . . . 0.0 109.185 -179.698 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 40.5 tt0 -63.65 -40.0 95.76 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 121.303 -0.873 . . . . 0.0 110.185 -179.819 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 3.3 ttmp? -59.99 -41.41 91.98 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.049 -1.032 . . . . 0.0 108.805 -179.632 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 6' ' ' ALA . . . . . 0.481 ' HB1' ' HB1' ' A' ' 6' ' ' ALA . . . -62.1 -40.02 94.45 Favored 'General case' 0 C--N 1.302 -1.463 0 O-C-N 121.365 -0.834 . . . . 0.0 109.441 179.645 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 7' ' ' MET . . . . . . . . . . . . . 92.0 mmm -60.0 -39.98 87.64 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.222 -0.924 . . . . 0.0 109.669 -179.806 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 54.5 t -67.97 -40.1 82.74 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.529 0 O-C-N 121.184 -0.947 . . . . 0.0 109.776 -179.766 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -63.02 -41.15 99.47 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.136 -0.978 . . . . 0.0 110.654 -179.391 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 8.4 mp -60.08 -46.56 89.17 Favored 'General case' 0 N--CA 1.495 1.8 0 O-C-N 120.921 -1.112 . . . . 0.0 109.175 -179.801 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 95.8 mt -65.45 -41.36 90.86 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.541 0 O-C-N 121.178 -0.951 . . . . 0.0 109.598 -179.825 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 12' ' ' ASP . . . . . 0.405 ' C ' ' OD1' ' B' ' 12' ' ' ASP . 23.0 t0 -62.48 -49.38 75.61 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.385 -0.822 . . . . 0.0 111.116 -178.747 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 53.7 t -61.42 -41.11 88.66 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.675 0 O-C-N 121.155 -0.965 . . . . 0.0 110.356 -178.45 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 14' ' ' PHE . . . . . 0.405 ' CD1' ' C ' ' B' ' 14' ' ' PHE . 29.4 t80 -59.93 -51.57 69.14 Favored 'General case' 0 N--CA 1.494 1.743 0 O-C-N 121.32 -0.863 . . . . 0.0 111.761 -178.684 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 12.8 t-80 -82.6 -36.1 26.45 Favored 'General case' 0 N--CA 1.497 1.892 0 O-C-N 121.007 -1.058 . . . . 0.0 112.58 -177.885 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 66.5 tt0 -60.01 -54.44 46.05 Favored 'General case' 0 N--CA 1.494 1.763 0 O-C-N 120.871 -1.143 . . . . 0.0 112.994 -176.252 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 17' ' ' TYR . . . . . 0.495 ' CD1' ' O ' ' B' ' 17' ' ' TYR . 8.7 t80 -82.12 -20.67 37.57 Favored 'General case' 0 N--CA 1.501 2.107 0 O-C-N 120.747 -1.221 . . . . 0.0 112.604 -176.861 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 18' ' ' SER . . . . . 0.402 ' O ' ' O ' ' B' ' 23' ' ' ASP . 38.3 t -66.37 -44.45 83.13 Favored 'General case' 0 N--CA 1.498 1.942 0 O-C-N 120.81 -1.182 . . . . 0.0 113.037 -177.61 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -80.92 -12.16 82.99 Favored Glycine 0 N--CA 1.499 2.863 0 O-C-N 120.494 -1.378 . . . . 0.0 112.472 -177.257 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 28.8 mmt180 -60.37 -50.02 75.26 Favored 'General case' 0 N--CA 1.496 1.866 0 O-C-N 120.532 -1.569 . . . . 0.0 110.469 -178.584 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 84.9 tt0 -172.6 -18.3 0.01 OUTLIER 'General case' 0 N--CA 1.494 1.764 0 O-C-N 121.138 -0.976 . . . . 0.0 109.686 -179.421 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . -57.12 -49.76 69.55 Favored Glycine 0 N--CA 1.491 2.366 0 N-CA-C 110.057 -1.217 . . . . 0.0 110.057 -179.458 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 23' ' ' ASP . . . . . 0.477 ' OD1' ' N ' ' B' ' 24' ' ' LYS . 9.5 t70 -163.24 168.12 21.05 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.123 -1.222 . . . . 0.0 109.608 -179.922 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 24' ' ' LYS . . . . . 0.477 ' N ' ' OD1' ' B' ' 23' ' ' ASP . 17.1 ttmm -84.85 99.99 11.27 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.285 -0.885 . . . . 0.0 111.046 -178.889 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 25' ' ' HIS . . . . . . . . . . . . . 9.3 t60 39.55 26.99 0.02 OUTLIER 'General case' 0 N--CA 1.495 1.796 0 O-C-N 121.744 -0.598 . . . . 0.0 111.78 177.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 26' ' ' LYS . . . . . 0.43 ' N ' ' O ' ' B' ' 24' ' ' LYS . 86.1 mttt -146.28 160.84 41.46 Favored 'General case' 0 N--CA 1.5 2.058 0 O-C-N 120.665 -1.272 . . . . 0.0 108.93 178.88 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 2.0 mm? -104.75 130.43 52.82 Favored 'General case' 0 N--CA 1.498 1.97 0 O-C-N 121.149 -0.969 . . . . 0.0 109.596 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 33.9 mmtt -124.04 161.11 26.2 Favored 'General case' 0 N--CA 1.497 1.884 0 N-CA-C 108.208 -1.034 . . . . 0.0 108.208 179.155 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -49.96 -24.64 2.69 Favored 'General case' 0 N--CA 1.493 1.675 0 O-C-N 121.096 -1.003 . . . . 0.0 110.323 -179.585 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 52.4 p -64.78 -41.8 95.56 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 120.897 -1.127 . . . . 0.0 110.987 -179.204 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 34.4 mt-10 -68.28 -35.47 77.92 Favored 'General case' 0 N--CA 1.496 1.847 0 O-C-N 121.024 -1.048 . . . . 0.0 110.636 -179.332 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 32' ' ' LEU . . . . . 0.524 ' N ' HD12 ' B' ' 32' ' ' LEU . 10.8 mp -59.91 -41.49 91.79 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 120.823 -1.173 . . . . 0.0 109.263 -179.202 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 86.4 tttt -59.99 -42.57 94.5 Favored 'General case' 0 C--N 1.302 -1.489 0 O-C-N 120.987 -1.07 . . . . 0.0 109.07 179.503 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 34' ' ' GLU . . . . . 0.455 ' OE1' ' ND2' ' B' ' 38' ' ' ASN . 1.9 mm-40 -65.46 -51.48 59.84 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.214 -0.928 . . . . 0.0 109.655 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 61.3 mt -60.58 -46.66 89.42 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.014 -1.054 . . . . 0.0 109.393 -179.707 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 36' ' ' ILE . . . . . 0.51 ' O ' ' O ' ' B' ' 40' ' ' LEU . 97.0 mt -62.61 -39.37 84.35 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.499 0 O-C-N 121.437 -0.79 . . . . 0.0 109.782 -179.83 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 57.4 t-20 -76.16 -57.14 4.04 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 120.941 -1.099 . . . . 0.0 111.753 -178.52 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 38' ' ' ASN . . . . . 0.455 ' ND2' ' OE1' ' B' ' 34' ' ' GLU . 98.6 m-20 -79.94 -69.41 0.59 Allowed 'General case' 0 N--CA 1.496 1.848 0 O-C-N 120.947 -1.096 . . . . 0.0 112.731 -177.699 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 31.5 tt0 -57.34 -84.5 0.01 OUTLIER 'General case' 0 N--CA 1.497 1.902 0 O-C-N 121.029 -1.045 . . . . 0.0 111.165 -176.946 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 40' ' ' LEU . . . . . 0.51 ' O ' ' O ' ' B' ' 36' ' ' ILE . 4.0 mm? -71.26 147.56 48.05 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 120.792 -1.193 . . . . 0.0 108.651 -179.835 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 5.5 t -166.75 -18.6 0.02 OUTLIER 'General case' 0 C--N 1.3 -1.562 0 O-C-N 121.148 -0.97 . . . . 0.0 109.923 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 42' ' ' HIS . . . . . . . . . . . . . 60.1 t-80 -75.45 -57.65 3.76 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.155 -0.966 . . . . 0.0 111.0 -178.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 72.1 m-85 -69.91 -42.16 73.72 Favored 'General case' 0 N--CA 1.494 1.749 0 O-C-N 121.226 -0.921 . . . . 0.0 111.234 -178.199 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 33.2 mt -121.53 132.5 54.74 Favored 'General case' 0 N--CA 1.504 2.227 0 O-C-N 121.424 -0.798 . . . . 0.0 109.555 -179.219 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 60.3 tt0 -162.19 23.27 0.11 Allowed 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.136 -0.977 . . . . 0.0 109.474 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 69.4 mm-40 -102.28 14.04 33.02 Favored 'General case' 0 N--CA 1.498 1.935 0 O-C-N 121.184 -0.947 . . . . 0.0 110.595 -179.339 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 29.5 mm -68.54 96.97 0.39 Allowed 'Isoleucine or valine' 0 N--CA 1.488 1.462 0 O-C-N 120.554 -1.341 . . . . 0.0 108.95 -179.662 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 68.7 mttm -117.05 -28.22 6.3 Favored 'General case' 0 N--CA 1.497 1.907 0 N-CA-C 109.007 -0.738 . . . . 0.0 109.007 179.666 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -129.97 150.05 51.42 Favored 'General case' 0 N--CA 1.498 1.934 0 O-C-N 121.588 -0.695 . . . . 0.0 109.82 -179.219 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 50' ' ' GLN . . . . . 0.491 ' N ' ' CD ' ' B' ' 50' ' ' GLN . 15.0 mp0 -69.99 -25.36 63.57 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.506 -0.747 . . . . 0.0 109.319 179.53 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 71.2 mm-40 -60.03 -40.01 87.86 Favored 'General case' 0 C--N 1.303 -1.42 0 O-C-N 121.32 -0.863 . . . . 0.0 109.272 -179.298 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 54.2 t -65.91 -40.9 88.79 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.503 0 O-C-N 121.091 -1.005 . . . . 0.0 109.114 179.566 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 67.2 t -60.96 -44.44 98.09 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.48 0 O-C-N 121.215 -0.928 . . . . 0.0 109.472 -179.656 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 54' ' ' ASP . . . . . 0.404 ' C ' ' OD1' ' B' ' 54' ' ' ASP . 12.5 t0 -60.05 -43.7 95.18 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.182 -0.949 . . . . 0.0 109.421 -179.813 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 60.6 mttp -63.96 -40.02 95.46 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.051 -1.031 . . . . 0.0 109.78 -179.694 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 54.2 t -60.66 -40.5 84.92 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.525 0 O-C-N 121.239 -0.913 . . . . 0.0 109.376 -179.898 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 57' ' ' MET . . . . . . . . . . . . . 81.5 mtp -65.64 -40.21 92.25 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.376 -0.827 . . . . 0.0 110.004 -179.328 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -62.29 -43.52 98.63 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.152 -0.967 . . . . 0.0 109.755 -179.699 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 96.7 m -63.82 -50.1 70.23 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.281 -0.887 . . . . 0.0 109.92 -179.747 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 64.1 tp -63.16 -49.72 73.23 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.357 -0.839 . . . . 0.0 110.159 179.881 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 96.1 m-20 -80.56 108.53 14.28 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.38 -0.825 . . . . 0.0 110.112 -178.454 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 82.6 tt0 -67.67 -39.94 84.5 Favored 'General case' 0 C--N 1.301 -1.508 0 N-CA-C 108.629 -0.878 . . . . 0.0 108.629 179.081 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 63' ' ' ASP . . . . . 0.458 ' N ' ' OD1' ' B' ' 63' ' ' ASP . 18.3 p-10 -74.17 -50.19 20.35 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.46 -0.775 . . . . 0.0 109.416 179.544 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 82.34 53.0 3.78 Favored Glycine 0 N--CA 1.492 2.411 0 C-N-CA 120.154 -1.022 . . . . 0.0 110.633 179.514 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 39.1 p-10 -80.34 -5.72 56.83 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 120.952 -1.322 . . . . 0.0 109.282 179.603 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 73.06 18.91 79.41 Favored Glycine 0 N--CA 1.494 2.537 0 N-CA-C 110.28 -1.128 . . . . 0.0 110.28 179.215 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 93.1 mt-10 -135.32 148.82 49.59 Favored 'General case' 0 N--CA 1.498 1.933 0 O-C-N 121.242 -1.152 . . . . 0.0 108.855 -179.852 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 68' ' ' CYS . . . . . . . . . . . . . 3.7 m -109.12 108.27 18.87 Favored 'General case' 0 N--CA 1.501 2.108 0 O-C-N 121.366 -0.834 . . . . 0.0 109.765 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 95.0 m-20 -98.69 171.76 7.9 Favored 'General case' 0 N--CA 1.496 1.827 0 O-C-N 121.453 -0.78 . . . . 0.0 109.512 179.598 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 50.6 t80 -59.92 -40.38 88.64 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.221 -0.924 . . . . 0.0 109.077 179.389 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 63.0 tt0 -59.97 -40.73 90.12 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.234 -0.916 . . . . 0.0 109.25 -179.853 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 70.7 mt-10 -70.06 -35.93 74.59 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.214 -0.929 . . . . 0.0 110.231 -179.837 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 73' ' ' PHE . . . . . . . . . . . . . 69.3 t80 -60.0 -41.77 92.82 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.026 -1.046 . . . . 0.0 109.616 -179.459 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 74' ' ' MET . . . . . 0.477 ' SD ' ' O ' ' B' ' 74' ' ' MET . 0.0 OUTLIER -60.08 -39.98 87.94 Favored 'General case' 0 C--N 1.302 -1.487 0 O-C-N 121.26 -0.9 . . . . 0.0 108.593 179.382 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -60.09 -37.2 79.24 Favored 'General case' 0 N--CA 1.494 1.751 0 O-C-N 121.613 -0.679 . . . . 0.0 110.657 -179.684 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 44.1 t80 -60.07 -42.23 94.1 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 120.878 -1.139 . . . . 0.0 109.994 -178.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 77' ' ' VAL . . . . . . . . . . . . . 90.0 t -63.83 -41.73 93.51 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.55 0 O-C-N 121.021 -1.049 . . . . 0.0 109.808 -179.537 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 78' ' ' SER . . . . . . . . . . . . . 97.3 p -61.55 -39.61 91.71 Favored 'General case' 0 N--CA 1.494 1.754 0 O-C-N 121.305 -0.872 . . . . 0.0 110.184 -179.872 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 79' ' ' MET . . . . . . . . . . . . . 32.1 ttp -60.0 -39.97 87.61 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.386 -0.822 . . . . 0.0 110.159 -178.761 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 68.9 t -60.05 -41.06 85.06 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.655 0 O-C-N 121.069 -1.019 . . . . 0.0 109.803 -179.128 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 27.9 p -66.5 -39.96 88.97 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.144 -0.973 . . . . 0.0 110.239 -179.699 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 36.4 p -64.68 -39.97 94.59 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.18 -0.95 . . . . 0.0 110.27 -179.517 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -79.27 -14.33 59.1 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.097 -1.002 . . . . 0.0 109.657 -179.696 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 84' ' ' CYS . . . . . . . . . . . . . 11.9 t -57.35 156.63 7.45 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.28 -0.888 . . . . 0.0 110.085 -179.561 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 85' ' ' HIS . . . . . . . . . . . . . 16.1 p-80 -88.04 -145.09 0.14 Allowed 'General case' 0 N--CA 1.492 1.653 0 N-CA-C 108.865 -0.791 . . . . 0.0 108.865 179.535 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 53.2 tp10 -130.06 -24.17 2.66 Favored 'General case' 0 N--CA 1.503 2.195 0 O-C-N 120.907 -1.121 . . . . 0.0 110.712 -178.865 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 87' ' ' PHE . . . . . . . . . . . . . 12.9 m-85 -80.37 68.43 6.54 Favored 'General case' 0 N--CA 1.496 1.874 0 O-C-N 120.726 -1.234 . . . . 0.0 110.453 -179.127 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 2.8 t80 . . . . . 0 N--CA 1.495 1.78 0 O-C-N 121.119 -0.988 . . . . 0.0 109.13 178.701 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 5.2 t . . . . . 0 N--CA 1.492 1.637 0 CA-C-O 121.423 0.63 . . . . 0.0 109.427 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 87.0 tt0 -60.54 -39.93 89.68 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.4 -0.812 . . . . 0.0 110.04 -179.88 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . 0.535 ' O ' HD23 ' A' ' 3' ' ' LEU . 4.5 tt -55.73 -51.33 67.72 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.148 -0.97 . . . . 0.0 109.19 -178.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 85.0 tt0 -59.94 -43.93 94.68 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 120.914 -1.116 . . . . 0.0 109.031 179.212 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 58.2 tttp -61.37 -39.94 92.5 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.453 -0.78 . . . . 0.0 109.761 179.63 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -59.96 -42.62 94.47 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.236 -0.915 . . . . 0.0 110.251 -178.446 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 50.8 mtm -62.37 -40.05 95.16 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 120.732 -1.23 . . . . 0.0 109.162 179.477 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 61.6 t -68.55 -40.04 81.41 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.505 0 O-C-N 121.253 -0.904 . . . . 0.0 108.671 179.642 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -62.15 -39.95 94.36 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.516 -0.74 . . . . 0.0 110.09 -179.903 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.415 HD13 ' O ' ' A' ' 10' ' ' LEU . 0.1 OUTLIER -60.03 -43.54 95.23 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.081 -1.012 . . . . 0.0 108.925 -179.195 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 96.6 mt -69.48 -40.91 80.34 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.61 0 O-C-N 121.021 -1.049 . . . . 0.0 109.548 179.783 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . 0.403 ' OD1' ' C ' ' A' ' 12' ' ' ASP . 51.6 t0 -64.86 -50.03 68.23 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.195 -0.941 . . . . 0.0 110.427 -179.56 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 54.0 t -62.28 -40.66 88.61 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.488 0 O-C-N 121.108 -0.995 . . . . 0.0 109.776 -178.908 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . 0.414 ' O ' ' OG ' ' A' ' 18' ' ' SER . 64.6 t80 -60.05 -42.92 95.49 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.202 -0.936 . . . . 0.0 110.124 -179.655 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 2.3 t60 -60.04 -50.01 75.39 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.122 -0.986 . . . . 0.0 110.484 -178.931 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 27.9 mt-30 -67.16 -40.09 86.58 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 120.963 -1.086 . . . . 0.0 108.975 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 27.1 t80 -69.04 -32.54 72.11 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.448 -0.782 . . . . 0.0 109.664 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . 0.414 ' OG ' ' O ' ' A' ' 14' ' ' PHE . 52.8 m -60.0 -46.24 90.13 Favored 'General case' 0 C--N 1.3 -1.573 0 O-C-N 120.5 -1.375 . . . . 0.0 109.891 -179.582 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -83.59 20.28 12.08 Favored Glycine 0 N--CA 1.497 2.743 0 O-C-N 121.288 -0.883 . . . . 0.0 111.775 -179.106 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.01 -39.94 87.53 Favored 'General case' 0 N--CA 1.499 2.01 0 O-C-N 120.388 -1.654 . . . . 0.0 110.189 -178.898 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 6.6 tt0 -120.11 -158.6 0.75 Allowed 'General case' 0 N--CA 1.504 2.258 0 O-C-N 121.205 -0.934 . . . . 0.0 109.892 -179.245 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -60.03 -39.55 95.85 Favored Glycine 0 N--CA 1.493 2.439 0 N-CA-C 110.85 -0.9 . . . . 0.0 110.85 -179.032 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . 0.516 ' N ' ' OD1' ' A' ' 23' ' ' ASP . 18.2 p-10 -54.12 138.49 37.78 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 120.951 -1.323 . . . . 0.0 110.013 -179.174 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 87.1 tttt -89.96 -80.0 0.33 Allowed 'General case' 0 N--CA 1.495 1.818 0 O-C-N 121.647 -0.658 . . . . 0.0 111.446 -178.93 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 17.7 p80 -105.6 26.22 9.79 Favored 'General case' 0 N--CA 1.502 2.138 0 O-C-N 121.453 -0.779 . . . . 0.0 110.812 -178.183 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 15.7 ptmt -136.87 153.72 50.68 Favored 'General case' 0 N--CA 1.498 1.941 0 N-CA-C 108.16 -1.052 . . . . 0.0 108.16 179.094 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 83.6 mt -104.18 136.73 43.24 Favored 'General case' 0 N--CA 1.498 1.97 0 O-C-N 121.175 -0.953 . . . . 0.0 110.19 -178.469 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 31.6 ttmt -92.84 163.45 13.71 Favored 'General case' 0 N--CA 1.492 1.634 0 N-CA-C 108.661 -0.866 . . . . 0.0 108.661 179.747 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 66.9 mttm -59.96 -41.49 92.04 Favored 'General case' 0 C--N 1.302 -1.483 0 O-C-N 120.966 -1.084 . . . . 0.0 109.838 -179.422 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 69.1 m -60.88 -40.59 93.58 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.237 -0.914 . . . . 0.0 110.739 -179.28 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . 0.432 ' OE1' ' OD2' ' A' ' 23' ' ' ASP . 97.8 mt-10 -60.06 -40.08 88.26 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.084 -1.01 . . . . 0.0 110.274 -179.589 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 41.0 tp -59.92 -48.61 81.01 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 120.981 -1.074 . . . . 0.0 108.476 -179.447 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -59.96 -43.37 95.09 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.256 -0.902 . . . . 0.0 109.393 179.623 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 80.6 tt0 -63.27 -40.03 96.25 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.326 -0.859 . . . . 0.0 109.757 -179.613 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 28.3 tp -60.02 -43.2 95.43 Favored 'General case' 0 N--CA 1.489 1.501 0 N-CA-C 108.461 -0.94 . . . . 0.0 108.461 -179.601 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 94.7 mt -62.04 -44.69 99.3 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.554 0 O-C-N 121.319 -0.863 . . . . 0.0 109.64 179.603 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . 0.408 ' O ' ' C ' ' A' ' 38' ' ' ASN . 26.1 m120 -60.04 -40.07 88.11 Favored 'General case' 0 N--CA 1.495 1.776 0 O-C-N 121.403 -0.811 . . . . 0.0 111.257 -179.098 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . 0.408 ' C ' ' O ' ' A' ' 37' ' ' ASN . 18.9 m120 -41.86 -81.66 0.01 OUTLIER 'General case' 0 N--CA 1.498 1.96 0 O-C-N 121.21 -0.931 . . . . 0.0 110.766 -178.403 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 89.8 mt-10 -143.97 -1.28 0.98 Allowed 'General case' 0 N--CA 1.499 1.988 0 O-C-N 120.97 -1.081 . . . . 0.0 110.039 -179.666 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 10.5 mp -85.65 -6.63 59.12 Favored 'General case' 0 N--CA 1.494 1.755 0 O-C-N 120.976 -1.078 . . . . 0.0 108.992 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . 0.447 ' O ' ' O ' ' A' ' 44' ' ' LEU . 77.8 p -66.85 -40.0 87.76 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.201 -0.937 . . . . 0.0 109.415 179.478 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 68.3 m80 -62.22 -40.35 95.84 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.035 -1.041 . . . . 0.0 109.804 -179.777 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 29.9 t80 -70.0 -39.9 75.6 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.214 -0.929 . . . . 0.0 109.977 -179.628 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.447 ' O ' ' O ' ' A' ' 41' ' ' SER . 31.4 mt -99.5 132.73 44.64 Favored 'General case' 0 N--CA 1.499 1.982 0 O-C-N 121.258 -0.901 . . . . 0.0 110.17 -179.084 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . 0.408 ' HG2' ' H ' ' A' ' 46' ' ' GLU . 45.0 tt0 -89.53 -137.18 0.12 Allowed 'General case' 0 N--CA 1.491 1.593 0 N-CA-C 108.401 -0.963 . . . . 0.0 108.401 179.363 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . 0.408 ' H ' ' HG2' ' A' ' 45' ' ' GLU . 97.9 mt-10 46.05 -137.33 0.64 Allowed 'General case' 0 N--CA 1.493 1.706 0 O-C-N 120.957 -1.09 . . . . 0.0 109.967 179.279 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.407 ' C ' ' O ' ' A' ' 46' ' ' GLU . 23.8 mm 41.01 60.02 0.2 Allowed 'Isoleucine or valine' 0 N--CA 1.498 1.93 0 O-C-N 121.451 -0.78 . . . . 0.0 110.187 -179.672 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 9.8 mtpm? -102.47 -18.73 15.2 Favored 'General case' 0 N--CA 1.496 1.867 0 O-C-N 121.171 -0.956 . . . . 0.0 110.533 -179.808 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 74.1 mt-10 -137.76 159.13 42.83 Favored 'General case' 0 N--CA 1.503 2.186 0 O-C-N 121.048 -1.032 . . . . 0.0 110.819 -178.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 35.8 mt-30 -66.58 -40.02 88.72 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.751 -0.593 . . . . 0.0 110.284 -179.88 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 63.4 mm-40 -60.0 -39.42 85.71 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.43 -0.794 . . . . 0.0 110.036 -179.575 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.513 ' O ' HG23 ' A' ' 56' ' ' VAL . 53.1 t -59.95 -40.04 81.86 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.594 0 O-C-N 121.273 -0.892 . . . . 0.0 110.248 -178.322 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 58.2 t -60.68 -42.98 93.94 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.526 0 O-C-N 120.734 -1.229 . . . . 0.0 109.998 -179.71 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 98.4 m-20 -65.47 -41.7 93.04 Favored 'General case' 0 N--CA 1.495 1.811 0 O-C-N 120.944 -1.097 . . . . 0.0 110.849 -179.081 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 1.4 mptm? -69.35 -40.0 77.78 Favored 'General case' 0 N--CA 1.494 1.767 0 O-C-N 121.039 -1.038 . . . . 0.0 110.302 -179.44 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.513 HG23 ' O ' ' A' ' 52' ' ' VAL . 53.8 t -59.95 -42.61 90.04 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.617 0 O-C-N 121.127 -0.983 . . . . 0.0 110.864 -178.002 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 96.6 mtp -60.07 -42.44 94.56 Favored 'General case' 0 C--N 1.3 -1.562 0 O-C-N 120.861 -1.149 . . . . 0.0 110.357 -178.663 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 47.3 tt0 -63.96 -45.32 89.65 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 120.756 -1.215 . . . . 0.0 110.371 -179.524 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 94.2 m -69.38 -45.81 68.41 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 120.92 -1.113 . . . . 0.0 110.164 -179.34 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 3.8 tp -70.27 -35.93 74.09 Favored 'General case' 0 C--N 1.3 -1.564 0 O-C-N 121.304 -0.873 . . . . 0.0 110.33 -178.904 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . 0.497 ' CG ' ' H ' ' A' ' 64' ' ' GLY . 56.6 t0 -69.57 120.59 15.59 Favored 'General case' 0 N--CA 1.495 1.793 0 O-C-N 121.106 -0.996 . . . . 0.0 109.572 -179.268 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 76.6 mm-40 -67.75 -40.02 84.13 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.454 -0.779 . . . . 0.0 110.389 -179.357 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . 0.435 ' OD1' ' OD1' ' A' ' 61' ' ' ASP . 9.9 p-10 -95.6 -16.63 21.97 Favored 'General case' 0 N--CA 1.499 2.011 0 O-C-N 120.914 -1.116 . . . . 0.0 110.615 -179.298 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . 0.497 ' H ' ' CG ' ' A' ' 61' ' ' ASP . . . 46.91 57.3 6.96 Favored Glycine 0 N--CA 1.493 2.479 0 N-CA-C 109.791 -1.324 . . . . 0.0 109.791 179.63 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . 0.448 ' OD1' ' O ' ' A' ' 67' ' ' GLU . 34.6 p-10 -89.96 -0.84 57.8 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.167 -1.196 . . . . 0.0 109.734 -179.697 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 89.01 -8.7 79.22 Favored Glycine 0 N--CA 1.494 2.566 0 N-CA-C 109.517 -1.433 . . . . 0.0 109.517 179.796 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . 0.448 ' O ' ' OD1' ' A' ' 65' ' ' ASP . 31.3 mp0 -132.79 139.48 47.55 Favored 'General case' 0 N--CA 1.496 1.845 0 O-C-N 121.434 -1.039 . . . . 0.0 108.509 179.758 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 10.8 t -92.77 112.57 24.57 Favored 'General case' 0 N--CA 1.494 1.761 0 O-C-N 120.906 -1.122 . . . . 0.0 109.093 179.645 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 92.3 m-20 -88.24 169.66 11.67 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.467 -0.771 . . . . 0.0 109.283 -179.769 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 52.6 t80 -59.96 -42.42 94.06 Favored 'General case' 0 N--CA 1.487 1.418 0 O-C-N 121.186 -0.946 . . . . 0.0 108.696 -179.738 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 60.0 tt0 -59.95 -43.93 94.71 Favored 'General case' 0 N--CA 1.489 1.488 0 N-CA-C 108.284 -1.006 . . . . 0.0 108.284 179.047 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . 0.43 ' OE2' ' OD2' ' A' ' 63' ' ' ASP . 67.7 mt-10 -66.76 -39.76 88.0 Favored 'General case' 0 N--CA 1.489 1.49 0 N-CA-C 108.584 -0.895 . . . . 0.0 108.584 179.267 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 64.2 t80 -60.11 -38.98 84.62 Favored 'General case' 0 N--CA 1.487 1.378 0 N-CA-C 108.426 -0.953 . . . . 0.0 108.426 179.816 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -59.94 -39.95 87.3 Favored 'General case' 0 N--CA 1.488 1.43 0 N-CA-C 108.05 -1.093 . . . . 0.0 108.05 179.765 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -61.51 -36.9 81.82 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.325 -0.859 . . . . 0.0 108.935 178.725 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 27.4 t80 -60.04 -49.15 78.78 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.688 -0.633 . . . . 0.0 109.965 -179.038 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 58.4 t -69.8 -41.63 79.86 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.616 0 O-C-N 120.906 -1.122 . . . . 0.0 110.386 -179.206 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 47.5 t -63.14 -50.64 69.63 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 120.986 -1.071 . . . . 0.0 110.89 -178.841 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 22.5 ttt -61.18 -42.21 98.17 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 120.957 -1.089 . . . . 0.0 109.947 -179.306 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 42.7 t -65.96 -49.11 79.12 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.587 0 O-C-N 121.312 -0.867 . . . . 0.0 110.17 -179.846 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 93.8 m -67.14 -46.69 73.32 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.144 -0.972 . . . . 0.0 110.263 -179.136 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 94.4 m -64.51 -39.92 94.68 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.287 -0.883 . . . . 0.0 109.807 -179.741 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . 0.542 ' O ' ' ND1' ' A' ' 85' ' ' HIS . . . -57.69 -22.23 44.92 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.374 -0.829 . . . . 0.0 110.992 -178.872 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 84' ' ' CYS . . . . . 0.567 ' O ' ' CG ' ' A' ' 85' ' ' HIS . 12.8 p -71.51 -41.83 68.76 Favored 'General case' 0 N--CA 1.494 1.746 0 O-C-N 120.816 -1.177 . . . . 0.0 109.878 -179.696 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 85' ' ' HIS . . . . . 0.567 ' CG ' ' O ' ' A' ' 84' ' ' CYS . 41.4 p-80 44.73 -176.26 0.01 OUTLIER 'General case' 0 N--CA 1.499 2.019 0 CA-C-O 121.498 0.666 . . . . 0.0 110.621 -179.561 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . 0.451 ' O ' ' O ' ' A' ' 85' ' ' HIS . 49.8 mm-40 43.27 -168.29 0.01 OUTLIER 'General case' 0 N--CA 1.496 1.837 0 O-C-N 121.447 -0.783 . . . . 0.0 110.171 -179.627 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 7.4 m-85 -99.97 129.82 46.07 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.433 -0.792 . . . . 0.0 109.157 -179.825 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 46.5 t80 . . . . . 0 N--CA 1.493 1.705 0 O-C-N 121.073 -1.017 . . . . 0.0 109.122 179.814 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 6.6 t . . . . . 0 N--CA 1.493 1.676 0 N-CA-C 109.347 -0.612 . . . . 0.0 109.347 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 87.5 tt0 -60.52 -39.94 89.68 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.425 -0.797 . . . . 0.0 110.046 -179.912 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 3' ' ' LEU . . . . . 0.503 ' O ' HD23 ' B' ' 3' ' ' LEU . 4.4 tt -55.49 -51.94 65.33 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.113 -0.992 . . . . 0.0 109.164 -179.1 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 85.8 tt0 -59.96 -43.65 94.92 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.016 -1.053 . . . . 0.0 108.953 179.512 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 59.4 tttp -61.37 -39.96 92.56 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.378 -0.827 . . . . 0.0 109.755 179.438 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -60.0 -42.12 93.56 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.221 -0.925 . . . . 0.0 110.307 -178.413 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 7' ' ' MET . . . . . . . . . . . . . 47.4 mtm -62.81 -40.11 96.37 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 120.777 -1.202 . . . . 0.0 109.097 179.678 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 56.2 t -68.32 -40.01 81.84 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.507 0 O-C-N 121.21 -0.931 . . . . 0.0 108.727 179.571 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.92 -39.98 93.91 Favored 'General case' 0 C--N 1.303 -1.434 0 O-C-N 121.576 -0.702 . . . . 0.0 110.21 179.888 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 10' ' ' LEU . . . . . 0.422 HD13 ' O ' ' B' ' 10' ' ' LEU . 0.2 OUTLIER -60.05 -44.23 94.84 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.164 -0.96 . . . . 0.0 108.784 -179.018 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 96.5 mt -68.79 -41.21 82.21 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.553 0 O-C-N 121.16 -0.962 . . . . 0.0 109.705 179.894 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 12' ' ' ASP . . . . . 0.418 ' C ' ' OD1' ' B' ' 12' ' ' ASP . 51.4 t0 -64.94 -50.02 68.08 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.23 -0.919 . . . . 0.0 110.379 -179.458 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 53.5 t -62.07 -40.77 88.63 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.505 0 O-C-N 121.14 -0.975 . . . . 0.0 109.72 -179.002 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 14' ' ' PHE . . . . . . . . . . . . . 64.7 t80 -60.01 -43.18 95.4 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.219 -0.926 . . . . 0.0 110.166 -179.642 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 2.4 t60 -59.95 -50.03 75.36 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.046 -1.034 . . . . 0.0 110.459 -178.912 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 27.2 mt-30 -67.11 -39.96 86.79 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 120.843 -1.16 . . . . 0.0 108.869 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 27.1 t80 -69.06 -32.51 72.03 Favored 'General case' 0 N--CA 1.488 1.445 0 O-C-N 121.526 -0.734 . . . . 0.0 109.72 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 48.3 m -60.18 -46.2 90.5 Favored 'General case' 0 C--N 1.3 -1.566 0 O-C-N 120.459 -1.4 . . . . 0.0 109.746 -179.555 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -83.43 20.31 11.47 Favored Glycine 0 N--CA 1.497 2.766 0 O-C-N 121.312 -0.867 . . . . 0.0 111.824 -179.068 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.03 -40.04 87.99 Favored 'General case' 0 N--CA 1.5 2.037 0 O-C-N 120.411 -1.641 . . . . 0.0 110.18 -178.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 6.4 tt0 -120.02 -158.67 0.75 Allowed 'General case' 0 N--CA 1.505 2.297 0 O-C-N 121.34 -0.85 . . . . 0.0 109.844 -179.267 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . -59.96 -39.72 95.98 Favored Glycine 0 N--CA 1.492 2.374 0 N-CA-C 110.848 -0.901 . . . . 0.0 110.848 -179.048 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 23' ' ' ASP . . . . . 0.533 ' N ' ' OD1' ' B' ' 23' ' ' ASP . 18.1 p-10 -53.91 138.84 35.59 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 120.923 -1.34 . . . . 0.0 109.962 -179.113 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 87.3 tttt -90.21 -80.04 0.33 Allowed 'General case' 0 N--CA 1.495 1.818 0 O-C-N 121.682 -0.636 . . . . 0.0 111.386 -178.91 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 25' ' ' HIS . . . . . . . . . . . . . 18.1 p80 -105.58 25.91 10.17 Favored 'General case' 0 N--CA 1.502 2.156 0 O-C-N 121.371 -0.83 . . . . 0.0 110.833 -178.092 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 16.1 ptmt -136.64 153.38 50.94 Favored 'General case' 0 N--CA 1.497 1.882 0 N-CA-C 108.195 -1.039 . . . . 0.0 108.195 179.183 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 82.8 mt -103.91 136.92 42.66 Favored 'General case' 0 N--CA 1.499 1.985 0 O-C-N 121.225 -0.922 . . . . 0.0 110.176 -178.462 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 31.7 ttmt -92.92 163.35 13.71 Favored 'General case' 0 N--CA 1.491 1.592 0 N-CA-C 108.666 -0.865 . . . . 0.0 108.666 179.775 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 66.7 mttm -60.04 -41.32 92.0 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.024 -1.047 . . . . 0.0 109.832 -179.598 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 72.0 m -60.88 -40.52 93.34 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.25 -0.906 . . . . 0.0 110.726 -179.299 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 31' ' ' GLU . . . . . 0.428 ' OE1' ' OD2' ' B' ' 23' ' ' ASP . 97.6 mt-10 -60.16 -39.96 88.25 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.097 -1.002 . . . . 0.0 110.337 -179.604 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 42.7 tp -59.97 -48.51 81.4 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.029 -1.045 . . . . 0.0 108.606 -179.576 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 87.9 tttt -60.08 -43.43 95.51 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.256 -0.903 . . . . 0.0 109.403 179.673 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 85.1 tt0 -63.24 -39.93 96.01 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.323 -0.861 . . . . 0.0 109.833 -179.701 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 27.6 tp -60.08 -43.26 95.63 Favored 'General case' 0 N--CA 1.489 1.523 0 N-CA-C 108.462 -0.94 . . . . 0.0 108.462 -179.769 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 89.8 mt -61.98 -44.62 99.17 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.572 0 O-C-N 121.354 -0.841 . . . . 0.0 109.559 179.713 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 37' ' ' ASN . . . . . 0.414 ' O ' ' C ' ' B' ' 38' ' ' ASN . 25.7 m120 -60.06 -39.93 87.71 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 121.519 -0.738 . . . . 0.0 111.325 -179.053 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 38' ' ' ASN . . . . . 0.414 ' C ' ' O ' ' B' ' 37' ' ' ASN . 18.1 m120 -41.96 -81.62 0.01 OUTLIER 'General case' 0 N--CA 1.496 1.842 0 O-C-N 121.212 -0.93 . . . . 0.0 110.828 -178.535 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 89.0 mt-10 -144.13 -1.19 0.96 Allowed 'General case' 0 N--CA 1.499 1.986 0 O-C-N 120.949 -1.094 . . . . 0.0 110.103 -179.737 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 10.3 mp -85.7 -6.76 59.09 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.028 -1.045 . . . . 0.0 108.986 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 41' ' ' SER . . . . . 0.447 ' O ' ' O ' ' B' ' 44' ' ' LEU . 77.3 p -66.78 -40.07 88.04 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.143 -0.973 . . . . 0.0 109.37 179.504 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 42' ' ' HIS . . . . . . . . . . . . . 68.1 m80 -62.06 -40.5 96.01 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.064 -1.023 . . . . 0.0 109.808 -179.709 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 30.5 t80 -70.03 -39.94 75.47 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.158 -0.964 . . . . 0.0 109.978 -179.608 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 44' ' ' LEU . . . . . 0.447 ' O ' ' O ' ' B' ' 41' ' ' SER . 33.3 mt -99.56 132.66 44.75 Favored 'General case' 0 N--CA 1.499 2.013 0 O-C-N 121.205 -0.935 . . . . 0.0 110.189 -179.148 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 44.4 tt0 -89.3 -137.02 0.12 Allowed 'General case' 0 N--CA 1.491 1.596 0 N-CA-C 108.553 -0.906 . . . . 0.0 108.553 179.479 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 46' ' ' GLU . . . . . 0.408 ' O ' ' C ' ' B' ' 47' ' ' ILE . 97.6 mt-10 45.71 -136.97 0.62 Allowed 'General case' 0 N--CA 1.494 1.731 0 O-C-N 121.102 -0.999 . . . . 0.0 110.063 179.29 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 47' ' ' ILE . . . . . 0.408 ' C ' ' O ' ' B' ' 46' ' ' GLU . 23.5 mm 40.96 59.94 0.2 Allowed 'Isoleucine or valine' 0 N--CA 1.499 1.995 0 O-C-N 121.487 -0.758 . . . . 0.0 110.124 -179.732 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 10.0 mtpm? -102.44 -18.67 15.25 Favored 'General case' 0 N--CA 1.496 1.864 0 O-C-N 121.204 -0.935 . . . . 0.0 110.505 -179.684 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 75.4 mt-10 -137.82 159.45 41.95 Favored 'General case' 0 N--CA 1.503 2.221 0 O-C-N 120.997 -1.065 . . . . 0.0 110.779 -179.102 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 35.8 mt-30 -66.71 -40.01 88.27 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.687 -0.633 . . . . 0.0 110.324 -179.78 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 63.6 mm-40 -59.98 -39.51 85.93 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.271 -0.893 . . . . 0.0 110.047 -179.628 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 52' ' ' VAL . . . . . 0.501 ' O ' HG23 ' B' ' 56' ' ' VAL . 54.2 t -59.98 -40.11 82.11 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.627 0 O-C-N 121.28 -0.887 . . . . 0.0 110.239 -178.217 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 53.4 t -60.8 -42.89 94.06 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.532 0 O-C-N 120.729 -1.232 . . . . 0.0 110.038 -179.745 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 98.4 m-20 -65.33 -41.74 93.63 Favored 'General case' 0 N--CA 1.496 1.845 0 O-C-N 120.972 -1.08 . . . . 0.0 110.864 -179.145 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 1.4 mptm? -69.34 -39.94 77.86 Favored 'General case' 0 N--CA 1.495 1.779 0 O-C-N 121.024 -1.047 . . . . 0.0 110.31 -179.437 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 56' ' ' VAL . . . . . 0.501 HG23 ' O ' ' B' ' 52' ' ' VAL . 53.7 t -60.07 -42.64 90.59 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.646 0 O-C-N 121.154 -0.966 . . . . 0.0 110.767 -177.947 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 57' ' ' MET . . . . . . . . . . . . . 96.8 mtp -60.08 -42.25 94.21 Favored 'General case' 0 C--N 1.301 -1.511 0 O-C-N 120.902 -1.124 . . . . 0.0 110.316 -178.598 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 46.6 tt0 -64.14 -45.4 88.67 Favored 'General case' 0 N--CA 1.493 1.675 0 O-C-N 120.758 -1.214 . . . . 0.0 110.311 -179.562 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 94.2 m -69.14 -46.09 68.47 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.053 -1.03 . . . . 0.0 110.142 -179.364 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 3.7 tp -69.92 -36.35 75.29 Favored 'General case' 0 C--N 1.3 -1.546 0 O-C-N 121.322 -0.861 . . . . 0.0 110.297 -178.894 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 61' ' ' ASP . . . . . 0.492 ' CG ' ' H ' ' B' ' 64' ' ' GLY . 57.0 t0 -69.36 120.49 15.25 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 120.979 -1.075 . . . . 0.0 109.67 -179.132 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 76.7 mm-40 -67.69 -39.98 84.38 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.474 -0.766 . . . . 0.0 110.407 -179.326 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 63' ' ' ASP . . . . . 0.431 ' OD1' ' OD1' ' B' ' 61' ' ' ASP . 10.0 p-10 -95.67 -16.56 21.94 Favored 'General case' 0 N--CA 1.5 2.025 0 O-C-N 120.996 -1.065 . . . . 0.0 110.547 -179.168 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 64' ' ' GLY . . . . . 0.492 ' H ' ' CG ' ' B' ' 61' ' ' ASP . . . 46.86 57.28 6.94 Favored Glycine 0 N--CA 1.494 2.528 0 N-CA-C 109.835 -1.306 . . . . 0.0 109.835 179.649 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 65' ' ' ASP . . . . . 0.446 ' OD1' ' O ' ' B' ' 67' ' ' GLU . 34.6 p-10 -89.99 -0.72 57.73 Favored 'General case' 0 N--CA 1.496 1.827 0 O-C-N 121.23 -1.159 . . . . 0.0 109.723 -179.71 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 88.96 -9.07 78.16 Favored Glycine 0 N--CA 1.495 2.61 0 N-CA-C 109.532 -1.427 . . . . 0.0 109.532 179.774 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 67' ' ' GLU . . . . . 0.446 ' O ' ' OD1' ' B' ' 65' ' ' ASP . 31.3 mp0 -132.46 139.64 48.07 Favored 'General case' 0 N--CA 1.496 1.861 0 O-C-N 121.531 -0.981 . . . . 0.0 108.504 179.889 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 68' ' ' CYS . . . . . . . . . . . . . 11.2 t -92.85 112.63 24.66 Favored 'General case' 0 N--CA 1.495 1.797 0 O-C-N 120.893 -1.129 . . . . 0.0 109.05 179.632 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 92.8 m-20 -88.24 169.27 12.02 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.472 -0.767 . . . . 0.0 109.274 -179.747 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 51.3 t80 -60.03 -42.29 94.08 Favored 'General case' 0 N--CA 1.487 1.383 0 O-C-N 121.203 -0.935 . . . . 0.0 108.57 -179.691 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 59.8 tt0 -59.99 -43.77 94.94 Favored 'General case' 0 N--CA 1.49 1.534 0 N-CA-C 108.29 -1.004 . . . . 0.0 108.29 178.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 72' ' ' GLU . . . . . 0.426 ' OE2' ' OD2' ' B' ' 63' ' ' ASP . 69.0 mt-10 -66.77 -39.89 88.02 Favored 'General case' 0 N--CA 1.488 1.463 0 N-CA-C 108.608 -0.886 . . . . 0.0 108.608 179.175 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 73' ' ' PHE . . . . . . . . . . . . . 64.1 t80 -59.91 -38.99 83.9 Favored 'General case' 0 N--CA 1.487 1.395 0 N-CA-C 108.396 -0.964 . . . . 0.0 108.396 179.836 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 74' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -60.0 -40.03 87.8 Favored 'General case' 0 C--N 1.303 -1.438 0 N-CA-C 108.033 -1.099 . . . . 0.0 108.033 179.749 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -61.45 -37.03 82.06 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.383 -0.823 . . . . 0.0 109.022 178.748 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 28.2 t80 -60.03 -49.04 79.22 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.511 -0.743 . . . . 0.0 110.044 -179.047 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 77' ' ' VAL . . . . . . . . . . . . . 62.6 t -69.65 -41.63 80.22 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.613 0 O-C-N 120.974 -1.079 . . . . 0.0 110.421 -179.319 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 78' ' ' SER . . . . . . . . . . . . . 48.3 t -63.42 -50.58 69.23 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 120.963 -1.086 . . . . 0.0 110.936 -178.858 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 79' ' ' MET . . . . . . . . . . . . . 22.4 ttt -61.01 -42.33 98.25 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 120.997 -1.064 . . . . 0.0 109.886 -179.399 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 42.6 t -65.94 -48.91 80.23 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.642 0 O-C-N 121.41 -0.806 . . . . 0.0 110.123 -179.768 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 81' ' ' THR . . . . . 0.436 ' O ' ' SG ' ' B' ' 84' ' ' CYS . 93.8 m -67.44 -46.71 72.29 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.109 -0.994 . . . . 0.0 110.115 -178.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 94.4 m -64.44 -39.97 94.84 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.147 -0.97 . . . . 0.0 109.865 -179.701 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 83' ' ' ALA . . . . . 0.547 ' O ' ' ND1' ' B' ' 85' ' ' HIS . . . -57.76 -22.04 44.72 Favored 'General case' 0 N--CA 1.494 1.725 0 O-C-N 121.42 -0.8 . . . . 0.0 110.938 -178.804 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 84' ' ' CYS . . . . . 0.575 ' O ' ' CG ' ' B' ' 85' ' ' HIS . 12.6 p -71.67 -41.77 68.31 Favored 'General case' 0 N--CA 1.494 1.767 0 O-C-N 120.809 -1.182 . . . . 0.0 109.794 -179.632 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 85' ' ' HIS . . . . . 0.575 ' CG ' ' O ' ' B' ' 84' ' ' CYS . 41.6 p-80 44.6 -176.23 0.01 OUTLIER 'General case' 0 N--CA 1.498 1.956 0 CA-C-O 121.469 0.652 . . . . 0.0 110.635 -179.576 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 86' ' ' GLU . . . . . 0.442 ' O ' ' O ' ' B' ' 85' ' ' HIS . 49.9 mm-40 43.35 -168.4 0.01 OUTLIER 'General case' 0 N--CA 1.494 1.771 0 O-C-N 121.387 -0.821 . . . . 0.0 110.141 -179.631 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 87' ' ' PHE . . . . . . . . . . . . . 7.1 m-85 -99.93 129.72 46.03 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.422 -0.799 . . . . 0.0 109.218 -179.858 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 45.4 t80 . . . . . 0 N--CA 1.493 1.703 0 O-C-N 121.119 -0.988 . . . . 0.0 109.155 179.877 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 28.5 t . . . . . 0 N--CA 1.487 1.396 0 CA-C-O 121.45 0.643 . . . . 0.0 109.368 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 47.3 mt-10 -61.99 -34.98 77.17 Favored 'General case' 0 N--CA 1.49 1.555 0 N-CA-C 108.915 -0.772 . . . . 0.0 108.915 -179.93 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . 0.555 HD13 ' O ' ' A' ' 3' ' ' LEU . 0.3 OUTLIER -60.27 -44.64 95.14 Favored 'General case' 0 N--CA 1.49 1.542 0 N-CA-C 108.11 -1.07 . . . . 0.0 108.11 179.649 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 87.5 tt0 -61.42 -40.03 92.92 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.071 -1.018 . . . . 0.0 109.25 179.289 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 57.6 mmtt -60.17 -39.15 85.42 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.346 -0.846 . . . . 0.0 109.891 179.68 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -59.86 -48.65 80.84 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.245 -0.909 . . . . 0.0 110.02 -178.599 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 95.4 mtp -65.31 -40.35 93.67 Favored 'General case' 0 C--N 1.302 -1.494 0 O-C-N 121.043 -1.036 . . . . 0.0 109.745 -179.585 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 79.2 t -68.24 -49.08 70.33 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.523 0 O-C-N 121.278 -0.889 . . . . 0.0 109.921 -179.7 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -62.39 -41.33 98.58 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.322 -0.861 . . . . 0.0 110.647 -179.267 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 8.7 tt -60.24 -40.62 90.87 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.043 -1.036 . . . . 0.0 109.346 -179.362 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 96.8 mt -67.54 -40.26 83.96 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.482 0 O-C-N 121.285 -0.885 . . . . 0.0 110.113 -179.42 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 97.4 m-20 -65.09 -40.55 94.78 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.002 -1.061 . . . . 0.0 109.727 -179.557 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 57.7 t -67.5 -42.52 87.1 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.902 0 O-C-N 120.915 -1.115 . . . . 0.0 110.43 -179.699 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 74.9 t80 -60.69 -41.66 95.59 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.082 -1.011 . . . . 0.0 109.97 -179.783 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 34.2 m170 -66.16 -38.45 88.13 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.136 -0.978 . . . . 0.0 110.105 179.653 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 63.3 tt0 -60.12 -55.56 32.4 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.104 -0.997 . . . . 0.0 110.733 -178.376 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 73.7 m-85 -71.51 -39.03 71.05 Favored 'General case' 0 C--N 1.3 -1.584 0 O-C-N 120.821 -1.175 . . . . 0.0 110.799 -179.3 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . 0.451 ' O ' ' O ' ' A' ' 23' ' ' ASP . 51.7 p -71.35 -42.19 68.82 Favored 'General case' 0 N--CA 1.489 1.475 0 O-C-N 120.962 -1.086 . . . . 0.0 110.468 -178.893 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -67.85 0.92 8.9 Favored Glycine 0 N--CA 1.495 2.625 0 N-CA-C 109.967 -1.253 . . . . 0.0 109.967 -179.523 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . 0.49 HH11 ' HG2' ' A' ' 20' ' ' ARG . 7.4 ttt-85 -61.11 -39.59 90.55 Favored 'General case' 0 C--N 1.299 -1.605 0 O-C-N 121.415 -1.05 . . . . 0.0 109.679 179.64 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.476 ' C ' ' H ' ' A' ' 23' ' ' ASP . 37.2 mt-10 -117.9 49.26 1.26 Allowed 'General case' 0 N--CA 1.503 2.21 0 O-C-N 121.601 -0.687 . . . . 0.0 110.655 -178.504 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 59.68 -2.06 0.42 Allowed Glycine 0 N--CA 1.488 2.157 0 C-N-CA 119.674 -1.25 . . . . 0.0 110.363 178.784 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . 0.476 ' H ' ' C ' ' A' ' 21' ' ' GLU . 77.7 m-20 -93.63 96.49 9.87 Favored 'General case' 0 N--CA 1.494 1.736 0 O-C-N 120.813 -1.404 . . . . 0.0 108.769 -179.802 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -96.2 -36.23 11.01 Favored 'General case' 0 N--CA 1.494 1.751 0 O-C-N 121.159 -0.963 . . . . 0.0 110.049 -179.506 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 76.7 m80 -99.66 1.18 43.26 Favored 'General case' 0 N--CA 1.498 1.975 0 O-C-N 121.23 -0.919 . . . . 0.0 110.601 -179.112 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -128.23 144.76 51.15 Favored 'General case' 0 N--CA 1.499 1.994 0 O-C-N 121.278 -0.889 . . . . 0.0 109.19 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 44.2 tp -113.25 133.32 55.15 Favored 'General case' 0 N--CA 1.497 1.878 0 N-CA-C 108.263 -1.014 . . . . 0.0 108.263 179.856 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 40.3 tttm -96.2 152.33 18.66 Favored 'General case' 0 N--CA 1.494 1.756 0 O-C-N 121.311 -0.868 . . . . 0.0 110.369 -178.894 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.35 -40.0 89.16 Favored 'General case' 0 N--CA 1.494 1.773 0 CA-C-O 121.361 0.601 . . . . 0.0 110.352 -179.692 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 78.2 p -59.91 -39.94 87.12 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.259 -0.901 . . . . 0.0 109.571 -179.112 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 90.8 mt-10 -67.66 -30.36 69.89 Favored 'General case' 0 N--CA 1.487 1.421 0 O-C-N 121.191 -0.943 . . . . 0.0 109.954 179.741 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.551 ' O ' HD23 ' A' ' 32' ' ' LEU . 3.7 tt -59.87 -50.11 75.05 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 120.947 -1.095 . . . . 0.0 109.612 -179.307 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 8.0 ttpm? -60.21 -41.3 92.71 Favored 'General case' 0 N--CA 1.497 1.878 0 O-C-N 120.437 -1.414 . . . . 0.0 110.139 -179.434 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 80.7 mm-40 -63.04 -39.82 95.87 Favored 'General case' 0 C--N 1.299 -1.628 0 O-C-N 121.048 -1.033 . . . . 0.0 109.87 179.902 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 6.3 tt -60.04 -45.86 91.43 Favored 'General case' 0 N--CA 1.488 1.447 0 O-C-N 121.281 -0.887 . . . . 0.0 109.668 -179.647 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 96.7 mt -60.36 -42.34 90.48 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.524 0 O-C-N 121.376 -0.827 . . . . 0.0 109.549 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 41.4 t30 -60.99 -39.09 88.36 Favored 'General case' 0 N--CA 1.496 1.859 0 O-C-N 121.453 -0.779 . . . . 0.0 110.145 179.492 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . 0.473 ' ND2' ' OE1' ' A' ' 39' ' ' GLU . 56.3 t30 -43.78 -90.74 0.0 OUTLIER 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.219 -0.926 . . . . 0.0 110.721 -178.807 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . 0.473 ' OE1' ' ND2' ' A' ' 38' ' ' ASN . 8.5 mp0 -144.21 43.87 1.43 Allowed 'General case' 0 N--CA 1.5 2.048 0 O-C-N 120.845 -1.159 . . . . 0.0 109.945 -179.503 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 3.4 tp -130.75 10.67 5.13 Favored 'General case' 0 N--CA 1.505 2.301 0 O-C-N 120.905 -1.122 . . . . 0.0 109.605 -179.584 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . 0.476 ' O ' ' O ' ' A' ' 44' ' ' LEU . 71.0 m -70.06 -27.02 64.29 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.389 -0.819 . . . . 0.0 109.402 179.836 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 72.4 m80 -61.36 -39.72 91.67 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 120.908 -1.12 . . . . 0.0 109.583 -179.827 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 81.4 m-85 -69.79 -36.93 76.12 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.163 -0.961 . . . . 0.0 110.515 -179.396 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.476 ' O ' ' O ' ' A' ' 41' ' ' SER . 6.7 mp -105.22 138.65 41.09 Favored 'General case' 0 N--CA 1.506 2.353 0 O-C-N 121.006 -1.059 . . . . 0.0 109.833 -179.879 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 88.3 tt0 -143.16 75.51 1.48 Allowed 'General case' 0 N--CA 1.498 1.945 0 O-C-N 121.19 -0.944 . . . . 0.0 108.823 179.102 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -172.81 0.12 0.01 OUTLIER 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.139 -0.976 . . . . 0.0 109.341 -179.685 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 86.2 mt -95.7 122.23 46.99 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.063 0 O-C-N 121.295 -0.878 . . . . 0.0 110.104 -179.602 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 54.0 mttm -127.91 -63.22 1.03 Allowed 'General case' 0 N--CA 1.504 2.252 0 O-C-N 121.426 -0.796 . . . . 0.0 109.989 179.677 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 49.0 tp10 -95.43 153.68 17.57 Favored 'General case' 0 N--CA 1.495 1.817 0 O-C-N 121.728 -0.608 . . . . 0.0 109.883 -178.785 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . 0.413 ' CD ' ' H ' ' A' ' 50' ' ' GLN . 28.6 mp0 -60.04 -33.3 71.85 Favored 'General case' 0 N--CA 1.498 1.936 0 O-C-N 121.288 -0.883 . . . . 0.0 109.477 -179.557 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 76.2 mm-40 -59.43 -38.92 81.89 Favored 'General case' 0 C--N 1.3 -1.552 0 O-C-N 121.306 -0.871 . . . . 0.0 109.831 -179.158 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 51.4 t -60.16 -41.86 88.16 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.718 0 O-C-N 120.994 -1.066 . . . . 0.0 109.192 179.549 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 52.9 t -60.89 -41.14 87.72 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.556 0 O-C-N 121.223 -0.923 . . . . 0.0 109.596 179.369 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 67.3 t0 -60.61 -45.44 94.03 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.282 -0.886 . . . . 0.0 110.142 -179.356 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 53.5 tptt -59.82 -45.78 91.3 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.057 -1.027 . . . . 0.0 108.603 -179.496 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 54.4 t -61.74 -39.94 85.1 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.647 0 O-C-N 121.528 -0.732 . . . . 0.0 109.78 179.2 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' MET . . . . . 0.437 ' SD ' ' OD1' ' A' ' 61' ' ' ASP . 0.0 OUTLIER -59.29 -40.08 85.0 Favored 'General case' 0 C--N 1.3 -1.563 0 O-C-N 121.281 -0.887 . . . . 0.0 109.653 -178.449 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 53.0 tp10 -61.69 -44.93 95.99 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.032 -1.043 . . . . 0.0 109.594 179.653 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 94.4 m -63.68 -40.38 96.68 Favored 'General case' 0 N--CA 1.5 2.072 0 O-C-N 121.08 -1.013 . . . . 0.0 110.908 -179.042 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -67.41 -40.26 85.55 Favored 'General case' 0 N--CA 1.496 1.848 0 O-C-N 121.173 -0.955 . . . . 0.0 110.571 -178.348 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . 0.437 ' OD1' ' SD ' ' A' ' 57' ' ' MET . 1.1 m-20 -76.7 117.35 18.23 Favored 'General case' 0 C--N 1.3 -1.559 0 O-C-N 121.073 -1.017 . . . . 0.0 109.217 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 64.5 mm-40 -66.87 -40.3 87.8 Favored 'General case' 0 N--CA 1.495 1.811 0 O-C-N 121.336 -0.853 . . . . 0.0 110.579 -178.894 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . 0.44 ' OD2' ' OD2' ' A' ' 65' ' ' ASP . 28.3 p-10 -100.84 0.81 39.29 Favored 'General case' 0 N--CA 1.5 2.027 0 O-C-N 121.262 -0.899 . . . . 0.0 110.566 -179.238 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 57.2 51.5 57.16 Favored Glycine 0 N--CA 1.493 2.49 0 N-CA-C 109.929 -1.269 . . . . 0.0 109.929 179.863 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . 0.44 ' OD2' ' OD2' ' A' ' 63' ' ' ASP . 96.8 m-20 -71.92 -20.62 61.74 Favored 'General case' 0 N--CA 1.494 1.739 0 O-C-N 121.284 -1.127 . . . . 0.0 110.226 -179.79 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 89.56 -7.87 81.01 Favored Glycine 0 N--CA 1.493 2.437 0 N-CA-C 109.61 -1.396 . . . . 0.0 109.61 -179.93 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 86.1 tt0 -136.29 143.13 44.04 Favored 'General case' 0 N--CA 1.498 1.955 0 O-C-N 121.312 -1.11 . . . . 0.0 108.471 179.339 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 2.9 p -98.52 118.48 35.31 Favored 'General case' 0 N--CA 1.494 1.748 0 O-C-N 121.611 -0.681 . . . . 0.0 110.164 -178.89 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . 0.411 ' C ' ' OD1' ' A' ' 69' ' ' ASP . 39.0 p-10 -93.44 177.54 6.0 Favored 'General case' 0 N--CA 1.5 2.027 0 O-C-N 121.243 -0.91 . . . . 0.0 109.663 179.805 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 66.0 t80 -59.85 -41.44 91.45 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.34 -0.85 . . . . 0.0 110.244 -179.564 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 7.2 tt0 -60.17 -44.46 95.02 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 121.018 -1.051 . . . . 0.0 110.178 179.872 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -70.3 -29.83 66.67 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.219 -0.926 . . . . 0.0 109.569 179.74 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 75.4 t80 -59.76 -45.0 93.6 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.145 -0.972 . . . . 0.0 108.948 179.849 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 9.2 mmt -60.09 -40.53 89.92 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.275 -0.891 . . . . 0.0 108.983 178.76 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -60.65 -40.48 92.16 Favored 'General case' 0 C--N 1.304 -1.4 0 O-C-N 121.191 -0.943 . . . . 0.0 109.71 179.927 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 70.9 t80 -60.2 -42.38 94.97 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.369 -0.832 . . . . 0.0 110.946 -179.758 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 53.1 t -64.07 -45.94 95.19 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.592 0 O-C-N 121.054 -1.029 . . . . 0.0 108.962 -179.126 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 58.4 m -63.09 -41.03 99.31 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.348 -0.845 . . . . 0.0 110.374 -179.535 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 31.1 mmm -62.87 -40.29 97.04 Favored 'General case' 0 C--N 1.3 -1.554 0 O-C-N 120.875 -1.14 . . . . 0.0 110.126 -178.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 53.7 t -67.42 -42.51 87.35 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.75 0 O-C-N 120.974 -1.079 . . . . 0.0 110.491 179.816 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 19.4 p -64.8 -40.82 95.86 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 120.818 -1.176 . . . . 0.0 110.187 -179.318 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 75.6 p -68.64 -39.81 80.56 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.276 -0.89 . . . . 0.0 109.995 -179.911 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -68.52 -40.08 80.95 Favored 'General case' 0 C--N 1.301 -1.511 0 O-C-N 121.407 -0.808 . . . . 0.0 109.486 -179.451 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 17.8 t -73.36 142.29 47.04 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.338 -0.851 . . . . 0.0 108.74 179.59 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 52.6 m170 -76.51 141.07 41.38 Favored 'General case' 0 C--N 1.303 -1.44 0 O-C-N 121.443 -0.786 . . . . 0.0 110.243 -179.022 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 41.0 mt-10 -70.46 -154.73 0.02 OUTLIER 'General case' 0 C--N 1.302 -1.483 0 N-CA-C 108.795 -0.817 . . . . 0.0 108.795 179.402 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 36.4 t80 55.44 90.82 0.03 OUTLIER 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.256 -0.903 . . . . 0.0 109.765 179.772 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 47.6 t80 . . . . . 0 N--CA 1.492 1.64 0 N-CA-C 108.42 -0.955 . . . . 0.0 108.42 179.126 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 30.3 t . . . . . 0 N--CA 1.49 1.566 0 CA-C-O 121.291 0.567 . . . . 0.0 109.615 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 46.0 mt-10 -61.58 -36.71 81.45 Favored 'General case' 0 N--CA 1.494 1.742 0 O-C-N 121.429 -0.794 . . . . 0.0 108.901 179.83 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 3' ' ' LEU . . . . . 0.52 HD13 ' O ' ' B' ' 3' ' ' LEU . 0.3 OUTLIER -58.36 -46.62 85.94 Favored 'General case' 0 N--CA 1.488 1.469 0 N-CA-C 108.196 -1.038 . . . . 0.0 108.196 179.443 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 87.7 tt0 -60.01 -40.21 88.46 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 120.887 -1.133 . . . . 0.0 109.672 179.081 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 57.7 mmtt -59.99 -39.07 84.49 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.22 -0.925 . . . . 0.0 109.672 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -59.94 -48.93 79.69 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.223 -0.923 . . . . 0.0 110.224 -178.731 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 7' ' ' MET . . . . . . . . . . . . . 94.0 mtp -64.71 -40.2 94.95 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 120.945 -1.097 . . . . 0.0 110.209 -179.877 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 58.0 t -68.7 -47.51 76.16 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.558 0 O-C-N 121.187 -0.946 . . . . 0.0 109.837 -179.813 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -64.38 -40.01 94.98 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.387 -0.821 . . . . 0.0 110.314 -178.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 7.6 tt -61.05 -40.81 95.06 Favored 'General case' 0 C--N 1.302 -1.459 0 O-C-N 121.116 -0.99 . . . . 0.0 109.399 -179.141 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 96.9 mt -67.44 -40.48 84.62 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.49 0 O-C-N 121.248 -0.908 . . . . 0.0 110.45 -179.525 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 96.8 m-20 -64.38 -40.07 95.09 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.024 -1.048 . . . . 0.0 109.81 -179.764 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 61.0 t -68.35 -42.79 84.46 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.747 0 O-C-N 121.091 -1.006 . . . . 0.0 110.109 -179.738 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 14' ' ' PHE . . . . . . . . . . . . . 71.6 t80 -60.45 -42.16 95.57 Favored 'General case' 0 N--CA 1.495 1.776 0 O-C-N 120.953 -1.092 . . . . 0.0 110.025 -179.802 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 34.4 m170 -65.29 -38.79 91.31 Favored 'General case' 0 C--N 1.298 -1.653 0 O-C-N 121.287 -0.883 . . . . 0.0 110.197 179.722 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 63.5 tt0 -60.02 -56.34 22.85 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.096 -1.002 . . . . 0.0 110.722 -178.154 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 71.0 m-85 -70.19 -39.59 75.11 Favored 'General case' 0 C--N 1.297 -1.688 0 O-C-N 121.03 -1.043 . . . . 0.0 110.978 -179.678 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 18' ' ' SER . . . . . 0.464 ' O ' ' O ' ' B' ' 23' ' ' ASP . 55.8 p -71.79 -41.24 68.53 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 120.791 -1.193 . . . . 0.0 110.403 -178.819 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -67.84 -0.77 14.92 Favored Glycine 0 N--CA 1.495 2.631 0 N-CA-C 109.856 -1.298 . . . . 0.0 109.856 -179.661 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 20' ' ' ARG . . . . . 0.498 HH11 ' HG2' ' B' ' 20' ' ' ARG . 6.2 ttt-85 -60.17 -39.8 87.72 Favored 'General case' 0 C--N 1.295 -1.763 0 O-C-N 121.361 -1.082 . . . . 0.0 109.649 179.857 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 21' ' ' GLU . . . . . 0.501 ' C ' ' H ' ' B' ' 23' ' ' ASP . 37.9 mt-10 -117.54 49.58 1.2 Allowed 'General case' 0 N--CA 1.503 2.21 0 O-C-N 121.404 -0.81 . . . . 0.0 110.834 -178.67 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . 58.48 -1.1 0.31 Allowed Glycine 0 N--CA 1.489 2.168 0 C-N-CA 119.951 -1.119 . . . . 0.0 110.391 179.219 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 23' ' ' ASP . . . . . 0.501 ' H ' ' C ' ' B' ' 21' ' ' GLU . 83.5 m-20 -92.8 95.9 9.82 Favored 'General case' 0 N--CA 1.496 1.833 0 O-C-N 120.98 -1.306 . . . . 0.0 108.681 179.744 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 97.6 mttt -97.03 -35.7 10.74 Favored 'General case' 0 N--CA 1.496 1.846 0 O-C-N 120.997 -1.064 . . . . 0.0 110.32 -179.378 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 25' ' ' HIS . . . . . . . . . . . . . 77.4 m80 -99.76 0.75 42.31 Favored 'General case' 0 N--CA 1.498 1.942 0 O-C-N 121.264 -0.897 . . . . 0.0 110.177 -179.214 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -127.48 145.71 50.75 Favored 'General case' 0 N--CA 1.501 2.091 0 O-C-N 121.462 -0.774 . . . . 0.0 109.225 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 41.4 tp -115.06 134.39 55.22 Favored 'General case' 0 N--CA 1.498 1.933 0 N-CA-C 108.253 -1.017 . . . . 0.0 108.253 179.892 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 39.2 tttm -97.47 151.22 20.21 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.39 -0.819 . . . . 0.0 110.724 -178.847 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -59.81 -39.57 85.48 Favored 'General case' 0 N--CA 1.498 1.965 0 CA-C-N 116.233 -0.439 . . . . 0.0 109.965 -179.481 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 89.1 p -59.83 -39.89 86.61 Favored 'General case' 0 N--CA 1.496 1.836 0 O-C-N 121.242 -0.911 . . . . 0.0 109.538 -179.538 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 89.8 mt-10 -67.7 -30.9 70.52 Favored 'General case' 0 C--N 1.302 -1.495 0 O-C-N 121.192 -0.942 . . . . 0.0 109.728 179.821 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 32' ' ' LEU . . . . . 0.584 ' O ' HD23 ' B' ' 32' ' ' LEU . 3.5 tt -59.96 -50.4 73.89 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 120.931 -1.105 . . . . 0.0 109.693 -179.308 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 7.8 ttpm? -59.78 -41.39 91.03 Favored 'General case' 0 N--CA 1.496 1.839 0 O-C-N 120.318 -1.489 . . . . 0.0 110.025 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 80.7 mm-40 -63.09 -39.64 95.31 Favored 'General case' 0 C--N 1.299 -1.604 0 O-C-N 120.886 -1.134 . . . . 0.0 109.883 -179.889 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 5.9 tt -60.33 -45.95 91.62 Favored 'General case' 0 C--N 1.301 -1.536 0 O-C-N 121.283 -0.886 . . . . 0.0 109.3 -179.223 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 97.1 mt -60.24 -42.6 90.99 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.405 0 O-C-N 121.149 -0.97 . . . . 0.0 109.786 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 40.5 t30 -60.33 -39.69 87.95 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.466 -0.771 . . . . 0.0 109.902 -179.771 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 38' ' ' ASN . . . . . 0.537 ' ND2' ' OE1' ' B' ' 39' ' ' GLU . 55.1 t30 -42.78 -91.89 0.0 OUTLIER 'General case' 0 N--CA 1.496 1.84 0 O-C-N 121.561 -0.712 . . . . 0.0 110.638 -178.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 39' ' ' GLU . . . . . 0.537 ' OE1' ' ND2' ' B' ' 38' ' ' ASN . 9.1 mp0 -143.66 44.34 1.49 Allowed 'General case' 0 N--CA 1.5 2.062 0 O-C-N 120.721 -1.237 . . . . 0.0 110.033 -179.441 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 4.0 tp -130.64 10.66 5.18 Favored 'General case' 0 N--CA 1.506 2.344 0 O-C-N 121.036 -1.04 . . . . 0.0 109.36 -179.931 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 41' ' ' SER . . . . . 0.441 ' O ' ' O ' ' B' ' 44' ' ' LEU . 58.5 m -70.54 -25.55 63.16 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.04 -1.038 . . . . 0.0 109.614 -179.673 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 42' ' ' HIS . . . . . . . . . . . . . 74.0 m80 -61.57 -40.24 94.02 Favored 'General case' 0 C--N 1.302 -1.475 0 O-C-N 121.107 -0.996 . . . . 0.0 109.184 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 80.6 m-85 -69.37 -36.48 76.86 Favored 'General case' 0 N--CA 1.495 1.807 0 O-C-N 121.196 -0.94 . . . . 0.0 110.694 -179.431 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 44' ' ' LEU . . . . . 0.441 ' O ' ' O ' ' B' ' 41' ' ' SER . 6.1 mp -106.17 135.46 47.61 Favored 'General case' 0 N--CA 1.505 2.288 0 O-C-N 121.056 -1.027 . . . . 0.0 110.15 -179.613 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 88.2 tt0 -140.3 76.61 1.57 Allowed 'General case' 0 N--CA 1.498 1.932 0 O-C-N 121.155 -0.965 . . . . 0.0 108.945 178.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 46' ' ' GLU . . . . . 0.409 ' H ' ' H ' ' B' ' 47' ' ' ILE . 0.9 OUTLIER -173.21 -1.8 0.01 OUTLIER 'General case' 0 N--CA 1.494 1.746 0 O-C-N 121.109 -0.994 . . . . 0.0 109.638 179.991 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' B' B ' 47' ' ' ILE . . . . . 0.409 ' H ' ' H ' ' B' ' 46' ' ' GLU . 95.8 mt -94.18 123.79 46.42 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.079 0 O-C-N 121.126 -0.984 . . . . 0.0 110.024 -179.43 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 53.3 mttm -129.78 -63.29 0.93 Allowed 'General case' 0 N--CA 1.502 2.145 0 O-C-N 121.337 -0.852 . . . . 0.0 109.911 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 49.8 tp10 -95.24 153.03 17.86 Favored 'General case' 0 N--CA 1.497 1.919 0 O-C-N 121.581 -0.699 . . . . 0.0 109.569 -178.952 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 50' ' ' GLN . . . . . 0.44 ' CD ' ' H ' ' B' ' 50' ' ' GLN . 28.5 mp0 -60.09 -32.49 71.01 Favored 'General case' 0 N--CA 1.5 2.055 0 O-C-N 120.973 -1.079 . . . . 0.0 109.82 -179.268 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 75.9 mm-40 -59.61 -39.28 83.7 Favored 'General case' 0 C--N 1.299 -1.599 0 O-C-N 121.606 -0.684 . . . . 0.0 109.292 -179.04 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 55.4 t -60.0 -41.95 87.93 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.85 0 C-N-CA 119.175 -1.01 . . . . 0.0 108.911 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 53.4 t -60.69 -41.52 88.55 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.75 0 O-C-N 121.165 -0.959 . . . . 0.0 109.229 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 67.0 t0 -59.99 -44.98 94.17 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.329 -0.857 . . . . 0.0 110.386 -179.652 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 51.9 tptt -60.09 -46.34 89.91 Favored 'General case' 0 N--CA 1.495 1.793 0 O-C-N 120.767 -1.208 . . . . 0.0 108.473 -179.859 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 53.6 t -61.51 -39.83 84.33 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.599 0 O-C-N 121.359 -0.838 . . . . 0.0 109.701 179.326 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 57' ' ' MET . . . . . 0.445 ' SD ' ' OD1' ' B' ' 61' ' ' ASP . 0.0 OUTLIER -59.3 -40.09 85.1 Favored 'General case' 0 C--N 1.3 -1.583 0 O-C-N 121.168 -0.958 . . . . 0.0 109.558 -178.252 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 53.1 tp10 -61.73 -44.65 96.5 Favored 'General case' 0 N--CA 1.488 1.465 0 O-C-N 120.785 -1.197 . . . . 0.0 109.647 179.594 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 94.1 m -63.93 -40.34 96.22 Favored 'General case' 0 N--CA 1.5 2.054 0 O-C-N 121.152 -0.967 . . . . 0.0 110.871 -178.771 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -67.6 -39.93 84.79 Favored 'General case' 0 N--CA 1.495 1.788 0 O-C-N 121.266 -0.896 . . . . 0.0 110.63 -178.879 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 61' ' ' ASP . . . . . 0.445 ' OD1' ' SD ' ' B' ' 57' ' ' MET . 1.1 m-20 -77.05 117.37 18.56 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 120.792 -1.192 . . . . 0.0 109.126 -179.709 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 65.3 mm-40 -66.41 -41.23 89.58 Favored 'General case' 0 N--CA 1.496 1.833 0 O-C-N 121.3 -0.875 . . . . 0.0 111.068 -179.103 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 63' ' ' ASP . . . . . 0.446 ' OD2' ' OD2' ' B' ' 65' ' ' ASP . 28.1 p-10 -100.12 -0.31 39.19 Favored 'General case' 0 N--CA 1.499 1.989 0 O-C-N 121.246 -0.909 . . . . 0.0 110.311 -178.947 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 59.25 50.7 65.01 Favored Glycine 0 N--CA 1.492 2.416 0 N-CA-C 109.992 -1.243 . . . . 0.0 109.992 179.523 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 65' ' ' ASP . . . . . 0.446 ' OD2' ' OD2' ' B' ' 63' ' ' ASP . 96.7 m-20 -71.08 -22.36 62.12 Favored 'General case' 0 N--CA 1.494 1.768 0 O-C-N 121.378 -1.072 . . . . 0.0 110.683 -179.535 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 90.81 -7.91 80.55 Favored Glycine 0 N--CA 1.498 2.771 0 N-CA-C 109.489 -1.444 . . . . 0.0 109.489 -179.669 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 87.1 tt0 -137.61 141.79 41.26 Favored 'General case' 0 N--CA 1.494 1.761 0 O-C-N 121.492 -1.005 . . . . 0.0 108.755 179.752 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 68' ' ' CYS . . . . . . . . . . . . . 5.0 p -97.96 119.19 36.16 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.263 -0.898 . . . . 0.0 110.621 -178.581 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 69' ' ' ASP . . . . . 0.412 ' OD1' ' C ' ' B' ' 69' ' ' ASP . 39.8 p-10 -93.52 177.72 5.93 Favored 'General case' 0 N--CA 1.5 2.025 0 O-C-N 121.042 -1.036 . . . . 0.0 109.732 179.8 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 62.4 t80 -60.18 -41.22 92.42 Favored 'General case' 0 C--N 1.304 -1.383 0 O-C-N 121.513 -0.742 . . . . 0.0 110.1 -179.594 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 7.3 tt0 -60.24 -44.62 95.08 Favored 'General case' 0 N--CA 1.494 1.766 0 O-C-N 120.878 -1.139 . . . . 0.0 109.918 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -69.99 -29.9 67.1 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.16 -0.963 . . . . 0.0 109.704 179.707 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 73' ' ' PHE . . . . . . . . . . . . . 73.3 t80 -60.01 -44.12 94.78 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 120.98 -1.075 . . . . 0.0 109.13 179.617 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 74' ' ' MET . . . . . . . . . . . . . 8.5 mmt -60.63 -40.1 90.68 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.19 -0.944 . . . . 0.0 109.276 178.952 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -60.78 -40.65 93.38 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.196 -0.94 . . . . 0.0 109.655 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 66.2 t80 -59.99 -43.19 95.32 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 121.284 -0.885 . . . . 0.0 110.792 -179.659 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 77' ' ' VAL . . . . . . . . . . . . . 55.1 t -62.87 -47.22 93.89 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.461 0 O-C-N 120.849 -1.157 . . . . 0.0 108.687 -179.854 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 78' ' ' SER . . . . . . . . . . . . . 58.3 m -61.94 -41.64 98.19 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.239 -0.913 . . . . 0.0 110.692 -179.558 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 79' ' ' MET . . . . . . . . . . . . . 23.7 mmm -62.36 -39.98 94.92 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.102 -0.999 . . . . 0.0 109.95 -179.416 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 55.3 t -68.69 -42.47 83.13 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.71 0 O-C-N 120.861 -1.149 . . . . 0.0 110.59 -179.645 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 16.6 p -64.2 -42.53 96.6 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 120.693 -1.254 . . . . 0.0 109.808 -179.583 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 74.3 p -67.28 -40.35 86.14 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.324 -0.86 . . . . 0.0 109.986 -179.583 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -68.27 -40.84 81.74 Favored 'General case' 0 C--N 1.302 -1.494 0 O-C-N 121.334 -0.854 . . . . 0.0 109.605 -179.4 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 84' ' ' CYS . . . . . . . . . . . . . 9.5 t -72.59 142.62 48.4 Favored 'General case' 0 C--N 1.304 -1.407 0 N-CA-C 108.465 -0.939 . . . . 0.0 108.465 179.642 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 85' ' ' HIS . . . . . . . . . . . . . 49.9 m170 -77.17 141.94 39.88 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.201 -0.937 . . . . 0.0 109.912 -178.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 42.1 mt-10 -70.82 -153.65 0.02 OUTLIER 'General case' 0 N--CA 1.487 1.387 0 N-CA-C 108.892 -0.781 . . . . 0.0 108.892 179.348 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 87' ' ' PHE . . . . . . . . . . . . . 35.4 t80 54.77 91.55 0.03 OUTLIER 'General case' 0 N--CA 1.486 1.367 0 O-C-N 121.461 -0.775 . . . . 0.0 109.657 179.74 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 49.6 t80 . . . . . 0 N--CA 1.493 1.724 0 N-CA-C 108.298 -1.001 . . . . 0.0 108.298 179.197 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 6.2 m . . . . . 0 N--CA 1.49 1.538 0 CA-C-O 121.358 0.599 . . . . 0.0 109.697 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 75.1 mm-40 -59.9 -37.24 78.85 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.309 -0.869 . . . . 0.0 109.71 179.894 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . 0.538 HD11 HG11 ' B' ' 13' ' ' VAL . 69.4 mt -59.97 -40.23 88.39 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.405 -0.81 . . . . 0.0 110.161 -178.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 -66.37 -40.16 89.56 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 120.88 -1.138 . . . . 0.0 110.076 -179.492 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 63.2 mttp -68.25 -38.49 81.84 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.115 -0.991 . . . . 0.0 109.667 179.289 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -59.99 -44.91 94.22 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.292 -0.88 . . . . 0.0 110.195 -178.938 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -59.99 -46.28 89.98 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 120.999 -1.063 . . . . 0.0 109.236 -179.95 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 96.5 t -67.16 -38.66 81.54 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.613 0 O-C-N 121.331 -0.856 . . . . 0.0 109.646 -179.833 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -57.08 -48.56 78.29 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.203 -0.936 . . . . 0.0 110.499 -178.669 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 9.6 mp -60.12 -45.99 91.13 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 120.868 -1.145 . . . . 0.0 109.649 -179.509 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 44.1 mm -67.19 -42.88 88.57 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.705 0 O-C-N 120.694 -1.254 . . . . 0.0 109.891 -179.903 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 7.6 t0 -60.04 -49.58 77.09 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.438 -0.789 . . . . 0.0 110.579 -179.109 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.425 HG11 HD11 ' B' ' 3' ' ' LEU . 84.1 t -69.29 -40.84 80.71 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.703 0 O-C-N 120.908 -1.12 . . . . 0.0 110.32 -179.03 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . 0.606 ' CE1' ' CE2' ' A' ' 70' ' ' PHE . 25.6 t80 -59.96 -45.37 92.87 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 121.197 -0.939 . . . . 0.0 109.79 -179.15 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 11.5 t-160 -65.16 -41.3 94.81 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.346 -0.846 . . . . 0.0 111.533 -179.128 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 5.1 tm0? -64.79 -52.91 54.33 Favored 'General case' 0 N--CA 1.495 1.814 0 O-C-N 120.937 -1.102 . . . . 0.0 110.982 -178.189 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 54.6 m-85 -70.12 -40.05 75.09 Favored 'General case' 0 N--CA 1.496 1.844 0 O-C-N 120.893 -1.129 . . . . 0.0 110.377 -179.791 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . 0.493 ' C ' ' H ' ' A' ' 20' ' ' ARG . 78.9 p -67.85 -34.4 76.62 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.158 -0.964 . . . . 0.0 110.408 -179.562 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -69.63 17.82 0.64 Allowed Glycine 0 N--CA 1.493 2.493 0 N-CA-C 110.19 -1.164 . . . . 0.0 110.19 -179.501 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . 0.493 ' H ' ' C ' ' A' ' 18' ' ' SER . 11.7 tpp180 -60.11 -39.93 87.92 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.003 -1.292 . . . . 0.0 109.771 -179.53 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.5 ' C ' ' H ' ' A' ' 23' ' ' ASP . 68.2 tt0 -146.29 56.86 1.18 Allowed 'General case' 0 N--CA 1.498 1.943 0 O-C-N 120.812 -1.18 . . . . 0.0 110.124 -179.518 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 61.86 -4.13 0.56 Allowed Glycine 0 N--CA 1.493 2.473 0 N-CA-C 110.046 -1.222 . . . . 0.0 110.046 179.367 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . 0.5 ' H ' ' C ' ' A' ' 21' ' ' GLU . 94.6 m-20 -83.98 63.12 7.41 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.016 -1.285 . . . . 0.0 109.227 -179.736 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 45.8 mtmt -69.93 -38.61 76.25 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.386 -0.822 . . . . 0.0 110.407 -179.617 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 40.7 t-80 -90.08 1.63 56.14 Favored 'General case' 0 N--CA 1.498 1.967 0 O-C-N 121.029 -1.044 . . . . 0.0 111.625 -178.001 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 86.7 mttt -136.84 145.0 43.92 Favored 'General case' 0 N--CA 1.503 2.196 0 O-C-N 120.765 -1.21 . . . . 0.0 111.149 -179.057 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.444 HD11 ' CE2' ' A' ' 14' ' ' PHE . 18.2 mt -120.19 141.79 49.58 Favored 'General case' 0 N--CA 1.497 1.904 0 N-CA-C 108.644 -0.873 . . . . 0.0 108.644 179.179 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.454 ' NZ ' ' OD2' ' A' ' 23' ' ' ASP . 37.9 mttp -98.6 165.89 11.6 Favored 'General case' 0 N--CA 1.499 2.023 0 O-C-N 121.185 -0.947 . . . . 0.0 109.963 179.946 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 13.6 pttm -60.11 -39.79 87.42 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.494 -0.754 . . . . 0.0 109.475 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 22.8 t -61.62 -40.0 93.28 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 121.255 -0.903 . . . . 0.0 109.573 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 42.1 mt-10 -60.69 -40.07 90.85 Favored 'General case' 0 N--CA 1.488 1.436 0 O-C-N 121.182 -0.949 . . . . 0.0 109.81 -179.93 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 90.2 mt -64.6 -39.98 94.7 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.059 -1.026 . . . . 0.0 109.961 -179.308 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 2.4 tmmt? -60.13 -49.82 76.11 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 120.695 -1.253 . . . . 0.0 110.295 -179.106 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 99.3 mt-10 -69.46 -39.36 77.79 Favored 'General case' 0 C--N 1.301 -1.518 0 O-C-N 121.12 -0.988 . . . . 0.0 109.673 -179.922 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.401 ' O ' ' CD ' ' A' ' 39' ' ' GLU . 59.1 tp -60.2 -48.79 80.25 Favored 'General case' 0 N--CA 1.494 1.762 0 O-C-N 121.411 -0.806 . . . . 0.0 111.446 -178.233 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.45 ' O ' ' OE1' ' A' ' 39' ' ' GLU . 1.3 mp -60.08 -40.97 84.86 Favored 'Isoleucine or valine' 0 N--CA 1.504 2.229 0 O-C-N 120.722 -1.236 . . . . 0.0 109.891 -178.406 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 67.0 m-80 -60.37 -38.55 84.25 Favored 'General case' 0 C--N 1.299 -1.624 0 O-C-N 120.624 -1.298 . . . . 0.0 109.847 -179.674 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 21.0 m120 -60.21 -40.87 91.64 Favored 'General case' 0 N--CA 1.495 1.794 0 O-C-N 121.21 -0.931 . . . . 0.0 112.684 -177.837 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . 0.499 ' OE1' ' N ' ' A' ' 39' ' ' GLU . 0.0 OUTLIER -108.38 -73.26 0.69 Allowed 'General case' 0 N--CA 1.513 2.679 0 O-C-N 120.785 -1.197 . . . . 0.0 110.545 -178.576 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.479 ' N ' ' OE1' ' A' ' 39' ' ' GLU . 3.0 mp -84.79 81.82 8.71 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.048 -1.033 . . . . 0.0 110.115 -178.479 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . 0.43 ' OG ' ' N ' ' A' ' 42' ' ' HIS . 1.4 p -102.51 -52.82 3.02 Favored 'General case' 0 N--CA 1.496 1.852 0 N-CA-C 108.78 -0.822 . . . . 0.0 108.78 179.094 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' HIS . . . . . 0.43 ' N ' ' OG ' ' A' ' 41' ' ' SER . 94.0 m-70 -70.01 -36.3 75.0 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.655 -0.653 . . . . 0.0 110.256 -179.808 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . 0.46 ' C ' HD12 ' A' ' 44' ' ' LEU . 63.3 m-85 -59.9 -39.96 87.16 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 121.176 -0.952 . . . . 0.0 109.995 -179.195 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.507 ' N ' HD12 ' A' ' 44' ' ' LEU . 7.7 mp -100.06 14.04 32.03 Favored 'General case' 0 N--CA 1.499 1.995 0 O-C-N 121.263 -0.898 . . . . 0.0 109.294 -179.584 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . 0.444 ' O ' ' O ' ' A' ' 46' ' ' GLU . 64.6 mm-40 57.06 39.99 28.83 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.631 -0.668 . . . . 0.0 110.221 -179.699 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . 0.444 ' O ' ' O ' ' A' ' 45' ' ' GLU . 95.7 mt-10 46.34 96.34 0.01 OUTLIER 'General case' 0 N--CA 1.494 1.75 0 O-C-N 121.361 -0.837 . . . . 0.0 110.423 178.794 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 91.4 mt -60.4 120.26 5.89 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.636 0 O-C-N 120.956 -1.09 . . . . 0.0 108.804 179.336 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -101.82 -4.43 26.34 Favored 'General case' 0 N--CA 1.499 1.988 0 O-C-N 121.316 -0.865 . . . . 0.0 110.576 -179.279 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 13.6 mm-40 -111.81 131.66 55.19 Favored 'General case' 0 N--CA 1.508 2.458 0 O-C-N 121.09 -1.006 . . . . 0.0 109.356 179.409 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 4.1 mp0 -69.97 -37.09 75.67 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.398 -0.814 . . . . 0.0 109.842 179.802 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 13.4 pt-20 -59.54 -33.62 71.63 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.163 -0.961 . . . . 0.0 110.226 -179.195 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 54.4 t -60.1 -40.8 84.41 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.555 0 O-C-N 120.827 -1.171 . . . . 0.0 108.709 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 54.5 t -61.62 -41.84 91.88 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.498 0 O-C-N 121.171 -0.955 . . . . 0.0 109.174 179.221 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 7.0 t0 -63.28 -41.74 99.03 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.253 -0.904 . . . . 0.0 110.093 -179.89 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -59.9 -48.71 80.58 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.059 -1.026 . . . . 0.0 109.003 -179.832 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 54.5 t -66.07 -41.47 89.63 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.437 0 O-C-N 121.206 -0.934 . . . . 0.0 109.415 179.6 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 28.2 ttt -61.48 -40.03 93.06 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.412 -0.805 . . . . 0.0 109.43 179.776 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 13.8 tm-20 -60.15 -39.96 88.2 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.437 -0.789 . . . . 0.0 110.023 -179.626 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 94.9 m -60.17 -44.46 95.0 Favored 'General case' 0 N--CA 1.496 1.859 0 O-C-N 121.168 -0.957 . . . . 0.0 110.737 -179.186 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.473 ' CD2' ' N ' ' A' ' 60' ' ' LEU . 3.1 mm? -69.14 -40.1 78.46 Favored 'General case' 0 N--CA 1.495 1.807 0 O-C-N 121.024 -1.048 . . . . 0.0 109.929 -179.231 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 91.0 m-20 -80.99 58.03 3.3 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.245 -0.909 . . . . 0.0 109.364 179.885 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 85.4 tt0 -60.09 -32.32 70.85 Favored 'General case' 0 C--N 1.304 -1.374 0 N-CA-C 108.352 -0.981 . . . . 0.0 108.352 179.432 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . 0.425 ' OD2' ' OD2' ' A' ' 65' ' ' ASP . 29.0 p30 -77.26 -11.03 59.78 Favored 'General case' 0 N--CA 1.487 1.424 0 O-C-N 121.43 -0.794 . . . . 0.0 109.336 179.73 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 68.47 29.59 73.02 Favored Glycine 0 N--CA 1.493 2.469 0 N-CA-C 110.405 -1.078 . . . . 0.0 110.405 179.142 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . 0.425 ' OD2' ' OD2' ' A' ' 63' ' ' ASP . 98.2 m-20 -62.78 -37.25 85.93 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 120.982 -1.305 . . . . 0.0 109.429 179.503 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 95.46 -8.11 68.94 Favored Glycine 0 N--CA 1.496 2.651 0 N-CA-C 109.84 -1.304 . . . . 0.0 109.84 179.874 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 64.7 mm-40 -134.79 147.78 50.05 Favored 'General case' 0 N--CA 1.499 2.006 0 O-C-N 121.311 -1.111 . . . . 0.0 109.315 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 2.1 m -99.45 118.5 36.19 Favored 'General case' 0 N--CA 1.5 2.063 0 O-C-N 121.296 -0.877 . . . . 0.0 109.93 -179.591 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 2.3 p-10 -90.53 179.49 5.83 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.38 -0.825 . . . . 0.0 109.998 179.553 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' PHE . . . . . 0.606 ' CE2' ' CE1' ' A' ' 14' ' ' PHE . 0.3 OUTLIER -59.96 -45.19 93.48 Favored 'General case' 0 N--CA 1.494 1.763 0 O-C-N 121.46 -0.775 . . . . 0.0 110.065 -179.615 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 70.3 tp60 -59.85 -47.28 86.36 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 120.954 -1.091 . . . . 0.0 109.063 -179.279 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 86.0 mt-10 -61.88 -39.83 93.3 Favored 'General case' 0 N--CA 1.487 1.381 0 O-C-N 121.084 -1.01 . . . . 0.0 109.313 179.296 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 51.2 t80 -60.09 -49.99 75.49 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.117 -0.99 . . . . 0.0 109.278 179.652 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 55.9 tpp -60.64 -39.84 89.79 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 121.349 -0.844 . . . . 0.0 109.497 179.567 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -59.07 -39.87 83.44 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.447 -0.783 . . . . 0.0 109.777 -179.17 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 65.5 t80 -59.87 -46.72 88.42 Favored 'General case' 0 C--N 1.301 -1.51 0 O-C-N 121.155 -0.966 . . . . 0.0 108.869 179.798 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 53.6 t -63.92 -40.34 88.68 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.477 0 O-C-N 121.342 -0.849 . . . . 0.0 108.99 179.449 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 40.5 t -62.07 -43.87 97.9 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.434 -0.791 . . . . 0.0 110.606 -179.601 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 28.4 ttt -60.46 -41.1 93.43 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.084 -1.01 . . . . 0.0 110.404 -179.008 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 74.3 t -65.88 -39.98 86.22 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.496 0 O-C-N 121.227 -0.921 . . . . 0.0 109.173 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 83.4 m -60.01 -47.46 85.73 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.349 -0.844 . . . . 0.0 109.881 -179.429 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 40.0 p -67.27 -40.05 86.11 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 120.883 -1.136 . . . . 0.0 109.749 -179.644 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . 0.42 ' O ' ' O ' ' A' ' 84' ' ' CYS . . . -61.96 -39.97 93.95 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.301 -0.875 . . . . 0.0 110.104 -179.823 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 84' ' ' CYS . . . . . 0.42 ' O ' ' O ' ' A' ' 83' ' ' ALA . 71.0 m -39.93 159.88 0.01 OUTLIER 'General case' 0 N--CA 1.498 1.955 0 O-C-N 121.504 -0.748 . . . . 0.0 110.564 -179.267 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 92.0 m-70 -94.24 96.56 9.66 Favored 'General case' 0 N--CA 1.494 1.773 0 O-C-N 121.393 -0.817 . . . . 0.0 109.867 -179.297 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 43.73 -154.91 0.02 OUTLIER 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.565 -0.709 . . . . 0.0 109.722 179.3 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 52.2 p90 -87.45 132.36 34.02 Favored 'General case' 0 N--CA 1.494 1.759 0 O-C-N 121.096 -1.003 . . . . 0.0 109.359 179.881 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 5.7 m-85 . . . . . 0 N--CA 1.492 1.672 0 O-C-N 120.996 -1.065 . . . . 0.0 108.33 179.757 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 10.7 m . . . . . 0 N--CA 1.49 1.541 0 CA-C-O 121.233 0.54 . . . . 0.0 109.604 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 74.9 mm-40 -60.07 -37.31 79.5 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.399 -0.813 . . . . 0.0 109.626 -179.94 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 3' ' ' LEU . . . . . 0.465 HD13 ' HG2' ' A' ' 39' ' ' GLU . 65.7 mt -60.04 -40.27 88.81 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.225 -0.922 . . . . 0.0 110.216 -179.037 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 -66.07 -40.17 90.65 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 120.905 -1.122 . . . . 0.0 109.921 -179.559 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 63.2 mttp -68.4 -38.7 81.55 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.106 -0.997 . . . . 0.0 109.79 179.174 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -59.96 -44.91 94.14 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.16 -0.962 . . . . 0.0 110.102 -178.945 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 7' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -60.08 -45.75 91.88 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 120.979 -1.076 . . . . 0.0 109.227 -179.883 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 92.9 t -67.73 -38.55 80.49 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.643 0 O-C-N 121.261 -0.899 . . . . 0.0 109.656 -179.921 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -56.45 -49.04 75.77 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.265 -0.897 . . . . 0.0 110.544 -178.823 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 9.6 mp -60.14 -46.03 91.04 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 120.887 -1.133 . . . . 0.0 109.74 -179.356 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 44.5 mm -67.16 -42.7 88.44 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.726 0 O-C-N 120.702 -1.249 . . . . 0.0 109.777 -179.937 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 7.6 t0 -60.09 -49.75 76.43 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.25 -0.906 . . . . 0.0 110.586 -179.149 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 13' ' ' VAL . . . . . 0.538 HG11 HD11 ' A' ' 3' ' ' LEU . 93.8 t -69.28 -40.91 80.81 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.748 0 O-C-N 120.956 -1.09 . . . . 0.0 110.26 -178.953 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 14' ' ' PHE . . . . . 0.618 ' CE1' ' CE2' ' B' ' 70' ' ' PHE . 25.9 t80 -60.01 -45.2 93.55 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 121.196 -0.94 . . . . 0.0 109.749 -179.089 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 11.5 t-160 -65.26 -41.48 94.23 Favored 'General case' 0 N--CA 1.494 1.76 0 O-C-N 121.247 -0.908 . . . . 0.0 111.521 -179.177 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 4.8 tm0? -64.59 -52.93 55.0 Favored 'General case' 0 N--CA 1.494 1.772 0 O-C-N 120.883 -1.136 . . . . 0.0 111.006 -178.184 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 56.0 m-85 -69.92 -40.14 75.74 Favored 'General case' 0 N--CA 1.496 1.841 0 O-C-N 120.81 -1.181 . . . . 0.0 110.337 -179.857 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 18' ' ' SER . . . . . 0.501 ' C ' ' H ' ' B' ' 20' ' ' ARG . 80.4 p -67.93 -34.56 76.84 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.192 -0.943 . . . . 0.0 110.366 -179.249 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -69.48 17.91 0.6 Allowed Glycine 0 N--CA 1.494 2.52 0 N-CA-C 110.217 -1.153 . . . . 0.0 110.217 -179.486 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 20' ' ' ARG . . . . . 0.501 ' H ' ' C ' ' B' ' 18' ' ' SER . 11.7 tpp180 -60.17 -39.78 87.65 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 120.972 -1.311 . . . . 0.0 109.797 -179.584 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 21' ' ' GLU . . . . . 0.502 ' C ' ' H ' ' B' ' 23' ' ' ASP . 66.7 tt0 -146.22 57.0 1.19 Allowed 'General case' 0 N--CA 1.498 1.952 0 O-C-N 120.946 -1.096 . . . . 0.0 110.178 -179.531 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . 61.6 -4.08 0.5 Allowed Glycine 0 N--CA 1.493 2.499 0 C-N-CA 119.765 -1.207 . . . . 0.0 110.142 179.491 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 23' ' ' ASP . . . . . 0.502 ' H ' ' C ' ' B' ' 21' ' ' GLU . 96.4 m-20 -84.05 63.37 7.58 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.051 -1.264 . . . . 0.0 109.269 -179.869 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 47.8 mtmt -69.95 -38.45 76.15 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.462 -0.774 . . . . 0.0 110.364 -179.744 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 25' ' ' HIS . . . . . . . . . . . . . 39.5 t-80 -90.07 1.61 56.16 Favored 'General case' 0 N--CA 1.497 1.904 0 O-C-N 121.025 -1.047 . . . . 0.0 111.71 -178.0 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 85.6 mttt -136.92 144.96 43.74 Favored 'General case' 0 N--CA 1.503 2.212 0 O-C-N 120.835 -1.166 . . . . 0.0 111.193 -178.865 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 27' ' ' LEU . . . . . 0.444 HD11 ' CE2' ' B' ' 14' ' ' PHE . 19.8 mt -120.14 141.47 49.82 Favored 'General case' 0 N--CA 1.498 1.953 0 N-CA-C 108.635 -0.876 . . . . 0.0 108.635 179.348 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 37.3 mttp -98.55 165.95 11.58 Favored 'General case' 0 N--CA 1.498 1.961 0 O-C-N 121.149 -0.97 . . . . 0.0 109.862 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 13.0 pttm -60.01 -39.98 87.67 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.399 -0.813 . . . . 0.0 109.485 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 22.7 t -61.49 -40.06 93.22 Favored 'General case' 0 C--N 1.302 -1.461 0 O-C-N 121.291 -0.881 . . . . 0.0 109.563 -179.943 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 40.0 mt-10 -60.51 -40.0 89.81 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 121.248 -0.908 . . . . 0.0 109.914 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 92.7 mt -64.76 -40.16 94.82 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.137 -0.977 . . . . 0.0 109.82 -179.558 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 2.4 tmmt? -60.06 -49.7 76.62 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 120.657 -1.277 . . . . 0.0 110.34 -179.131 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 99.7 mt-10 -69.76 -38.77 76.89 Favored 'General case' 0 C--N 1.299 -1.601 0 O-C-N 121.153 -0.967 . . . . 0.0 109.581 -179.877 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 62.3 tp -60.08 -49.41 77.78 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.486 -0.759 . . . . 0.0 111.436 -178.23 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 36' ' ' ILE . . . . . 0.458 ' O ' ' OE1' ' B' ' 39' ' ' GLU . 1.5 mp -60.11 -40.48 83.5 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.099 0 O-C-N 120.669 -1.269 . . . . 0.0 110.12 -178.239 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 67.2 m-80 -60.61 -38.33 84.35 Favored 'General case' 0 C--N 1.296 -1.74 0 O-C-N 120.505 -1.372 . . . . 0.0 109.918 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 20.7 m120 -60.29 -41.42 93.34 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.328 -0.857 . . . . 0.0 112.618 -177.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 39' ' ' GLU . . . . . 0.514 ' OE1' ' N ' ' B' ' 39' ' ' GLU . 0.0 OUTLIER -107.59 -73.4 0.69 Allowed 'General case' 0 N--CA 1.514 2.746 0 O-C-N 120.806 -1.184 . . . . 0.0 110.524 -178.546 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' B' B ' 40' ' ' LEU . . . . . 0.497 ' N ' ' OE1' ' B' ' 39' ' ' GLU . 3.0 mp -85.01 81.72 8.77 Favored 'General case' 0 N--CA 1.494 1.751 0 O-C-N 121.161 -0.962 . . . . 0.0 110.186 -178.464 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 41' ' ' SER . . . . . 0.44 ' OG ' ' N ' ' B' ' 42' ' ' HIS . 1.7 p -102.07 -52.48 3.15 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.276 -0.89 . . . . 0.0 108.695 178.881 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 42' ' ' HIS . . . . . 0.44 ' N ' ' OG ' ' B' ' 41' ' ' SER . 94.3 m-70 -70.04 -36.35 74.97 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.693 -0.63 . . . . 0.0 110.319 -179.737 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 43' ' ' PHE . . . . . 0.459 ' C ' HD12 ' B' ' 44' ' ' LEU . 64.2 m-85 -59.79 -40.25 87.66 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.059 -1.026 . . . . 0.0 109.972 -179.202 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 44' ' ' LEU . . . . . 0.511 HD12 ' N ' ' B' ' 44' ' ' LEU . 7.8 mp -99.98 14.2 31.37 Favored 'General case' 0 N--CA 1.499 2.01 0 O-C-N 121.279 -0.888 . . . . 0.0 109.318 -179.431 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 45' ' ' GLU . . . . . 0.434 ' O ' ' O ' ' B' ' 46' ' ' GLU . 64.6 mm-40 57.09 39.75 28.9 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.707 -0.62 . . . . 0.0 110.346 -179.786 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 46' ' ' GLU . . . . . 0.434 ' O ' ' O ' ' B' ' 45' ' ' GLU . 95.9 mt-10 46.75 95.83 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.129 -0.982 . . . . 0.0 110.396 178.862 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 84.3 mt -60.09 120.0 5.19 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.562 0 O-C-N 120.893 -1.129 . . . . 0.0 108.822 179.28 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -101.46 -4.35 26.99 Favored 'General case' 0 N--CA 1.499 1.997 0 O-C-N 121.356 -0.84 . . . . 0.0 110.617 -179.444 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 13.9 mm-40 -111.77 131.62 55.2 Favored 'General case' 0 N--CA 1.509 2.487 0 O-C-N 121.05 -1.032 . . . . 0.0 109.308 179.492 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 4.3 mp0 -70.13 -36.75 75.01 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 121.367 -0.833 . . . . 0.0 109.911 179.691 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 13.3 pt-20 -59.98 -33.49 72.03 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.181 -0.95 . . . . 0.0 110.269 -179.183 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 54.7 t -60.07 -40.8 84.33 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.551 0 O-C-N 120.859 -1.151 . . . . 0.0 108.77 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 54.1 t -61.75 -41.7 91.57 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.468 0 O-C-N 121.292 -0.88 . . . . 0.0 109.194 179.112 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 7.0 t0 -63.19 -41.93 99.27 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.19 -0.944 . . . . 0.0 110.129 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -60.04 -48.77 80.33 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.107 -0.995 . . . . 0.0 108.937 -179.674 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 54.7 t -65.5 -41.57 91.24 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.559 0 O-C-N 121.219 -0.926 . . . . 0.0 109.287 179.41 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 57' ' ' MET . . . . . . . . . . . . . 28.2 ttt -61.27 -40.24 93.36 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.292 -0.88 . . . . 0.0 109.549 179.83 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 14.0 tm-20 -59.94 -39.97 87.35 Favored 'General case' 0 N--CA 1.488 1.459 0 O-C-N 121.495 -0.753 . . . . 0.0 110.187 -179.735 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 95.3 m -60.23 -45.11 94.36 Favored 'General case' 0 N--CA 1.495 1.815 0 O-C-N 121.135 -0.978 . . . . 0.0 110.73 -179.287 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 60' ' ' LEU . . . . . 0.467 ' CD2' ' N ' ' B' ' 60' ' ' LEU . 3.6 mm? -68.52 -40.01 80.95 Favored 'General case' 0 N--CA 1.496 1.85 0 O-C-N 120.982 -1.074 . . . . 0.0 110.028 -179.279 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 91.0 m-20 -80.98 57.43 3.09 Favored 'General case' 0 N--CA 1.488 1.462 0 O-C-N 121.185 -0.947 . . . . 0.0 109.428 179.899 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 87.4 tt0 -60.18 -31.59 70.27 Favored 'General case' 0 C--N 1.303 -1.418 0 N-CA-C 108.293 -1.003 . . . . 0.0 108.293 179.649 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 63' ' ' ASP . . . . . 0.429 ' OD2' ' OD2' ' B' ' 65' ' ' ASP . 29.4 p30 -77.73 -11.18 59.85 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.348 -0.845 . . . . 0.0 109.29 179.482 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 68.68 29.47 72.77 Favored Glycine 0 N--CA 1.493 2.472 0 N-CA-C 110.505 -1.038 . . . . 0.0 110.505 179.061 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 65' ' ' ASP . . . . . 0.429 ' OD2' ' OD2' ' B' ' 63' ' ' ASP . 98.2 m-20 -63.01 -37.1 85.83 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.047 -1.266 . . . . 0.0 109.204 179.749 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 95.38 -7.9 69.05 Favored Glycine 0 N--CA 1.496 2.678 0 N-CA-C 109.866 -1.294 . . . . 0.0 109.866 179.871 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 64.8 mm-40 -134.9 147.56 49.86 Favored 'General case' 0 N--CA 1.498 1.967 0 O-C-N 121.316 -1.108 . . . . 0.0 109.381 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 68' ' ' CYS . . . . . . . . . . . . . 2.0 m -99.35 118.36 35.83 Favored 'General case' 0 N--CA 1.499 2.002 0 O-C-N 121.367 -0.833 . . . . 0.0 109.942 -179.554 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 2.4 p-10 -90.34 179.53 5.86 Favored 'General case' 0 N--CA 1.494 1.74 0 O-C-N 121.457 -0.777 . . . . 0.0 109.966 179.665 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 70' ' ' PHE . . . . . 0.618 ' CE2' ' CE1' ' B' ' 14' ' ' PHE . 0.2 OUTLIER -60.01 -45.19 93.55 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.425 -0.797 . . . . 0.0 110.077 -179.65 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 70.9 tp60 -60.02 -47.3 86.39 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 120.9 -1.125 . . . . 0.0 109.036 -179.248 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 85.2 mt-10 -61.68 -39.93 93.18 Favored 'General case' 0 N--CA 1.488 1.437 0 O-C-N 121.018 -1.051 . . . . 0.0 109.378 179.294 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 73' ' ' PHE . . . . . . . . . . . . . 53.3 t80 -60.04 -50.03 75.34 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 120.999 -1.063 . . . . 0.0 109.397 179.463 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 74' ' ' MET . . . . . . . . . . . . . 54.8 tpp -60.33 -40.13 89.52 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.32 -0.862 . . . . 0.0 109.462 179.392 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -59.51 -39.29 83.37 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.281 -0.887 . . . . 0.0 109.74 -178.871 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 64.6 t80 -60.0 -46.41 89.56 Favored 'General case' 0 C--N 1.302 -1.486 0 O-C-N 121.112 -0.992 . . . . 0.0 108.826 179.738 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 77' ' ' VAL . . . . . . . . . . . . . 54.2 t -63.9 -40.68 89.93 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.506 0 O-C-N 121.316 -0.865 . . . . 0.0 109.033 179.306 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 78' ' ' SER . . . . . . . . . . . . . 33.7 t -61.64 -44.34 97.16 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.321 -0.862 . . . . 0.0 110.522 -179.686 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 79' ' ' MET . . . . . . . . . . . . . 28.4 ttt -60.09 -41.21 91.99 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.22 -0.925 . . . . 0.0 110.521 -178.922 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 61.6 t -66.08 -39.93 85.8 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.571 0 O-C-N 121.307 -0.871 . . . . 0.0 109.138 -179.893 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 63.3 m -59.84 -46.84 88.02 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.383 -0.823 . . . . 0.0 110.153 -179.508 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 41.0 p -68.04 -39.95 82.97 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 120.88 -1.137 . . . . 0.0 109.672 -179.735 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 83' ' ' ALA . . . . . 0.409 ' O ' ' C ' ' B' ' 84' ' ' CYS . . . -61.66 -40.04 93.52 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.243 -0.911 . . . . 0.0 110.098 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 84' ' ' CYS . . . . . 0.409 ' C ' ' O ' ' B' ' 83' ' ' ALA . 74.7 m -39.99 159.76 0.01 OUTLIER 'General case' 0 N--CA 1.498 1.961 0 O-C-N 121.588 -0.695 . . . . 0.0 110.502 -179.15 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 85' ' ' HIS . . . . . . . . . . . . . 91.8 m-70 -94.28 96.81 9.81 Favored 'General case' 0 N--CA 1.494 1.758 0 O-C-N 121.325 -0.859 . . . . 0.0 109.742 -179.348 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 43.66 -154.77 0.02 OUTLIER 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.516 -0.74 . . . . 0.0 109.843 179.335 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 87' ' ' PHE . . . . . . . . . . . . . 51.4 p90 -87.42 132.36 34.01 Favored 'General case' 0 N--CA 1.494 1.761 0 O-C-N 121.005 -1.059 . . . . 0.0 109.369 179.758 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 5.8 m-85 . . . . . 0 N--CA 1.492 1.638 0 O-C-N 120.979 -1.075 . . . . 0.0 108.368 179.699 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 75.6 p . . . . . 0 N--CA 1.503 2.197 0 CA-C-O 121.172 0.51 . . . . 0.0 110.041 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 79.0 mm-40 -61.54 -40.0 93.09 Favored 'General case' 0 C--N 1.299 -1.61 0 O-C-N 121.025 -1.047 . . . . 0.0 110.696 -179.097 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . 0.422 HD13 ' O ' ' A' ' 3' ' ' LEU . 0.3 OUTLIER -54.3 -54.14 44.26 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 120.941 -1.099 . . . . 0.0 109.611 -178.369 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 23.0 pt-20 -64.67 -31.51 72.76 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 120.793 -1.192 . . . . 0.0 110.933 -179.495 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 22.9 tptm -60.6 -40.34 91.43 Favored 'General case' 0 N--CA 1.495 1.793 0 O-C-N 120.525 -1.359 . . . . 0.0 108.986 179.657 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -59.8 -39.88 86.47 Favored 'General case' 0 C--N 1.301 -1.533 0 O-C-N 121.528 -0.733 . . . . 0.0 109.466 -179.683 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 48.3 ttm -60.4 -41.98 94.98 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.107 -0.996 . . . . 0.0 109.46 -179.597 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 53.0 t -67.02 -40.84 86.4 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.659 0 O-C-N 121.261 -0.899 . . . . 0.0 110.15 -179.453 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.38 -45.08 95.86 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 120.992 -1.067 . . . . 0.0 110.545 -178.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 33.9 tp -59.98 -48.74 80.47 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.0 -1.062 . . . . 0.0 108.969 -179.284 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 90.5 mt -68.59 -43.63 83.34 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.528 0 O-C-N 121.299 -0.876 . . . . 0.0 109.835 -179.8 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . 0.522 ' O ' ' NE2' ' A' ' 16' ' ' GLN . 7.5 t70 -60.5 -49.2 78.49 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.403 -0.811 . . . . 0.0 110.95 -179.289 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 55.1 t -68.22 -42.38 84.62 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.549 0 O-C-N 121.222 -0.924 . . . . 0.0 109.812 -179.284 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . 0.446 ' CE1' HD21 ' A' ' 27' ' ' LEU . 16.6 t80 -60.2 -49.76 76.35 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.378 -0.826 . . . . 0.0 111.522 -179.002 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 61.4 m80 -70.61 -41.29 72.46 Favored 'General case' 0 C--N 1.3 -1.568 0 O-C-N 120.972 -1.08 . . . . 0.0 111.298 -178.546 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . 0.524 ' OE1' ' N ' ' A' ' 16' ' ' GLN . 0.8 OUTLIER -64.15 -42.01 96.94 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.004 -1.06 . . . . 0.0 110.304 -179.226 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -73.31 -38.94 65.67 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 121.323 -0.861 . . . . 0.0 109.572 -179.776 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . 0.521 ' C ' ' H ' ' A' ' 20' ' ' ARG . 91.6 p -60.98 -19.99 61.85 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 121.134 -0.979 . . . . 0.0 110.835 -179.056 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -68.44 26.98 0.27 Allowed Glycine 0 N--CA 1.492 2.431 0 N-CA-C 110.353 -1.099 . . . . 0.0 110.353 -179.702 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . 0.521 ' H ' ' C ' ' A' ' 18' ' ' SER . 14.3 mmm180 -60.26 -41.45 93.27 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 120.849 -1.383 . . . . 0.0 110.061 179.901 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.584 ' O ' ' N ' ' A' ' 23' ' ' ASP . 10.6 tp10 -157.85 103.47 1.89 Allowed 'General case' 0 N--CA 1.494 1.743 0 O-C-N 121.142 -0.974 . . . . 0.0 110.678 -179.025 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 57.94 -63.51 0.01 OUTLIER Glycine 0 N--CA 1.5 2.914 0 C-N-CA 120.96 -0.638 . . . . 0.0 111.591 178.455 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . 0.584 ' N ' ' O ' ' A' ' 21' ' ' GLU . 24.4 p-10 -61.84 129.23 39.97 Favored 'General case' 0 C--N 1.302 -1.463 0 O-C-N 120.83 -1.394 . . . . 0.0 109.802 -178.796 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 19.2 pttp -119.09 -7.75 10.29 Favored 'General case' 0 N--CA 1.496 1.851 0 O-C-N 121.719 -0.613 . . . . 0.0 110.059 -179.837 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 41.8 p-80 -136.34 17.39 3.17 Favored 'General case' 0 N--CA 1.502 2.139 0 O-C-N 121.15 -0.969 . . . . 0.0 111.127 -178.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.435 ' C ' HD22 ' A' ' 27' ' ' LEU . 19.3 ttmm -141.01 145.26 35.69 Favored 'General case' 0 N--CA 1.5 2.026 0 O-C-N 120.815 -1.178 . . . . 0.0 109.613 -179.8 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.813 HD22 ' N ' ' A' ' 27' ' ' LEU . 1.2 mm? -108.57 135.88 49.09 Favored 'General case' 0 N--CA 1.498 1.93 0 N-CA-C 108.574 -0.898 . . . . 0.0 108.574 179.277 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.437 ' H ' ' HB3' ' A' ' 31' ' ' GLU . 8.6 mtmp? -98.59 -178.96 4.16 Favored 'General case' 0 N--CA 1.496 1.832 0 O-C-N 121.485 -0.759 . . . . 0.0 109.105 179.144 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 46.9 mttp -61.32 -55.35 32.73 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.199 -0.938 . . . . 0.0 110.485 -178.733 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 58.8 m -66.58 -40.23 88.85 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.4 -0.813 . . . . 0.0 110.579 -179.022 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . 0.437 ' HB3' ' H ' ' A' ' 28' ' ' LYS . 88.6 tt0 -60.92 -40.14 92.08 Favored 'General case' 0 N--CA 1.495 1.803 0 O-C-N 121.31 -0.869 . . . . 0.0 110.989 -178.467 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.567 ' O ' HD23 ' A' ' 32' ' ' LEU . 1.6 tt -60.88 -41.72 96.57 Favored 'General case' 0 C--N 1.302 -1.457 0 O-C-N 120.995 -1.066 . . . . 0.0 109.705 -178.547 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.09 -44.44 94.79 Favored 'General case' 0 N--CA 1.495 1.795 0 O-C-N 120.568 -1.333 . . . . 0.0 110.087 -179.939 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 54.6 tp10 -61.0 -39.76 90.94 Favored 'General case' 0 N--CA 1.494 1.746 0 O-C-N 121.479 -0.763 . . . . 0.0 110.314 -179.258 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.575 ' O ' HD23 ' A' ' 35' ' ' LEU . 3.2 tt -61.23 -48.48 81.29 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.155 -0.965 . . . . 0.0 110.091 -178.728 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.473 ' O ' ' O ' ' A' ' 40' ' ' LEU . 96.8 mt -61.49 -43.13 96.31 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.68 0 O-C-N 121.235 -0.916 . . . . 0.0 111.133 -178.88 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 14.5 t-20 -62.48 -39.54 93.77 Favored 'General case' 0 N--CA 1.495 1.814 0 O-C-N 120.5 -1.375 . . . . 0.0 111.113 -178.825 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 31.9 m120 -72.44 -67.95 0.51 Allowed 'General case' 0 N--CA 1.492 1.673 0 O-C-N 120.671 -1.268 . . . . 0.0 111.886 -177.824 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 41.2 mt-10 -90.1 -79.39 0.34 Allowed 'General case' 0 N--CA 1.502 2.131 0 O-C-N 120.883 -1.136 . . . . 0.0 113.38 -177.06 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.473 ' O ' ' O ' ' A' ' 36' ' ' ILE . 0.4 OUTLIER -64.52 104.17 0.76 Allowed 'General case' 0 N--CA 1.496 1.849 0 O-C-N 120.805 -1.185 . . . . 0.0 110.69 -176.904 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 28.3 t -158.68 -16.56 0.07 Allowed 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.297 -0.877 . . . . 0.0 109.254 179.057 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 10.3 t60 -62.5 -49.69 74.37 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.395 -0.815 . . . . 0.0 110.377 -179.239 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 81.5 m-85 -70.04 -39.44 75.75 Favored 'General case' 0 N--CA 1.496 1.83 0 O-C-N 121.061 -1.024 . . . . 0.0 110.992 -179.294 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 76.2 mt -103.45 120.29 40.53 Favored 'General case' 0 N--CA 1.498 1.962 0 O-C-N 121.214 -0.929 . . . . 0.0 109.851 -178.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -107.68 -0.38 21.88 Favored 'General case' 0 N--CA 1.496 1.858 0 O-C-N 121.522 -0.736 . . . . 0.0 109.68 179.919 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 -81.25 -142.83 0.04 OUTLIER 'General case' 0 N--CA 1.499 2.002 0 O-C-N 120.928 -1.108 . . . . 0.0 110.871 -178.877 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 5.6 mt 63.06 78.76 0.07 OUTLIER 'Isoleucine or valine' 0 N--CA 1.5 2.047 0 O-C-N 121.424 -0.797 . . . . 0.0 109.212 -178.312 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 28.0 tptp -108.11 -24.31 11.61 Favored 'General case' 0 N--CA 1.5 2.046 0 O-C-N 121.439 -0.788 . . . . 0.0 110.299 -179.824 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 79.5 mm-40 -129.99 155.98 45.2 Favored 'General case' 0 N--CA 1.5 2.067 0 O-C-N 121.337 -0.852 . . . . 0.0 109.842 -179.409 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . 0.535 ' CD ' ' H ' ' A' ' 50' ' ' GLN . 8.5 mp0 -63.09 -31.0 72.04 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.549 -0.719 . . . . 0.0 109.194 179.898 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . 0.4 ' CD ' ' H ' ' A' ' 51' ' ' GLU . 13.5 mp0 -59.88 -39.42 85.25 Favored 'General case' 0 N--CA 1.494 1.746 0 O-C-N 121.157 -0.965 . . . . 0.0 109.04 179.895 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 56.0 t -59.72 -41.09 84.23 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.707 0 O-C-N 121.073 -1.017 . . . . 0.0 109.518 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 54.2 t -60.36 -40.22 83.32 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.832 0 O-C-N 121.073 -1.017 . . . . 0.0 109.313 179.633 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 9.5 t70 -59.74 -43.33 94.27 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.417 -0.802 . . . . 0.0 109.356 -178.571 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 25.1 ttpp -61.46 -40.0 92.91 Favored 'General case' 0 C--N 1.3 -1.576 0 O-C-N 121.043 -1.036 . . . . 0.0 108.36 179.258 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 53.0 t -69.88 -40.54 78.96 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.351 0 O-C-N 121.21 -0.931 . . . . 0.0 109.641 -179.918 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 12.6 tpt -60.37 -40.67 91.63 Favored 'General case' 0 N--CA 1.496 1.847 0 O-C-N 121.043 -1.035 . . . . 0.0 110.656 -179.584 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 48.2 mt-10 -61.94 -41.57 98.11 Favored 'General case' 0 N--CA 1.495 1.812 0 O-C-N 120.883 -1.135 . . . . 0.0 109.778 -179.288 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 85.3 m -70.04 -41.77 73.78 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.192 -0.942 . . . . 0.0 109.752 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.404 ' O ' ' N ' ' A' ' 62' ' ' GLU . 55.8 tp -66.87 -41.27 87.58 Favored 'General case' 0 N--CA 1.495 1.819 0 O-C-N 121.069 -1.019 . . . . 0.0 110.036 -179.354 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 37.7 t70 -71.13 62.44 0.31 Allowed 'General case' 0 N--CA 1.49 1.551 0 O-C-N 120.914 -1.116 . . . . 0.0 109.975 -179.246 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . 0.404 ' N ' ' O ' ' A' ' 60' ' ' LEU . 78.9 tt0 -69.78 -35.72 75.12 Favored 'General case' 0 N--CA 1.489 1.487 0 N-CA-C 108.864 -0.791 . . . . 0.0 108.864 178.556 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 74.9 m-20 -59.55 -26.53 65.44 Favored 'General case' 0 C--N 1.305 -1.341 0 O-C-N 121.485 -0.76 . . . . 0.0 109.591 -179.293 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 80.07 17.9 73.39 Favored Glycine 0 N--CA 1.49 2.266 0 N-CA-C 109.087 -1.605 . . . . 0.0 109.087 -179.752 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 45.2 p-10 -93.43 -12.98 28.55 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.332 -1.099 . . . . 0.0 109.38 -179.86 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 76.34 6.56 83.9 Favored Glycine 0 N--CA 1.49 2.247 0 C-N-CA 120.047 -1.073 . . . . 0.0 110.577 178.758 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 74.3 mm-40 -139.01 149.84 45.14 Favored 'General case' 0 N--CA 1.496 1.851 0 O-C-N 121.223 -1.163 . . . . 0.0 109.051 -179.86 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 43.3 t -95.64 117.79 31.12 Favored 'General case' 0 N--CA 1.5 2.053 0 O-C-N 121.052 -1.03 . . . . 0.0 109.01 179.205 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 98.1 m-20 -89.95 170.66 10.18 Favored 'General case' 0 N--CA 1.498 1.946 0 O-C-N 121.512 -0.743 . . . . 0.0 109.627 -179.437 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 70.1 t80 -59.68 -49.05 79.26 Favored 'General case' 0 N--CA 1.494 1.745 0 O-C-N 120.961 -1.087 . . . . 0.0 109.561 -179.824 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 14.8 pt20 -60.2 -40.01 88.57 Favored 'General case' 0 C--N 1.304 -1.38 0 O-C-N 121.087 -1.008 . . . . 0.0 109.124 179.636 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -66.4 -39.51 89.07 Favored 'General case' 0 N--CA 1.489 1.522 0 N-CA-C 109.223 -0.658 . . . . 0.0 109.223 179.055 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 68.7 t80 -60.45 -39.63 88.24 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.179 -0.951 . . . . 0.0 109.505 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 25.0 tpp -59.92 -40.13 87.83 Favored 'General case' 0 N--CA 1.493 1.723 0 N-CA-C 108.007 -1.109 . . . . 0.0 108.007 179.559 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -60.0 -38.29 82.18 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.448 -0.783 . . . . 0.0 110.009 179.826 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 72.8 t80 -59.6 -45.49 91.77 Favored 'General case' 0 N--CA 1.494 1.746 0 O-C-N 121.051 -1.031 . . . . 0.0 109.548 -179.48 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 55.9 t -60.1 -42.13 88.89 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.551 0 O-C-N 121.16 -0.963 . . . . 0.0 108.767 179.469 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 85.5 p -69.05 -36.7 77.98 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.317 -0.864 . . . . 0.0 109.688 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 51.8 ttm -59.73 -40.64 88.71 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 120.971 -1.081 . . . . 0.0 110.15 -179.232 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 57.0 t -66.79 -39.94 84.78 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.476 0 C-N-CA 119.044 -1.062 . . . . 0.0 109.289 -179.697 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 92.4 m -69.64 -41.89 74.99 Favored 'General case' 0 C--N 1.301 -1.519 0 O-C-N 121.285 -0.884 . . . . 0.0 110.153 -179.257 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 27.4 p -62.27 -39.48 93.08 Favored 'General case' 0 N--CA 1.495 1.798 0 O-C-N 121.192 -0.943 . . . . 0.0 110.384 -179.672 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -59.92 -42.46 93.98 Favored 'General case' 0 C--N 1.299 -1.604 0 O-C-N 121.075 -1.015 . . . . 0.0 108.637 -179.406 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 71.2 m -80.99 137.23 36.08 Favored 'General case' 0 N--CA 1.494 1.748 0 O-C-N 121.136 -0.978 . . . . 0.0 109.183 178.391 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 23.0 p-80 -71.06 168.89 16.14 Favored 'General case' 0 N--CA 1.493 1.68 0 N-CA-C 108.041 -1.096 . . . . 0.0 108.041 179.34 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 81.8 tt0 -52.27 122.08 8.05 Favored 'General case' 0 N--CA 1.488 1.429 0 O-C-N 120.767 -1.208 . . . . 0.0 108.603 -179.616 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 67.2 t80 -152.76 106.95 3.12 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.197 -0.939 . . . . 0.0 110.16 -178.872 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . 0.588 ' CG ' ' O ' ' A' ' 88' ' ' PHE . 8.3 p90 . . . . . 0 N--CA 1.491 1.578 0 CA-C-O 121.76 0.791 . . . . 0.0 109.247 179.85 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 68.2 p . . . . . 0 N--CA 1.498 1.968 0 CA-C-O 121.207 0.527 . . . . 0.0 109.956 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 77.3 mm-40 -61.11 -39.98 92.03 Favored 'General case' 0 C--N 1.3 -1.573 0 O-C-N 121.301 -0.874 . . . . 0.0 110.685 -179.487 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 3' ' ' LEU . . . . . 0.437 HD13 ' O ' ' B' ' 3' ' ' LEU . 0.2 OUTLIER -54.62 -55.04 33.66 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.02 -1.05 . . . . 0.0 109.677 -178.463 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 23.4 pt-20 -63.8 -32.17 73.59 Favored 'General case' 0 C--N 1.299 -1.596 0 O-C-N 120.686 -1.259 . . . . 0.0 110.716 -179.543 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 23.2 tptm -60.46 -40.17 90.23 Favored 'General case' 0 N--CA 1.498 1.947 0 O-C-N 120.627 -1.296 . . . . 0.0 109.052 -179.884 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -59.83 -40.04 87.13 Favored 'General case' 0 C--N 1.301 -1.537 0 O-C-N 121.277 -0.889 . . . . 0.0 109.496 -179.837 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 7' ' ' MET . . . . . . . . . . . . . 49.4 ttm -60.02 -41.04 91.32 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.11 -0.993 . . . . 0.0 109.463 -179.894 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 55.1 t -68.08 -40.15 82.59 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.618 0 O-C-N 121.158 -0.964 . . . . 0.0 110.221 -179.497 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -62.36 -44.58 96.14 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.041 -1.037 . . . . 0.0 110.433 -179.298 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 28.2 tp -59.86 -48.55 81.26 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 120.904 -1.123 . . . . 0.0 109.126 -179.368 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 96.3 mt -69.09 -42.75 81.99 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.646 0 O-C-N 121.046 -1.034 . . . . 0.0 110.063 -179.653 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 12' ' ' ASP . . . . . 0.511 ' O ' ' NE2' ' B' ' 16' ' ' GLN . 7.4 t70 -60.99 -49.82 75.88 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.483 -0.761 . . . . 0.0 111.089 -179.229 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 55.8 t -67.82 -42.11 85.66 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.511 0 O-C-N 121.359 -0.838 . . . . 0.0 109.738 -179.561 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 14' ' ' PHE . . . . . 0.451 ' CE1' HD21 ' B' ' 27' ' ' LEU . 14.6 t80 -60.39 -49.68 76.62 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.496 -0.753 . . . . 0.0 111.151 -178.828 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 57.1 m80 -70.78 -41.37 71.76 Favored 'General case' 0 C--N 1.297 -1.677 0 O-C-N 120.991 -1.068 . . . . 0.0 111.165 -178.524 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 16' ' ' GLN . . . . . 0.521 ' N ' ' OE1' ' B' ' 16' ' ' GLN . 0.9 OUTLIER -63.97 -43.0 97.08 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.087 -1.008 . . . . 0.0 110.131 -179.257 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -72.48 -38.29 68.23 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.032 -1.042 . . . . 0.0 109.781 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 18' ' ' SER . . . . . 0.53 ' C ' ' H ' ' B' ' 20' ' ' ARG . 86.8 p -61.29 -20.13 62.54 Favored 'General case' 0 N--CA 1.496 1.866 0 O-C-N 121.156 -0.965 . . . . 0.0 110.834 -178.827 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -68.58 27.53 0.28 Allowed Glycine 0 N--CA 1.493 2.48 0 O-C-N 120.868 -1.145 . . . . 0.0 110.336 -179.699 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 20' ' ' ARG . . . . . 0.53 ' H ' ' C ' ' B' ' 18' ' ' SER . 14.8 mmm180 -60.08 -41.1 91.73 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 120.984 -1.303 . . . . 0.0 109.831 179.8 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 21' ' ' GLU . . . . . 0.57 ' O ' ' N ' ' B' ' 23' ' ' ASP . 12.3 tp10 -158.71 103.6 1.73 Allowed 'General case' 0 N--CA 1.493 1.683 0 O-C-N 120.921 -1.112 . . . . 0.0 110.531 -178.912 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . 59.32 -66.78 0.01 OUTLIER Glycine 0 N--CA 1.497 2.712 0 O-C-N 121.346 -0.846 . . . . 0.0 111.457 178.438 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 23' ' ' ASP . . . . . 0.57 ' N ' ' O ' ' B' ' 21' ' ' GLU . 26.1 p-10 -59.65 129.76 43.48 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 120.919 -1.342 . . . . 0.0 109.914 -178.67 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 24' ' ' LYS . . . . . 0.445 ' O ' ' OG ' ' B' ' 18' ' ' SER . 19.3 pttp -119.17 -7.83 10.24 Favored 'General case' 0 N--CA 1.496 1.826 0 O-C-N 121.773 -0.579 . . . . 0.0 109.985 179.703 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 25' ' ' HIS . . . . . . . . . . . . . 41.4 p-80 -136.09 17.77 3.22 Favored 'General case' 0 N--CA 1.499 2.017 0 O-C-N 121.016 -1.053 . . . . 0.0 111.138 -178.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 26' ' ' LYS . . . . . 0.453 ' C ' HD22 ' B' ' 27' ' ' LEU . 18.4 ttmm -141.66 144.59 34.21 Favored 'General case' 0 N--CA 1.498 1.95 0 O-C-N 120.931 -1.106 . . . . 0.0 110.107 -179.633 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 27' ' ' LEU . . . . . 0.837 ' N ' HD22 ' B' ' 27' ' ' LEU . 1.4 mm? -107.57 135.46 48.99 Favored 'General case' 0 N--CA 1.498 1.971 0 O-C-N 121.411 -0.805 . . . . 0.0 109.068 179.249 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 28' ' ' LYS . . . . . 0.457 ' H ' ' HB3' ' B' ' 31' ' ' GLU . 8.8 mtmp? -98.82 -179.33 4.25 Favored 'General case' 0 N--CA 1.497 1.878 0 N-CA-C 108.943 -0.762 . . . . 0.0 108.943 178.849 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 48.2 mttp -60.88 -54.76 41.1 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.074 -1.017 . . . . 0.0 110.542 -178.865 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 69.7 m -67.06 -40.19 87.04 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 121.344 -0.848 . . . . 0.0 110.515 -179.024 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 31' ' ' GLU . . . . . 0.457 ' HB3' ' H ' ' B' ' 28' ' ' LYS . 88.6 tt0 -60.96 -40.49 93.55 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.343 -0.848 . . . . 0.0 110.788 -178.393 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 32' ' ' LEU . . . . . 0.541 ' O ' HD23 ' B' ' 32' ' ' LEU . 1.5 tt -60.55 -41.81 95.3 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 120.866 -1.146 . . . . 0.0 110.002 -178.412 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.4 -43.89 96.24 Favored 'General case' 0 N--CA 1.497 1.897 0 O-C-N 120.688 -1.257 . . . . 0.0 110.094 -179.872 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 54.6 tp10 -61.21 -40.26 93.31 Favored 'General case' 0 N--CA 1.494 1.761 0 O-C-N 121.355 -0.841 . . . . 0.0 109.923 -179.384 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 35' ' ' LEU . . . . . 0.58 ' O ' HD23 ' B' ' 35' ' ' LEU . 2.8 tt -60.44 -48.48 81.56 Favored 'General case' 0 N--CA 1.495 1.782 0 O-C-N 121.238 -0.913 . . . . 0.0 110.354 -179.099 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 36' ' ' ILE . . . . . 0.446 ' O ' ' O ' ' B' ' 40' ' ' LEU . 97.6 mt -62.08 -42.08 93.62 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.576 0 O-C-N 121.148 -0.97 . . . . 0.0 111.108 -178.681 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 13.5 t-20 -63.51 -39.71 95.15 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 120.781 -1.199 . . . . 0.0 110.778 -178.469 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 32.8 m120 -71.51 -67.69 0.5 Allowed 'General case' 0 N--CA 1.492 1.636 0 O-C-N 120.95 -1.094 . . . . 0.0 112.194 -177.95 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -91.26 -79.82 0.36 Allowed 'General case' 0 N--CA 1.502 2.138 0 O-C-N 120.699 -1.251 . . . . 0.0 113.388 -176.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 40' ' ' LEU . . . . . 0.446 ' O ' ' O ' ' B' ' 36' ' ' ILE . 0.4 OUTLIER -62.84 103.23 0.42 Allowed 'General case' 0 N--CA 1.496 1.84 0 O-C-N 120.986 -1.072 . . . . 0.0 110.755 -177.193 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 24.6 t -158.69 -15.61 0.07 Allowed 'General case' 0 C--N 1.299 -1.591 0 C-N-CA 119.935 -0.706 . . . . 0.0 109.343 178.836 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 42' ' ' HIS . . . . . . . . . . . . . 10.8 t60 -62.59 -49.94 73.23 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.178 -0.951 . . . . 0.0 110.264 -179.32 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 82.2 m-85 -70.29 -39.19 75.02 Favored 'General case' 0 N--CA 1.495 1.795 0 O-C-N 121.369 -0.832 . . . . 0.0 111.047 -178.899 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 85.1 mt -103.11 120.62 41.02 Favored 'General case' 0 N--CA 1.496 1.873 0 O-C-N 121.074 -1.016 . . . . 0.0 109.593 -178.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -109.11 2.93 21.44 Favored 'General case' 0 N--CA 1.497 1.895 0 O-C-N 121.423 -0.798 . . . . 0.0 109.673 179.74 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 -84.45 -142.63 0.08 Allowed 'General case' 0 N--CA 1.496 1.843 0 O-C-N 120.891 -1.131 . . . . 0.0 110.498 -178.825 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 5.1 mt 63.39 79.83 0.07 OUTLIER 'Isoleucine or valine' 0 N--CA 1.497 1.892 0 O-C-N 121.395 -0.816 . . . . 0.0 109.039 -178.351 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 27.4 tptp -109.12 -24.07 11.34 Favored 'General case' 0 N--CA 1.501 2.119 0 O-C-N 121.557 -0.714 . . . . 0.0 110.145 -179.468 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 79.3 mm-40 -130.15 156.02 45.26 Favored 'General case' 0 N--CA 1.498 1.947 0 O-C-N 121.473 -0.767 . . . . 0.0 109.703 -179.305 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 50' ' ' GLN . . . . . 0.557 ' CD ' ' H ' ' B' ' 50' ' ' GLN . 8.1 mp0 -63.35 -30.33 71.48 Favored 'General case' 0 C--N 1.302 -1.465 0 O-C-N 121.443 -0.785 . . . . 0.0 108.883 179.699 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 14.3 mp0 -60.2 -39.07 85.25 Favored 'General case' 0 N--CA 1.495 1.81 0 O-C-N 121.104 -0.997 . . . . 0.0 109.251 179.714 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 54.5 t -60.29 -40.89 85.14 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.581 0 O-C-N 121.217 -0.927 . . . . 0.0 109.35 -179.835 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 53.0 t -61.0 -39.95 83.94 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.766 0 O-C-N 121.165 -0.959 . . . . 0.0 109.385 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 8.7 t70 -59.57 -41.75 90.93 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.287 -0.883 . . . . 0.0 109.356 -178.525 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 24.2 ttpp -62.73 -39.9 95.54 Favored 'General case' 0 N--CA 1.488 1.464 0 O-C-N 121.083 -1.011 . . . . 0.0 108.364 179.066 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 79.2 t -69.98 -40.83 79.09 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.41 0 O-C-N 121.232 -0.917 . . . . 0.0 109.681 179.854 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 57' ' ' MET . . . . . . . . . . . . . 13.1 tpt -60.46 -40.13 90.1 Favored 'General case' 0 N--CA 1.496 1.83 0 O-C-N 121.131 -0.98 . . . . 0.0 110.654 -179.279 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 48.0 mt-10 -62.33 -40.72 97.29 Favored 'General case' 0 N--CA 1.495 1.816 0 O-C-N 120.795 -1.191 . . . . 0.0 110.205 -179.427 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 89.6 m -71.09 -40.31 71.62 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.529 -0.732 . . . . 0.0 110.017 -179.816 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 58.8 tp -68.69 -39.83 80.33 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.226 -0.921 . . . . 0.0 109.986 -179.706 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 37.4 t70 -72.24 62.64 0.5 Allowed 'General case' 0 N--CA 1.488 1.461 0 O-C-N 121.119 -0.988 . . . . 0.0 109.747 -179.209 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 77.4 tt0 -70.2 -34.99 73.61 Favored 'General case' 0 N--CA 1.49 1.529 0 N-CA-C 108.845 -0.798 . . . . 0.0 108.845 178.809 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 74.7 m-20 -60.14 -27.65 67.25 Favored 'General case' 0 N--CA 1.488 1.449 0 O-C-N 121.301 -0.874 . . . . 0.0 109.505 -179.522 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 81.2 17.22 72.33 Favored Glycine 0 N--CA 1.487 2.1 0 N-CA-C 108.91 -1.676 . . . . 0.0 108.91 -179.603 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 47.0 p-10 -92.3 -12.87 31.32 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.294 -1.121 . . . . 0.0 109.653 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 76.48 7.11 85.18 Favored Glycine 0 N--CA 1.491 2.309 0 C-N-CA 119.844 -1.17 . . . . 0.0 110.488 178.622 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 74.2 mm-40 -139.94 149.46 43.33 Favored 'General case' 0 N--CA 1.498 1.929 0 O-C-N 121.339 -1.095 . . . . 0.0 108.865 -179.886 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 68' ' ' CYS . . . . . . . . . . . . . 48.1 t -95.82 118.23 32.07 Favored 'General case' 0 N--CA 1.499 1.993 0 O-C-N 121.062 -1.023 . . . . 0.0 109.013 179.174 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 98.0 m-20 -89.67 170.79 10.16 Favored 'General case' 0 N--CA 1.496 1.852 0 O-C-N 121.647 -0.658 . . . . 0.0 109.714 -179.431 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 71.3 t80 -59.84 -49.17 78.76 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.104 -0.998 . . . . 0.0 109.515 -179.894 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 14.2 pt20 -60.26 -40.13 89.25 Favored 'General case' 0 C--N 1.302 -1.496 0 O-C-N 121.046 -1.034 . . . . 0.0 108.984 179.665 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 83.4 tt0 -66.13 -40.04 90.33 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.499 -0.751 . . . . 0.0 109.364 179.08 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 73' ' ' PHE . . . . . . . . . . . . . 70.9 t80 -60.06 -39.72 86.98 Favored 'General case' 0 N--CA 1.495 1.806 0 O-C-N 121.312 -0.867 . . . . 0.0 109.482 179.723 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 74' ' ' MET . . . . . . . . . . . . . 29.0 tpp -59.95 -39.71 86.49 Favored 'General case' 0 N--CA 1.495 1.808 0 N-CA-C 107.942 -1.133 . . . . 0.0 107.942 179.508 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -60.66 -37.88 83.02 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.437 -0.789 . . . . 0.0 110.023 179.653 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 73.4 t80 -59.95 -45.02 93.99 Favored 'General case' 0 N--CA 1.495 1.803 0 O-C-N 121.018 -1.051 . . . . 0.0 109.476 -179.476 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 77' ' ' VAL . . . . . . . . . . . . . 55.6 t -60.38 -41.89 88.92 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.537 0 O-C-N 121.153 -0.967 . . . . 0.0 109.022 179.384 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 78' ' ' SER . . . . . . . . . . . . . 83.9 p -69.32 -36.34 76.85 Favored 'General case' 0 C--N 1.303 -1.456 0 O-C-N 121.375 -0.828 . . . . 0.0 109.857 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 79' ' ' MET . . . . . . . . . . . . . 51.4 ttm -59.73 -41.18 90.33 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 120.986 -1.071 . . . . 0.0 110.287 -179.441 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 57.5 t -66.42 -40.31 86.26 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.406 0 O-C-N 121.055 -1.028 . . . . 0.0 109.168 -179.339 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 92.6 m -69.43 -41.4 76.37 Favored 'General case' 0 C--N 1.3 -1.545 0 O-C-N 121.226 -0.921 . . . . 0.0 110.084 -179.494 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 22.8 p -62.86 -38.97 92.96 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.222 -0.924 . . . . 0.0 110.077 -179.428 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -60.06 -42.74 95.17 Favored 'General case' 0 C--N 1.301 -1.542 0 O-C-N 121.04 -1.038 . . . . 0.0 108.483 -179.438 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 84' ' ' CYS . . . . . . . . . . . . . 73.7 m -80.67 137.48 36.32 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.368 -0.832 . . . . 0.0 108.968 178.718 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 85' ' ' HIS . . . . . . . . . . . . . 19.7 p-80 -71.65 168.9 16.71 Favored 'General case' 0 N--CA 1.494 1.752 0 O-C-N 120.885 -1.134 . . . . 0.0 108.219 179.15 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 79.7 tt0 -52.44 121.82 7.71 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 120.862 -1.149 . . . . 0.0 108.411 -179.681 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 87' ' ' PHE . . . . . . . . . . . . . 68.6 t80 -153.08 106.68 3.04 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.32 -0.863 . . . . 0.0 109.888 -178.836 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 88' ' ' PHE . . . . . 0.581 ' CG ' ' O ' ' B' ' 88' ' ' PHE . 8.1 p90 . . . . . 0 N--CA 1.494 1.737 0 O-C-N 121.313 -0.867 . . . . 0.0 109.236 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 20.9 t . . . . . 0 N--CA 1.489 1.507 0 CA-C-O 121.44 0.638 . . . . 0.0 109.93 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 39.7 tt0 -60.1 -39.93 87.89 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.444 -0.785 . . . . 0.0 109.799 -179.736 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 57.1 mt -59.95 -37.06 78.46 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.168 -0.957 . . . . 0.0 109.618 -179.453 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 83.6 tt0 -59.98 -43.79 94.89 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 120.998 -1.064 . . . . 0.0 109.157 -179.586 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 61.0 mttp -68.43 -39.98 81.34 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 120.946 -1.096 . . . . 0.0 109.108 179.713 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -61.91 -47.42 85.01 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.313 -0.867 . . . . 0.0 109.263 179.821 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 43.9 tpp -60.01 -45.7 91.91 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.292 -0.88 . . . . 0.0 108.939 179.641 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 58.9 t -69.16 -40.9 81.09 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.5 0 O-C-N 121.567 -0.708 . . . . 0.0 109.574 -179.589 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -63.32 -44.47 94.87 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.269 -0.895 . . . . 0.0 110.131 -179.591 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 56.8 tp -60.07 -49.31 78.16 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.232 -0.918 . . . . 0.0 110.161 -179.483 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 96.9 mt -66.22 -40.0 85.77 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.486 0 O-C-N 121.105 -0.997 . . . . 0.0 110.074 -179.516 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 97.5 m-20 -60.27 -40.03 88.92 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.192 -0.943 . . . . 0.0 110.742 -179.268 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 54.5 t -68.75 -41.87 82.67 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.624 0 O-C-N 120.755 -1.215 . . . . 0.0 109.394 -179.414 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 80.7 t80 -60.04 -49.99 75.48 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.179 -0.95 . . . . 0.0 110.71 -179.774 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 20.4 t60 -65.02 -45.98 83.25 Favored 'General case' 0 N--CA 1.494 1.77 0 O-C-N 121.151 -0.968 . . . . 0.0 110.532 -179.049 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 11.4 tm0? -60.0 -41.38 91.96 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.165 -0.96 . . . . 0.0 110.161 -179.16 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 1.1 t80 -69.89 -40.08 75.87 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.1 -1.0 . . . . 0.0 109.423 -179.703 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 40.6 t -60.35 -39.93 88.92 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 121.309 -0.869 . . . . 0.0 109.584 -179.909 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -76.88 -9.43 86.59 Favored Glycine 0 N--CA 1.489 2.194 0 N-CA-C 110.233 -1.147 . . . . 0.0 110.233 -179.224 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -60.71 -42.64 97.63 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 120.994 -1.298 . . . . 0.0 108.553 179.919 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.468 ' OE1' ' N ' ' A' ' 22' ' ' GLY . 1.6 tm-20 -97.75 164.61 12.32 Favored 'General case' 0 N--CA 1.5 2.054 0 O-C-N 121.135 -0.978 . . . . 0.0 108.789 179.122 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . 0.468 ' N ' ' OE1' ' A' ' 21' ' ' GLU . . . -57.07 -23.89 48.54 Favored Glycine 0 N--CA 1.491 2.312 0 N-CA-C 110.459 -1.056 . . . . 0.0 110.459 -179.662 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 96.3 m-20 -79.98 86.08 5.51 Favored 'General case' 0 N--CA 1.497 1.898 0 O-C-N 120.884 -1.362 . . . . 0.0 110.217 -179.289 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 31.2 mtmm -70.69 -39.97 73.19 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.474 -0.766 . . . . 0.0 111.089 -179.929 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -68.6 -34.29 75.53 Favored 'General case' 0 N--CA 1.498 1.955 0 O-C-N 121.268 -0.895 . . . . 0.0 112.237 -177.193 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 15.9 ptpt -149.34 170.03 19.46 Favored 'General case' 0 N--CA 1.5 2.054 0 O-C-N 120.476 -1.39 . . . . 0.0 111.567 -177.636 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 4.7 mp -110.89 139.98 45.76 Favored 'General case' 0 N--CA 1.496 1.869 0 N-CA-C 109.069 -0.715 . . . . 0.0 109.069 179.805 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 11.5 pttp -101.5 -177.86 3.56 Favored 'General case' 0 N--CA 1.502 2.16 0 O-C-N 121.343 -0.848 . . . . 0.0 110.205 -179.761 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 25.3 pttm -60.0 -39.46 85.82 Favored 'General case' 0 N--CA 1.494 1.762 0 O-C-N 121.434 -0.791 . . . . 0.0 110.643 -178.759 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 71.4 p -60.0 -43.75 94.98 Favored 'General case' 0 C--N 1.303 -1.44 0 O-C-N 121.093 -1.004 . . . . 0.0 109.658 -178.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 75.8 mt-10 -66.69 -40.84 88.68 Favored 'General case' 0 N--CA 1.488 1.457 0 O-C-N 121.182 -0.949 . . . . 0.0 109.122 179.864 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 64.9 tp -64.07 -45.19 89.86 Favored 'General case' 0 N--CA 1.488 1.427 0 O-C-N 121.444 -0.785 . . . . 0.0 109.537 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 12.5 ttmm -60.02 -48.49 81.47 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.314 -0.866 . . . . 0.0 109.718 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 81.5 tt0 -62.25 -39.98 94.65 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.462 -0.774 . . . . 0.0 110.24 -179.534 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.468 ' O ' HD23 ' A' ' 35' ' ' LEU . 1.4 tt -54.1 -42.02 68.94 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.181 -0.95 . . . . 0.0 109.123 -178.574 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.476 ' O ' ' O ' ' A' ' 39' ' ' GLU . 44.1 mm -63.52 -40.87 90.66 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.59 0 O-C-N 120.976 -1.078 . . . . 0.0 109.581 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 41.1 t30 -61.0 -41.15 95.96 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 120.791 -1.193 . . . . 0.0 110.735 -179.588 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 33.0 m120 -78.91 -55.14 5.37 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.054 -1.029 . . . . 0.0 110.355 -179.096 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . 0.476 ' O ' ' O ' ' A' ' 36' ' ' ILE . 19.6 mp0 -109.86 171.51 7.41 Favored 'General case' 0 N--CA 1.503 2.212 0 O-C-N 121.367 -0.833 . . . . 0.0 109.055 179.405 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 43.7 mt 54.13 7.91 0.15 Allowed 'General case' 0 N--CA 1.488 1.455 0 O-C-N 121.599 -0.688 . . . . 0.0 110.027 179.491 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . 0.43 ' O ' ' O ' ' A' ' 44' ' ' LEU . 78.8 p -64.19 -39.99 95.16 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 120.936 -1.102 . . . . 0.0 109.534 179.762 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 76.6 m80 -69.98 -39.95 75.65 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.06 -1.025 . . . . 0.0 109.148 179.339 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . 0.487 ' C ' HD12 ' A' ' 44' ' ' LEU . 80.9 m-85 -69.08 -39.12 79.26 Favored 'General case' 0 C--N 1.302 -1.467 0 N-CA-C 108.819 -0.808 . . . . 0.0 108.819 -179.758 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.487 HD12 ' C ' ' A' ' 43' ' ' PHE . 10.3 mp -115.68 118.77 34.0 Favored 'General case' 0 N--CA 1.501 2.081 0 N-CA-C 108.514 -0.921 . . . . 0.0 108.514 179.363 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 20.8 pt-20 -133.95 30.44 3.68 Favored 'General case' 0 N--CA 1.501 2.08 0 O-C-N 121.144 -0.973 . . . . 0.0 110.48 -179.632 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 62.0 tt0 -137.0 44.0 2.34 Favored 'General case' 0 N--CA 1.499 1.978 0 O-C-N 121.163 -0.961 . . . . 0.0 109.165 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 7.2 mm -109.68 124.72 66.63 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.034 0 O-C-N 121.526 -0.734 . . . . 0.0 109.434 -179.888 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 30.4 ttmt -156.24 -35.56 0.08 Allowed 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.273 -0.892 . . . . 0.0 109.412 179.385 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 77.6 mt-10 -99.78 140.0 34.62 Favored 'General case' 0 N--CA 1.496 1.847 0 O-C-N 121.216 -0.927 . . . . 0.0 109.337 -179.804 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . 0.778 ' H ' ' NE2' ' A' ' 50' ' ' GLN . 0.0 OUTLIER -69.73 -21.19 63.49 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.222 -0.924 . . . . 0.0 109.791 -179.748 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 57.4 mm-40 -59.89 -40.14 87.74 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.304 -0.872 . . . . 0.0 109.145 -179.829 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 78.4 t -64.37 -47.44 89.52 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.412 0 O-C-N 121.202 -0.936 . . . . 0.0 108.727 179.19 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 62.1 t -64.46 -47.42 89.4 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.494 0 O-C-N 121.485 -0.759 . . . . 0.0 109.052 179.816 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 7.1 t70 -59.98 -46.88 87.99 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.394 -0.816 . . . . 0.0 110.021 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 86.2 tttt -60.02 -45.67 92.02 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.195 -0.94 . . . . 0.0 109.334 -179.624 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 54.4 t -60.82 -43.9 96.45 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.458 0 O-C-N 121.31 -0.869 . . . . 0.0 109.288 179.302 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 50.5 ttm -60.03 -46.3 89.98 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.309 -0.869 . . . . 0.0 109.447 179.808 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 86.9 tt0 -60.32 -41.57 93.78 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.294 -0.879 . . . . 0.0 109.446 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 99.4 m -68.16 -40.54 82.3 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.346 -0.846 . . . . 0.0 109.562 179.524 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 6.4 tp -75.71 -30.93 59.45 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.349 -0.845 . . . . 0.0 110.125 -179.624 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 97.6 m-20 -58.54 125.51 23.66 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.029 -1.044 . . . . 0.0 109.524 -178.919 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 78.5 mm-40 -96.57 -34.37 11.46 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.353 -0.842 . . . . 0.0 108.757 179.486 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 34.4 p-10 -104.0 -6.41 21.24 Favored 'General case' 0 N--CA 1.497 1.887 0 O-C-N 121.475 -0.765 . . . . 0.0 110.389 -179.668 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 70.1 37.75 72.92 Favored Glycine 0 N--CA 1.493 2.472 0 C-N-CA 119.757 -1.211 . . . . 0.0 110.604 179.417 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 45.2 p-10 -80.22 -12.46 59.63 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 120.837 -1.39 . . . . 0.0 109.464 179.93 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 75.69 9.56 84.85 Favored Glycine 0 N--CA 1.493 2.497 0 C-N-CA 120.212 -0.995 . . . . 0.0 110.865 178.858 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 49.9 mt-10 -143.69 160.31 40.93 Favored 'General case' 0 N--CA 1.497 1.914 0 O-C-N 120.931 -1.335 . . . . 0.0 109.75 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 14.6 t -89.05 106.5 18.47 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.356 -0.84 . . . . 0.0 108.996 179.701 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 94.8 m-20 -90.89 -176.89 4.8 Favored 'General case' 0 N--CA 1.491 1.607 0 N-CA-C 109.323 -0.621 . . . . 0.0 109.323 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 2.8 t80 -60.0 -41.03 91.21 Favored 'General case' 0 C--N 1.302 -1.487 0 O-C-N 121.212 -0.93 . . . . 0.0 109.245 -179.098 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -69.94 -40.09 75.7 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.104 -0.998 . . . . 0.0 109.96 179.455 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 54.9 mm-40 -59.98 -41.41 91.92 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.088 -1.007 . . . . 0.0 109.403 -179.894 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 62.9 t80 -60.29 -44.54 95.28 Favored 'General case' 0 C--N 1.304 -1.399 0 O-C-N 121.201 -0.937 . . . . 0.0 108.753 179.58 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' MET . . . . . 0.476 ' SD ' HG21 ' B' ' 81' ' ' THR . 11.4 tpt -63.07 -40.08 96.62 Favored 'General case' 0 N--CA 1.488 1.455 0 O-C-N 121.588 -0.695 . . . . 0.0 109.271 179.848 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -61.28 -40.8 95.45 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.37 -0.831 . . . . 0.0 109.949 -179.688 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 62.5 t80 -59.95 -45.99 90.87 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.221 -0.924 . . . . 0.0 109.872 -179.348 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 69.8 t -63.1 -40.02 87.44 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.657 0 O-C-N 121.166 -0.959 . . . . 0.0 109.493 179.929 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 47.0 t -59.95 -40.04 87.6 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.292 -0.88 . . . . 0.0 110.515 -179.173 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 98.4 mmm -59.98 -44.11 94.69 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 120.973 -1.079 . . . . 0.0 109.369 -179.164 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 54.5 t -70.01 -43.51 79.2 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.552 0 O-C-N 121.218 -0.926 . . . . 0.0 109.39 179.488 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . 0.447 HG21 ' SD ' ' B' ' 74' ' ' MET . 94.6 m -60.87 -42.12 97.27 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.535 -0.728 . . . . 0.0 111.234 -179.039 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 64.5 p -69.98 -28.55 65.62 Favored 'General case' 0 C--N 1.299 -1.612 0 O-C-N 120.822 -1.174 . . . . 0.0 109.79 -179.245 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -73.23 -19.55 61.06 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.308 -0.87 . . . . 0.0 110.927 -179.437 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 84' ' ' CYS . . . . . 0.55 ' SG ' ' O ' ' A' ' 84' ' ' CYS . 19.0 p -65.93 105.4 1.31 Allowed 'General case' 0 N--CA 1.493 1.696 0 O-C-N 120.734 -1.229 . . . . 0.0 110.38 -178.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 64.3 m-70 -103.54 57.18 0.74 Allowed 'General case' 0 N--CA 1.497 1.876 0 O-C-N 121.253 -0.905 . . . . 0.0 108.634 179.326 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 77.3 mm-40 58.6 19.95 7.18 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.723 -0.611 . . . . 0.0 109.443 -179.638 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 1.4 m-85 -87.32 -10.82 51.25 Favored 'General case' 0 N--CA 1.496 1.841 0 N-CA-C 108.674 -0.862 . . . . 0.0 108.674 179.336 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 28.7 m-85 . . . . . 0 N--CA 1.491 1.603 0 O-C-N 121.435 -0.79 . . . . 0.0 109.149 179.822 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 20.1 t . . . . . 0 N--CA 1.489 1.513 0 CA-C-O 121.494 0.664 . . . . 0.0 109.883 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 39.7 tt0 -60.03 -39.89 87.45 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.374 -0.828 . . . . 0.0 109.761 -179.781 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 56.6 mt -59.99 -36.98 78.35 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.274 -0.891 . . . . 0.0 109.58 -179.322 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 83.5 tt0 -59.93 -43.94 94.63 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 120.969 -1.082 . . . . 0.0 109.099 -179.564 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 61.1 mttp -68.25 -40.04 82.08 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.026 -1.046 . . . . 0.0 109.204 179.622 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -61.84 -47.7 83.86 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.306 -0.871 . . . . 0.0 109.238 179.766 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 7' ' ' MET . . . . . . . . . . . . . 45.1 tpp -60.09 -45.7 92.06 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.234 -0.916 . . . . 0.0 108.945 179.691 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 60.5 t -69.0 -40.99 81.56 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.484 0 O-C-N 121.541 -0.725 . . . . 0.0 109.593 -179.703 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -63.29 -44.48 94.91 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.273 -0.892 . . . . 0.0 110.165 -179.595 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 56.9 tp -60.02 -49.5 77.41 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.241 -0.912 . . . . 0.0 110.036 -179.504 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 97.4 mt -66.07 -39.91 85.77 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.539 0 O-C-N 121.218 -0.926 . . . . 0.0 110.118 -179.331 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 97.4 m-20 -60.29 -40.15 89.42 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.204 -0.935 . . . . 0.0 110.781 -179.252 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 53.1 t -68.71 -41.99 82.85 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.57 0 O-C-N 120.759 -1.213 . . . . 0.0 109.39 -179.484 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 14' ' ' PHE . . . . . . . . . . . . . 79.9 t80 -60.02 -49.98 75.53 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.198 -0.939 . . . . 0.0 110.675 -179.79 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 20.0 t60 -64.87 -45.95 83.88 Favored 'General case' 0 N--CA 1.494 1.739 0 O-C-N 121.032 -1.042 . . . . 0.0 110.552 -179.127 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 11.5 tm0? -60.08 -41.25 92.04 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.218 -0.926 . . . . 0.0 110.179 -179.092 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 1.1 t80 -70.19 -39.98 74.9 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.206 -0.934 . . . . 0.0 109.373 -179.737 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 41.4 t -60.33 -40.01 89.1 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.197 -0.939 . . . . 0.0 109.589 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -76.57 -9.94 85.96 Favored Glycine 0 N--CA 1.49 2.243 0 N-CA-C 110.141 -1.184 . . . . 0.0 110.141 -179.185 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -60.15 -43.14 95.99 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.091 -1.241 . . . . 0.0 108.685 179.905 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 21' ' ' GLU . . . . . 0.456 ' OE1' ' N ' ' B' ' 22' ' ' GLY . 1.6 tm-20 -97.48 164.75 12.31 Favored 'General case' 0 N--CA 1.499 2.0 0 O-C-N 121.09 -1.007 . . . . 0.0 108.895 179.18 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 22' ' ' GLY . . . . . 0.456 ' N ' ' OE1' ' B' ' 21' ' ' GLU . . . -57.01 -24.16 49.37 Favored Glycine 0 N--CA 1.492 2.383 0 N-CA-C 110.417 -1.073 . . . . 0.0 110.417 -179.745 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 96.1 m-20 -80.13 86.18 5.6 Favored 'General case' 0 N--CA 1.497 1.885 0 O-C-N 120.881 -1.364 . . . . 0.0 110.181 -179.2 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 32.2 mtmm -70.63 -39.91 73.44 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.609 -0.682 . . . . 0.0 111.07 179.92 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 25' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -68.54 -34.28 75.57 Favored 'General case' 0 N--CA 1.496 1.873 0 O-C-N 121.279 -0.888 . . . . 0.0 112.194 -177.197 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 16.2 ptpt -149.39 169.91 19.77 Favored 'General case' 0 N--CA 1.5 2.055 0 O-C-N 120.42 -1.425 . . . . 0.0 111.579 -177.582 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 4.7 mp -110.86 139.86 45.82 Favored 'General case' 0 N--CA 1.495 1.781 0 N-CA-C 109.095 -0.706 . . . . 0.0 109.095 179.93 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 11.7 pttp -101.56 -177.87 3.56 Favored 'General case' 0 N--CA 1.502 2.125 0 O-C-N 121.283 -0.885 . . . . 0.0 110.246 -179.777 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 25.6 pttm -59.91 -39.34 85.11 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.382 -0.824 . . . . 0.0 110.618 -178.855 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 82.7 p -59.98 -43.87 94.86 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.012 -1.055 . . . . 0.0 109.656 -179.05 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 77.1 mt-10 -66.72 -40.64 88.48 Favored 'General case' 0 N--CA 1.488 1.451 0 O-C-N 121.155 -0.966 . . . . 0.0 109.161 179.869 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 59.8 tp -64.24 -45.49 87.94 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 121.555 -0.716 . . . . 0.0 109.281 -179.801 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 12.9 ttmm -60.02 -48.36 82.04 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.218 -0.926 . . . . 0.0 109.774 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 82.3 tt0 -62.31 -40.03 94.99 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.378 -0.826 . . . . 0.0 110.206 -179.581 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 35' ' ' LEU . . . . . 0.436 ' O ' HD23 ' B' ' 35' ' ' LEU . 1.4 tt -54.05 -41.85 68.59 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.249 -0.907 . . . . 0.0 109.307 -178.68 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 36' ' ' ILE . . . . . 0.477 ' O ' ' O ' ' B' ' 39' ' ' GLU . 37.3 mm -63.92 -40.49 89.25 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.658 0 O-C-N 120.897 -1.127 . . . . 0.0 109.56 179.934 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 41.5 t30 -61.07 -41.02 95.85 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 120.895 -1.128 . . . . 0.0 110.629 -179.572 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 32.7 m120 -79.08 -55.1 5.37 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.039 -1.038 . . . . 0.0 110.278 -179.033 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 39' ' ' GLU . . . . . 0.477 ' O ' ' O ' ' B' ' 36' ' ' ILE . 19.3 mp0 -109.81 171.44 7.44 Favored 'General case' 0 N--CA 1.504 2.244 0 O-C-N 121.382 -0.824 . . . . 0.0 109.061 179.451 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 45.2 mt 54.05 7.88 0.14 Allowed 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.622 -0.674 . . . . 0.0 110.049 179.556 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 41' ' ' SER . . . . . 0.433 ' O ' ' O ' ' B' ' 44' ' ' LEU . 80.9 p -64.02 -40.04 95.45 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 120.956 -1.09 . . . . 0.0 109.472 179.91 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 42' ' ' HIS . . . . . . . . . . . . . 76.8 m80 -69.96 -39.89 75.74 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.115 -0.991 . . . . 0.0 109.296 179.287 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 43' ' ' PHE . . . . . 0.49 ' C ' HD12 ' B' ' 44' ' ' LEU . 79.7 m-85 -69.12 -39.25 79.03 Favored 'General case' 0 C--N 1.302 -1.499 0 N-CA-C 108.718 -0.845 . . . . 0.0 108.718 -179.726 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 44' ' ' LEU . . . . . 0.49 HD12 ' C ' ' B' ' 43' ' ' PHE . 10.4 mp -115.48 118.65 33.76 Favored 'General case' 0 N--CA 1.502 2.143 0 N-CA-C 108.504 -0.924 . . . . 0.0 108.504 179.395 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 20.8 pt-20 -133.87 30.39 3.71 Favored 'General case' 0 N--CA 1.501 2.115 0 O-C-N 121.21 -0.931 . . . . 0.0 110.435 -179.628 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 61.3 tt0 -137.06 43.77 2.35 Favored 'General case' 0 N--CA 1.498 1.94 0 O-C-N 121.142 -0.974 . . . . 0.0 109.313 -179.937 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 7.2 mm -109.68 124.56 66.5 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.032 0 O-C-N 121.474 -0.766 . . . . 0.0 109.467 -179.903 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 31.5 ttmt -155.78 -35.46 0.09 Allowed 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.252 -0.905 . . . . 0.0 109.55 179.386 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 80.2 mt-10 -99.84 139.94 34.77 Favored 'General case' 0 N--CA 1.496 1.835 0 O-C-N 121.297 -0.877 . . . . 0.0 109.252 -179.753 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 50' ' ' GLN . . . . . 0.765 ' NE2' ' H ' ' B' ' 50' ' ' GLN . 0.0 OUTLIER -69.72 -21.07 63.51 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.289 -0.882 . . . . 0.0 109.825 -179.708 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 56.7 mm-40 -60.0 -39.98 87.63 Favored 'General case' 0 N--CA 1.488 1.438 0 O-C-N 121.189 -0.944 . . . . 0.0 109.186 -179.884 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 73.2 t -64.55 -47.43 89.14 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.467 0 C-N-CA 119.477 -0.889 . . . . 0.0 108.73 179.189 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 53.3 t -64.43 -47.37 89.69 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.494 0 O-C-N 121.456 -0.777 . . . . 0.0 109.081 179.717 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 7.0 t70 -60.05 -46.63 88.9 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.326 -0.859 . . . . 0.0 110.094 179.893 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 86.2 tttt -60.06 -46.04 90.88 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.047 -1.033 . . . . 0.0 109.223 -179.607 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 55.0 t -60.64 -43.97 95.94 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.47 0 O-C-N 121.363 -0.835 . . . . 0.0 109.269 179.324 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 57' ' ' MET . . . . . . . . . . . . . 53.4 ttm -59.87 -46.24 89.93 Favored 'General case' 0 N--CA 1.488 1.463 0 O-C-N 121.299 -0.875 . . . . 0.0 109.451 179.827 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 86.7 tt0 -60.38 -41.6 94.1 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.155 -0.966 . . . . 0.0 109.406 179.924 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 99.1 m -68.25 -40.24 82.01 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.292 -0.88 . . . . 0.0 109.627 179.63 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 6.1 tp -75.77 -31.09 59.35 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.363 -0.835 . . . . 0.0 110.132 -179.748 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 97.6 m-20 -58.39 125.45 23.37 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.099 -1.001 . . . . 0.0 109.545 -178.91 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 78.6 mm-40 -96.45 -34.4 11.52 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.31 -0.869 . . . . 0.0 108.857 179.408 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 63' ' ' ASP . . . . . 0.406 ' OD1' ' N ' ' B' ' 63' ' ' ASP . 34.5 p-10 -103.94 -6.4 21.32 Favored 'General case' 0 N--CA 1.496 1.854 0 O-C-N 121.551 -0.718 . . . . 0.0 110.37 -179.735 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 69.97 37.9 74.31 Favored Glycine 0 N--CA 1.494 2.51 0 C-N-CA 119.812 -1.185 . . . . 0.0 110.536 179.46 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 44.8 p-10 -80.21 -12.55 59.63 Favored 'General case' 0 N--CA 1.494 1.748 0 O-C-N 120.824 -1.398 . . . . 0.0 109.538 179.816 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 75.83 9.32 85.07 Favored Glycine 0 N--CA 1.492 2.4 0 C-N-CA 120.288 -0.958 . . . . 0.0 110.943 178.891 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 50.0 mt-10 -143.59 160.61 40.34 Favored 'General case' 0 N--CA 1.499 1.984 0 O-C-N 120.924 -1.339 . . . . 0.0 109.818 179.902 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 68' ' ' CYS . . . . . . . . . . . . . 11.5 t -88.91 106.45 18.41 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.299 -0.876 . . . . 0.0 109.033 179.705 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 95.0 m-20 -91.09 -176.81 4.72 Favored 'General case' 0 N--CA 1.493 1.688 0 N-CA-C 109.204 -0.665 . . . . 0.0 109.204 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 2.7 t80 -59.98 -41.25 91.62 Favored 'General case' 0 N--CA 1.488 1.456 0 O-C-N 121.199 -0.938 . . . . 0.0 109.258 -179.033 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -69.77 -40.03 76.32 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.198 -0.939 . . . . 0.0 110.013 179.521 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 54.5 mm-40 -59.99 -41.53 92.27 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.033 -1.042 . . . . 0.0 109.452 -179.933 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 73' ' ' PHE . . . . . . . . . . . . . 62.8 t80 -60.25 -44.44 95.26 Favored 'General case' 0 N--CA 1.488 1.43 0 O-C-N 121.199 -0.938 . . . . 0.0 108.729 179.46 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 74' ' ' MET . . . . . 0.447 ' SD ' HG21 ' A' ' 81' ' ' THR . 12.6 tpt -63.04 -40.08 96.64 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.569 -0.707 . . . . 0.0 109.275 179.861 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -61.37 -40.84 95.79 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.34 -0.85 . . . . 0.0 110.045 -179.714 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 64.8 t80 -60.06 -45.85 91.52 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.238 -0.914 . . . . 0.0 109.777 -179.299 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 77' ' ' VAL . . . . . . . . . . . . . 71.0 t -63.15 -39.96 87.23 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.667 0 O-C-N 121.111 -0.993 . . . . 0.0 109.571 179.858 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 78' ' ' SER . . . . . . . . . . . . . 44.1 t -59.96 -40.07 87.79 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.337 -0.852 . . . . 0.0 110.384 -179.234 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 79' ' ' MET . . . . . . . . . . . . . 98.7 mmm -59.95 -44.18 94.55 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 120.895 -1.128 . . . . 0.0 109.38 -179.089 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 54.4 t -69.96 -43.48 79.37 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.576 0 O-C-N 121.145 -0.972 . . . . 0.0 109.552 179.272 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 81' ' ' THR . . . . . 0.476 HG21 ' SD ' ' A' ' 74' ' ' MET . 94.5 m -60.89 -42.0 97.13 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.532 -0.73 . . . . 0.0 111.233 -178.931 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 49.1 p -69.99 -28.6 65.66 Favored 'General case' 0 C--N 1.3 -1.57 0 O-C-N 120.757 -1.214 . . . . 0.0 109.887 -179.393 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -72.81 -20.04 61.22 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.36 -0.837 . . . . 0.0 110.866 -179.423 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 84' ' ' CYS . . . . . 0.542 ' SG ' ' O ' ' B' ' 84' ' ' CYS . 19.2 p -65.77 105.55 1.3 Allowed 'General case' 0 N--CA 1.494 1.756 0 O-C-N 120.754 -1.216 . . . . 0.0 110.388 -178.804 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 85' ' ' HIS . . . . . . . . . . . . . 64.3 m-70 -103.79 57.26 0.73 Allowed 'General case' 0 N--CA 1.497 1.892 0 O-C-N 121.219 -0.926 . . . . 0.0 108.56 179.305 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 77.9 mm-40 58.54 19.98 7.14 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.675 -0.641 . . . . 0.0 109.377 -179.625 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 87' ' ' PHE . . . . . . . . . . . . . 1.4 m-85 -87.38 -10.89 50.88 Favored 'General case' 0 N--CA 1.494 1.752 0 O-C-N 121.207 -0.933 . . . . 0.0 108.661 179.437 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 29.0 m-85 . . . . . 0 N--CA 1.49 1.573 0 O-C-N 121.326 -0.859 . . . . 0.0 109.216 179.815 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 18.9 p . . . . . 0 N--CA 1.499 2.003 0 CA-C-O 121.451 0.643 . . . . 0.0 109.652 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 75.9 mm-40 -63.21 -39.9 95.95 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.552 -0.717 . . . . 0.0 109.644 179.839 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -59.88 -39.92 86.93 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.342 -0.849 . . . . 0.0 109.632 -178.789 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 51.1 tp10 -60.06 -45.15 93.83 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 120.759 -1.213 . . . . 0.0 109.092 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 9.5 mtmp? -67.26 -34.16 76.86 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.149 -0.969 . . . . 0.0 109.071 179.2 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -59.91 -40.12 87.74 Favored 'General case' 0 N--CA 1.487 1.424 0 O-C-N 121.345 -0.847 . . . . 0.0 109.497 -179.413 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 4.0 tpt -60.0 -47.48 85.65 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.04 -1.037 . . . . 0.0 108.728 179.522 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 53.0 t -69.77 -40.1 78.7 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.587 0 O-C-N 121.38 -0.825 . . . . 0.0 108.946 179.679 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.95 -40.06 91.88 Favored 'General case' 0 N--CA 1.488 1.454 0 O-C-N 121.601 -0.687 . . . . 0.0 110.214 -179.763 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 22.1 tp -59.97 -49.95 75.65 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.054 -1.029 . . . . 0.0 110.01 -178.305 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 97.8 mt -70.1 -46.13 73.72 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.808 0 O-C-N 120.855 -1.153 . . . . 0.0 110.632 -179.517 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 59.9 t0 -60.73 -48.36 82.13 Favored 'General case' 0 N--CA 1.494 1.755 0 O-C-N 120.941 -1.1 . . . . 0.0 110.063 -179.156 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 54.7 t -60.48 -39.0 79.83 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.632 0 O-C-N 121.441 -0.787 . . . . 0.0 109.998 -179.889 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 26.3 t80 -59.84 -49.96 75.67 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.156 -0.965 . . . . 0.0 110.463 -178.549 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 50.0 m-70 -74.94 -41.84 58.85 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 120.68 -1.263 . . . . 0.0 111.01 -179.54 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 7.3 tt0 -59.99 -50.67 72.82 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 120.896 -1.127 . . . . 0.0 110.739 -178.633 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 9.9 m-85 -71.12 -42.6 69.03 Favored 'General case' 0 N--CA 1.495 1.794 0 O-C-N 120.995 -1.066 . . . . 0.0 109.794 -179.842 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . 0.424 ' OG ' ' O ' ' A' ' 23' ' ' ASP . 19.8 t -69.98 -39.99 75.61 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.393 -0.817 . . . . 0.0 110.616 -179.321 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -70.82 -9.38 65.79 Favored Glycine 0 N--CA 1.491 2.348 0 C-N-CA 120.239 -0.981 . . . . 0.0 111.1 -178.683 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 14.5 ttp180 -60.21 -39.96 88.42 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 120.552 -1.558 . . . . 0.0 109.592 -179.642 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 99.4 mt-10 -132.83 82.96 2.03 Favored 'General case' 0 N--CA 1.499 1.983 0 O-C-N 121.336 -0.852 . . . . 0.0 109.933 -179.587 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 44.68 -163.21 0.07 OUTLIER Glycine 0 N--CA 1.493 2.491 0 N-CA-C 109.995 -1.242 . . . . 0.0 109.995 179.346 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . 0.424 ' O ' ' OG ' ' A' ' 18' ' ' SER . 74.0 m-20 50.08 39.87 20.22 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.285 -1.127 . . . . 0.0 108.714 179.934 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 14.8 ptmt -62.07 -33.78 75.05 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.536 -0.728 . . . . 0.0 111.199 -178.936 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' HIS . . . . . 0.465 ' CG ' ' O ' ' A' ' 25' ' ' HIS . 44.0 t-80 -99.27 4.83 46.69 Favored 'General case' 0 N--CA 1.499 2.005 0 O-C-N 121.002 -1.062 . . . . 0.0 110.708 -179.067 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 87.1 mttt -141.38 157.39 45.25 Favored 'General case' 0 N--CA 1.502 2.169 0 O-C-N 121.016 -1.052 . . . . 0.0 110.713 -179.028 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 85.0 mt -115.9 115.45 26.23 Favored 'General case' 0 N--CA 1.501 2.115 0 N-CA-C 108.606 -0.887 . . . . 0.0 108.606 178.818 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.413 ' HG2' ' H ' ' A' ' 29' ' ' LYS . 54.9 tttp -95.28 169.25 10.22 Favored 'General case' 0 N--CA 1.496 1.859 0 O-C-N 121.127 -0.983 . . . . 0.0 108.947 179.952 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.413 ' H ' ' HG2' ' A' ' 28' ' ' LYS . 7.8 ptpp? -56.47 -38.98 72.44 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 120.905 -1.122 . . . . 0.0 110.126 -179.05 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 35.1 t -60.73 -46.02 92.04 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 120.842 -1.161 . . . . 0.0 109.933 -179.814 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 8.6 mm-40 -69.64 -39.97 76.8 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.316 -0.865 . . . . 0.0 110.018 -179.443 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 8.5 tt -62.0 -40.09 94.44 Favored 'General case' 0 N--CA 1.494 1.751 0 O-C-N 121.153 -0.967 . . . . 0.0 109.712 -179.686 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 61.9 tttm -59.92 -39.94 87.19 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.354 -0.841 . . . . 0.0 110.323 -179.238 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 3.4 tm-20 -59.95 -40.0 87.53 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 120.933 -1.104 . . . . 0.0 109.372 -178.691 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 87.7 mt -60.26 -38.15 82.64 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.305 -0.872 . . . . 0.0 110.111 179.762 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.444 ' O ' ' O ' ' A' ' 39' ' ' GLU . 47.2 mm -60.01 -50.05 81.63 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.797 0 O-C-N 121.36 -0.838 . . . . 0.0 111.153 -177.925 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . 0.438 ' O ' ' OG ' ' A' ' 41' ' ' SER . 61.5 m-20 -61.71 -40.04 93.63 Favored 'General case' 0 N--CA 1.494 1.772 0 O-C-N 120.508 -1.37 . . . . 0.0 110.023 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 28.6 t-20 -79.88 -41.95 25.17 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.009 -1.057 . . . . 0.0 110.344 179.912 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . 0.444 ' O ' ' O ' ' A' ' 36' ' ' ILE . 87.9 tt0 -122.04 157.09 32.15 Favored 'General case' 0 N--CA 1.502 2.129 0 O-C-N 121.451 -0.78 . . . . 0.0 110.438 -178.653 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 9.1 mt 58.57 20.25 7.44 Favored 'General case' 0 N--CA 1.494 1.74 0 O-C-N 121.713 -0.617 . . . . 0.0 110.278 179.068 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . 0.438 ' OG ' ' O ' ' A' ' 37' ' ' ASN . 55.1 m -70.39 -41.26 73.25 Favored 'General case' 0 C--N 1.3 -1.572 0 O-C-N 121.001 -1.062 . . . . 0.0 109.907 179.788 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 15.7 t60 -97.21 -43.27 7.43 Favored 'General case' 0 N--CA 1.497 1.903 0 O-C-N 121.264 -0.897 . . . . 0.0 110.889 -178.719 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -59.97 -42.48 94.24 Favored 'General case' 0 N--CA 1.495 1.78 0 O-C-N 120.966 -1.084 . . . . 0.0 110.174 -179.24 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 47.6 tp -95.2 150.67 19.97 Favored 'General case' 0 N--CA 1.498 1.926 0 O-C-N 120.994 -1.066 . . . . 0.0 108.996 -179.596 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . 0.447 ' OE1' ' O ' ' A' ' 46' ' ' GLU . 12.4 tm-20 -54.05 137.98 38.53 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.173 -0.954 . . . . 0.0 109.067 -179.414 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . 0.447 ' O ' ' OE1' ' A' ' 45' ' ' GLU . 51.5 mt-10 -63.66 133.62 53.96 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.251 -0.905 . . . . 0.0 109.997 -179.207 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 87.2 mt -108.23 124.89 64.87 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.957 0 O-C-N 121.449 -0.782 . . . . 0.0 109.24 179.361 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 32.2 ttmt -107.2 -28.5 9.9 Favored 'General case' 0 N--CA 1.496 1.844 0 O-C-N 121.579 -0.701 . . . . 0.0 109.457 -179.897 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . 0.482 ' CD ' ' H ' ' A' ' 49' ' ' GLU . 1.0 OUTLIER -102.12 135.74 43.17 Favored 'General case' 0 N--CA 1.496 1.858 0 O-C-N 121.38 -0.825 . . . . 0.0 109.909 -179.334 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 94.0 mt-30 -70.07 -19.39 63.28 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.612 -0.68 . . . . 0.0 109.544 179.736 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 88.9 tt0 -59.92 -39.48 85.61 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.456 -0.778 . . . . 0.0 109.666 -179.4 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 73.9 t -60.08 -40.12 82.38 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.489 0 O-C-N 121.128 -0.982 . . . . 0.0 109.052 -179.39 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 54.5 t -65.93 -42.3 91.63 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.544 0 O-C-N 121.14 -0.975 . . . . 0.0 109.351 179.571 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 79.2 m-20 -60.1 -44.1 95.09 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.233 -0.917 . . . . 0.0 110.365 -179.598 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -62.7 -40.65 97.79 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.104 -0.997 . . . . 0.0 109.884 -179.57 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 54.0 t -65.09 -40.01 87.48 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.547 0 O-C-N 121.205 -0.935 . . . . 0.0 109.654 -179.559 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 88.4 mmm -60.07 -41.33 92.18 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.089 -1.007 . . . . 0.0 109.877 -179.818 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 84.8 tt0 -61.0 -40.99 95.62 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.292 -0.88 . . . . 0.0 109.755 -179.52 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 94.1 m -69.02 -40.04 78.9 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.355 -0.84 . . . . 0.0 109.868 -179.769 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.403 HD13 ' HA ' ' A' ' 60' ' ' LEU . 2.8 mm? -73.76 -4.09 32.47 Favored 'General case' 0 N--CA 1.494 1.764 0 O-C-N 121.346 -0.846 . . . . 0.0 110.286 -179.243 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . 0.487 ' OD1' ' N ' ' A' ' 64' ' ' GLY . 60.4 t0 -72.48 68.28 0.79 Allowed 'General case' 0 N--CA 1.49 1.549 0 O-C-N 120.72 -1.237 . . . . 0.0 109.289 -179.801 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 53.1 tp10 -69.76 -39.81 76.48 Favored 'General case' 0 N--CA 1.494 1.74 0 O-C-N 121.432 -0.793 . . . . 0.0 110.427 -179.706 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 51.5 p-10 -87.76 -0.64 57.19 Favored 'General case' 0 N--CA 1.5 2.039 0 O-C-N 120.894 -1.129 . . . . 0.0 110.91 -178.683 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . 0.487 ' N ' ' OD1' ' A' ' 61' ' ' ASP . . . 70.9 22.79 78.38 Favored Glycine 0 N--CA 1.494 2.513 0 O-C-N 120.832 -1.167 . . . . 0.0 110.903 178.656 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . 0.417 ' OD2' ' O ' ' A' ' 67' ' ' GLU . 31.2 p-10 -84.43 -14.42 49.36 Favored 'General case' 0 N--CA 1.498 1.935 0 O-C-N 120.742 -1.446 . . . . 0.0 110.478 -179.556 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 89.84 -10.0 75.29 Favored Glycine 0 N--CA 1.498 2.813 0 O-C-N 120.719 -1.238 . . . . 0.0 110.659 179.099 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . 0.417 ' O ' ' OD2' ' A' ' 65' ' ' ASP . 2.2 pm0 -144.46 167.16 23.14 Favored 'General case' 0 N--CA 1.498 1.947 0 O-C-N 120.917 -1.343 . . . . 0.0 109.14 179.346 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 2.2 p -88.73 117.16 27.51 Favored 'General case' 0 N--CA 1.496 1.841 0 O-C-N 120.976 -1.078 . . . . 0.0 110.106 -178.721 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 86.2 m-20 -91.42 -173.13 3.49 Favored 'General case' 0 N--CA 1.492 1.663 0 CA-C-O 121.69 0.757 . . . . 0.0 110.05 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 66.7 t80 -60.08 -49.91 75.79 Favored 'General case' 0 N--CA 1.486 1.362 0 CA-C-O 121.43 0.633 . . . . 0.0 109.418 179.863 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 12.1 tp-100 -60.13 -47.46 85.82 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.434 -0.791 . . . . 0.0 110.13 -179.906 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 94.6 mt-10 -69.26 -35.62 76.28 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 121.113 -0.992 . . . . 0.0 110.48 -178.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 87.4 t80 -59.98 -43.85 94.85 Favored 'General case' 0 C--N 1.299 -1.608 0 O-C-N 121.016 -1.052 . . . . 0.0 109.248 -179.51 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 11.1 tpt -61.33 -39.97 92.5 Favored 'General case' 0 C--N 1.301 -1.543 0 O-C-N 121.099 -1.001 . . . . 0.0 109.236 179.031 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -60.21 -37.25 79.7 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.648 -0.657 . . . . 0.0 110.379 -179.388 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 64.9 t80 -60.08 -40.65 90.26 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 120.974 -1.079 . . . . 0.0 109.893 -179.078 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 68.1 t -60.92 -39.99 83.88 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.535 0 O-C-N 121.098 -1.001 . . . . 0.0 108.849 179.797 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 78.2 p -61.91 -40.64 96.17 Favored 'General case' 0 N--CA 1.487 1.412 0 O-C-N 121.477 -0.764 . . . . 0.0 110.0 -179.541 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 61.7 mtt -60.45 -46.39 90.24 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.024 -1.048 . . . . 0.0 109.855 -179.882 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 87.9 t -69.6 -43.61 80.23 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.479 0 O-C-N 121.121 -0.987 . . . . 0.0 108.892 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 94.2 m -63.87 -40.04 95.62 Favored 'General case' 0 C--N 1.304 -1.38 0 O-C-N 121.397 -0.815 . . . . 0.0 108.876 179.686 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 94.6 m -63.34 -40.0 96.09 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.33 -0.856 . . . . 0.0 109.405 179.765 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -63.3 -39.85 95.71 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.249 -0.907 . . . . 0.0 109.693 -179.738 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 60.8 m -65.27 102.77 0.7 Allowed 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.144 -0.972 . . . . 0.0 109.24 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 14.5 t-160 -99.71 -120.84 0.15 Allowed 'General case' 0 N--CA 1.498 1.958 0 O-C-N 121.212 -0.93 . . . . 0.0 109.762 -179.722 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 91.4 mt-10 -89.23 33.49 0.81 Allowed 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.156 -0.965 . . . . 0.0 109.079 179.792 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 31.0 t80 -59.94 -46.15 90.31 Favored 'General case' 0 C--N 1.3 -1.555 0 O-C-N 121.452 -0.78 . . . . 0.0 109.928 -178.806 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 11.8 p90 . . . . . 0 N--CA 1.5 2.048 0 O-C-N 121.029 -1.044 . . . . 0.0 109.595 179.752 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 16.9 p . . . . . 0 N--CA 1.5 2.039 0 CA-C-O 121.528 0.68 . . . . 0.0 109.609 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 75.8 mm-40 -63.25 -39.85 95.77 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.426 -0.796 . . . . 0.0 109.647 179.892 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -59.92 -39.8 86.68 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.38 -0.825 . . . . 0.0 109.734 -178.934 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 51.4 tp10 -60.04 -45.8 91.62 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 120.804 -1.185 . . . . 0.0 109.045 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 9.2 mtmp? -66.7 -34.22 77.37 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.191 -0.943 . . . . 0.0 109.079 179.106 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -59.88 -40.29 88.22 Favored 'General case' 0 N--CA 1.488 1.447 0 O-C-N 121.349 -0.844 . . . . 0.0 109.56 -179.449 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 7' ' ' MET . . . . . . . . . . . . . 3.9 tpt -60.09 -47.54 85.46 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.073 -1.017 . . . . 0.0 108.629 179.627 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 53.7 t -69.59 -40.09 79.12 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.553 0 O-C-N 121.418 -0.801 . . . . 0.0 108.964 179.7 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.91 -39.94 91.22 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.438 -0.789 . . . . 0.0 110.276 -179.749 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 25.9 tp -59.88 -49.99 75.55 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.233 -0.917 . . . . 0.0 109.987 -178.279 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 96.7 mt -70.06 -46.88 71.28 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.877 0 O-C-N 120.869 -1.145 . . . . 0.0 110.69 -179.555 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 59.8 t0 -60.13 -48.35 82.11 Favored 'General case' 0 N--CA 1.496 1.836 0 O-C-N 121.017 -1.052 . . . . 0.0 109.991 -179.293 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 54.0 t -60.51 -39.59 81.71 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.73 0 O-C-N 121.463 -0.773 . . . . 0.0 109.865 -179.715 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 14' ' ' PHE . . . . . 0.4 ' CD1' ' C ' ' B' ' 14' ' ' PHE . 27.7 t80 -59.38 -49.99 75.69 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.192 -0.942 . . . . 0.0 110.497 -178.565 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 49.5 m-70 -74.9 -42.0 58.63 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 120.793 -1.192 . . . . 0.0 110.975 -179.543 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 7.3 tt0 -60.02 -50.51 73.45 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 120.788 -1.195 . . . . 0.0 110.74 -178.59 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 9.6 m-85 -71.13 -42.46 69.16 Favored 'General case' 0 N--CA 1.495 1.786 0 O-C-N 120.905 -1.122 . . . . 0.0 109.893 -179.808 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 18' ' ' SER . . . . . 0.452 ' OG ' ' O ' ' B' ' 23' ' ' ASP . 20.6 t -70.04 -40.13 75.31 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.43 -0.794 . . . . 0.0 110.59 -179.369 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -70.62 -9.56 65.46 Favored Glycine 0 N--CA 1.49 2.258 0 C-N-CA 120.177 -1.011 . . . . 0.0 111.085 -178.74 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 14.3 ttp180 -60.06 -40.03 88.06 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 120.516 -1.579 . . . . 0.0 109.714 -179.46 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 99.2 mt-10 -133.04 83.42 2.06 Favored 'General case' 0 N--CA 1.499 1.979 0 O-C-N 121.387 -0.821 . . . . 0.0 109.683 -179.527 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . 44.26 -162.99 0.06 OUTLIER Glycine 0 N--CA 1.494 2.502 0 N-CA-C 110.214 -1.154 . . . . 0.0 110.214 179.498 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 23' ' ' ASP . . . . . 0.452 ' O ' ' OG ' ' B' ' 18' ' ' SER . 73.6 m-20 50.08 39.96 20.46 Favored 'General case' 0 N--CA 1.493 1.718 0 O-C-N 121.339 -1.095 . . . . 0.0 108.674 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 15.3 ptmt -62.3 -33.52 74.83 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.627 -0.67 . . . . 0.0 111.129 -178.8 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 25' ' ' HIS . . . . . 0.463 ' CG ' ' O ' ' B' ' 25' ' ' HIS . 43.7 t-80 -99.44 4.48 46.17 Favored 'General case' 0 N--CA 1.499 1.981 0 O-C-N 121.031 -1.043 . . . . 0.0 110.646 -179.007 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 89.3 mttt -141.05 157.87 44.71 Favored 'General case' 0 N--CA 1.502 2.161 0 O-C-N 121.03 -1.044 . . . . 0.0 110.666 -179.128 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 85.2 mt -116.28 115.76 26.53 Favored 'General case' 0 N--CA 1.5 2.064 0 N-CA-C 108.672 -0.862 . . . . 0.0 108.672 178.838 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 28' ' ' LYS . . . . . 0.415 ' HG2' ' H ' ' B' ' 29' ' ' LYS . 54.0 tttp -95.69 169.25 10.15 Favored 'General case' 0 N--CA 1.497 1.896 0 O-C-N 121.133 -0.979 . . . . 0.0 108.806 -179.934 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 29' ' ' LYS . . . . . 0.415 ' H ' ' HG2' ' B' ' 28' ' ' LYS . 7.5 ptpp? -56.3 -39.0 72.01 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 120.931 -1.106 . . . . 0.0 110.081 -179.161 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 33.6 t -60.63 -46.47 90.16 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 120.809 -1.182 . . . . 0.0 109.956 -179.76 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 8.8 mm-40 -69.38 -40.0 77.67 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.256 -0.903 . . . . 0.0 110.086 -179.299 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 8.3 tt -62.1 -39.99 94.35 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.279 -0.888 . . . . 0.0 109.678 -179.561 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 62.5 tttm -60.05 -39.98 87.85 Favored 'General case' 0 N--CA 1.494 1.753 0 O-C-N 121.324 -0.86 . . . . 0.0 110.363 -179.139 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 3.4 tm-20 -59.97 -40.03 87.71 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 120.822 -1.173 . . . . 0.0 109.386 -178.822 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 85.1 mt -60.16 -38.2 82.44 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.33 -0.856 . . . . 0.0 110.03 179.64 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 36' ' ' ILE . . . . . 0.439 ' O ' ' O ' ' B' ' 39' ' ' GLU . 45.0 mm -59.97 -49.84 82.41 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.782 0 O-C-N 121.329 -0.857 . . . . 0.0 111.153 -178.06 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 37' ' ' ASN . . . . . 0.436 ' O ' ' OG ' ' B' ' 41' ' ' SER . 61.1 m-20 -61.88 -40.07 94.14 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 120.474 -1.391 . . . . 0.0 110.037 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 28.8 t-20 -79.87 -41.77 25.58 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.028 -1.045 . . . . 0.0 110.42 179.845 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 39' ' ' GLU . . . . . 0.439 ' O ' ' O ' ' B' ' 36' ' ' ILE . 87.5 tt0 -122.11 156.76 32.92 Favored 'General case' 0 N--CA 1.502 2.165 0 O-C-N 121.482 -0.761 . . . . 0.0 110.601 -178.641 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 9.5 mt 58.64 19.93 7.22 Favored 'General case' 0 N--CA 1.494 1.74 0 CA-C-O 121.228 0.537 . . . . 0.0 110.31 179.235 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 41' ' ' SER . . . . . 0.436 ' OG ' ' O ' ' B' ' 37' ' ' ASN . 51.6 m -70.0 -41.18 74.71 Favored 'General case' 0 C--N 1.3 -1.567 0 O-C-N 121.047 -1.033 . . . . 0.0 109.952 179.721 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 42' ' ' HIS . . . . . . . . . . . . . 16.0 t60 -97.24 -43.53 7.31 Favored 'General case' 0 N--CA 1.498 1.96 0 O-C-N 121.17 -0.956 . . . . 0.0 110.838 -178.845 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -59.98 -42.52 94.37 Favored 'General case' 0 N--CA 1.495 1.8 0 O-C-N 120.966 -1.084 . . . . 0.0 110.064 -179.123 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 44.7 tp -94.93 151.06 19.51 Favored 'General case' 0 N--CA 1.497 1.879 0 O-C-N 120.947 -1.096 . . . . 0.0 108.992 -179.767 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 45' ' ' GLU . . . . . 0.441 ' OE1' ' O ' ' B' ' 46' ' ' GLU . 12.1 tm-20 -54.46 137.97 41.32 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.067 -1.021 . . . . 0.0 109.056 -179.414 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 46' ' ' GLU . . . . . 0.441 ' O ' ' OE1' ' B' ' 45' ' ' GLU . 50.9 mt-10 -63.42 133.53 54.14 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.318 -0.864 . . . . 0.0 110.04 -179.084 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 88.6 mt -108.41 124.62 64.94 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.894 0 O-C-N 121.507 -0.746 . . . . 0.0 109.33 179.412 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 32.5 ttmt -107.03 -28.27 10.13 Favored 'General case' 0 N--CA 1.495 1.779 0 O-C-N 121.507 -0.746 . . . . 0.0 109.556 -179.809 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 49' ' ' GLU . . . . . 0.486 ' CD ' ' H ' ' B' ' 49' ' ' GLU . 1.0 OUTLIER -102.42 135.5 43.92 Favored 'General case' 0 N--CA 1.497 1.875 0 O-C-N 121.453 -0.779 . . . . 0.0 109.888 -179.217 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 94.3 mt-30 -69.99 -19.28 63.35 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.591 -0.693 . . . . 0.0 109.436 179.904 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 89.1 tt0 -59.78 -39.74 85.89 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.453 -0.779 . . . . 0.0 109.695 -179.351 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 70.8 t -60.05 -40.13 82.33 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.526 0 O-C-N 121.172 -0.955 . . . . 0.0 108.974 -179.42 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 54.7 t -65.9 -42.24 91.59 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.56 0 O-C-N 121.235 -0.915 . . . . 0.0 109.301 179.538 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 78.7 m-20 -60.31 -44.26 95.6 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.243 -0.91 . . . . 0.0 110.197 -179.486 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -62.58 -40.2 96.13 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.129 -0.982 . . . . 0.0 109.86 -179.48 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 53.6 t -65.28 -39.99 87.16 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.482 0 O-C-N 121.234 -0.916 . . . . 0.0 109.774 -179.596 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 57' ' ' MET . . . . . . . . . . . . . 88.7 mmm -60.22 -41.29 92.76 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.028 -1.045 . . . . 0.0 109.878 -179.696 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 82.1 tt0 -60.97 -41.09 95.74 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.112 -0.992 . . . . 0.0 109.637 -179.47 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 94.4 m -68.72 -40.07 80.13 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.38 -0.825 . . . . 0.0 109.737 -179.622 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 2.5 mm? -74.08 -4.05 33.2 Favored 'General case' 0 N--CA 1.495 1.814 0 O-C-N 121.287 -0.883 . . . . 0.0 110.378 -179.063 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 61' ' ' ASP . . . . . 0.493 ' OD1' ' N ' ' B' ' 64' ' ' GLY . 58.7 t0 -72.49 68.03 0.78 Allowed 'General case' 0 N--CA 1.492 1.672 0 O-C-N 120.734 -1.229 . . . . 0.0 109.236 179.833 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 52.7 tp10 -69.5 -39.58 77.5 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.318 -0.864 . . . . 0.0 110.365 -179.66 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 51.9 p-10 -87.77 -1.01 57.69 Favored 'General case' 0 N--CA 1.498 1.94 0 O-C-N 120.949 -1.095 . . . . 0.0 110.889 -178.786 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 64' ' ' GLY . . . . . 0.493 ' N ' ' OD1' ' B' ' 61' ' ' ASP . . . 71.39 22.4 78.59 Favored Glycine 0 N--CA 1.494 2.551 0 O-C-N 120.745 -1.222 . . . . 0.0 110.994 178.578 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 32.4 p-10 -84.1 -14.35 50.6 Favored 'General case' 0 N--CA 1.497 1.896 0 O-C-N 120.856 -1.379 . . . . 0.0 110.504 -179.423 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 90.06 -10.49 73.86 Favored Glycine 0 N--CA 1.498 2.81 0 O-C-N 120.771 -1.205 . . . . 0.0 110.721 178.942 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 2.3 pm0 -143.86 167.57 22.0 Favored 'General case' 0 N--CA 1.498 1.959 0 O-C-N 120.911 -1.346 . . . . 0.0 109.182 179.26 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 68' ' ' CYS . . . . . . . . . . . . . 2.0 p -88.98 117.21 27.84 Favored 'General case' 0 N--CA 1.498 1.936 0 O-C-N 120.969 -1.082 . . . . 0.0 110.113 -178.803 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 85.1 m-20 -91.22 -172.63 3.36 Favored 'General case' 0 N--CA 1.491 1.606 0 CA-C-O 121.698 0.761 . . . . 0.0 110.154 179.842 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 65.5 t80 -60.22 -49.99 75.45 Favored 'General case' 0 N--CA 1.488 1.468 0 CA-C-O 121.562 0.696 . . . . 0.0 109.462 179.643 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 12.1 tp-100 -60.38 -47.66 85.09 Favored 'General case' 0 N--CA 1.493 1.675 0 O-C-N 121.414 -0.804 . . . . 0.0 110.075 -179.827 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 94.4 mt-10 -68.54 -36.01 78.23 Favored 'General case' 0 N--CA 1.494 1.759 0 O-C-N 121.306 -0.871 . . . . 0.0 110.647 -179.312 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 73' ' ' PHE . . . . . . . . . . . . . 86.1 t80 -59.95 -43.87 94.73 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.044 -1.035 . . . . 0.0 109.346 -179.456 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 74' ' ' MET . . . . . . . . . . . . . 11.0 tpt -61.42 -40.0 92.82 Favored 'General case' 0 C--N 1.301 -1.504 0 O-C-N 121.13 -0.981 . . . . 0.0 109.072 179.076 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -60.18 -37.31 79.82 Favored 'General case' 0 N--CA 1.494 1.754 0 O-C-N 121.582 -0.699 . . . . 0.0 110.515 -179.481 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 65.6 t80 -60.13 -40.36 89.48 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.084 -1.01 . . . . 0.0 109.972 -179.101 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 77' ' ' VAL . . . . . . . . . . . . . 63.7 t -60.88 -40.12 84.24 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.513 0 O-C-N 121.114 -0.991 . . . . 0.0 108.794 179.698 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 78' ' ' SER . . . . . . . . . . . . . 67.4 p -61.95 -40.49 95.71 Favored 'General case' 0 N--CA 1.487 1.394 0 O-C-N 121.433 -0.792 . . . . 0.0 109.993 -179.445 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 79' ' ' MET . . . . . . . . . . . . . 61.6 mtt -60.53 -46.72 89.14 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 120.901 -1.124 . . . . 0.0 109.9 -179.883 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 95.9 t -69.4 -43.41 80.95 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.518 0 O-C-N 121.255 -0.903 . . . . 0.0 108.852 179.902 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 94.3 m -64.01 -39.96 95.28 Favored 'General case' 0 C--N 1.304 -1.389 0 O-C-N 121.427 -0.795 . . . . 0.0 109.043 179.602 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 94.3 m -63.36 -40.0 96.07 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.314 -0.866 . . . . 0.0 109.548 179.552 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -63.07 -39.9 96.1 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.258 -0.901 . . . . 0.0 109.643 -179.809 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 84' ' ' CYS . . . . . . . . . . . . . 60.0 m -65.74 102.97 0.81 Allowed 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.266 -0.896 . . . . 0.0 109.233 -179.794 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 85' ' ' HIS . . . . . . . . . . . . . 14.6 t-160 -100.0 -121.24 0.15 Allowed 'General case' 0 N--CA 1.497 1.922 0 O-C-N 121.269 -0.894 . . . . 0.0 109.742 -179.715 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 91.1 mt-10 -88.59 33.5 0.76 Allowed 'General case' 0 N--CA 1.495 1.804 0 O-C-N 121.302 -0.874 . . . . 0.0 109.021 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 87' ' ' PHE . . . . . . . . . . . . . 30.7 t80 -60.01 -46.23 90.15 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.408 -0.808 . . . . 0.0 109.865 -178.788 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 11.2 p90 . . . . . 0 N--CA 1.5 2.069 0 O-C-N 121.005 -1.06 . . . . 0.0 109.654 179.793 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 47.5 t . . . . . 0 N--CA 1.499 1.979 0 N-CA-C 109.186 -0.672 . . . . 0.0 109.186 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 2' ' ' GLU . . . . . 0.416 ' H ' ' CD ' ' A' ' 2' ' ' GLU . 58.5 mp0 -59.99 -40.1 88.01 Favored 'General case' 0 C--N 1.303 -1.454 0 O-C-N 121.462 -0.774 . . . . 0.0 109.305 -179.832 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . 0.407 HD11 ' OE1' ' B' ' 39' ' ' GLU . 1.0 OUTLIER -61.65 -32.67 72.85 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.346 -0.846 . . . . 0.0 110.337 -179.48 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -60.11 -40.38 89.5 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 120.794 -1.191 . . . . 0.0 108.685 -179.789 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 26.1 mttp -70.0 -26.65 64.17 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.239 -0.913 . . . . 0.0 109.705 179.216 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -60.03 -43.62 95.17 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.166 -0.958 . . . . 0.0 109.663 -179.387 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 66.4 mtt -60.0 -40.02 87.76 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 120.746 -1.221 . . . . 0.0 108.853 179.322 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 77.2 t -69.98 -39.84 77.91 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.588 0 O-C-N 121.46 -0.775 . . . . 0.0 109.885 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.32 -46.53 88.35 Favored 'General case' 0 N--CA 1.494 1.761 0 O-C-N 121.18 -0.95 . . . . 0.0 110.479 -178.456 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -60.01 -40.64 89.96 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 120.768 -1.207 . . . . 0.0 108.78 179.674 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 86.8 mt -69.56 -41.92 80.52 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.67 0 O-C-N 121.084 -1.01 . . . . 0.0 109.61 179.573 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 11.5 t0 -64.28 -47.06 80.99 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.268 -0.895 . . . . 0.0 109.639 -179.772 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 53.4 t -63.74 -41.51 92.83 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.479 0 O-C-N 121.25 -0.906 . . . . 0.0 108.914 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 59.3 t80 -59.97 -50.03 75.35 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.413 -0.805 . . . . 0.0 109.481 179.706 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 82.9 t60 -70.26 -44.27 68.81 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.63 -0.669 . . . . 0.0 111.322 -179.247 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 30.1 tt0 -60.01 -48.51 81.4 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 120.975 -1.078 . . . . 0.0 110.467 -178.625 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 4.4 m-85 -70.02 -36.21 74.91 Favored 'General case' 0 N--CA 1.494 1.755 0 O-C-N 121.149 -0.97 . . . . 0.0 110.47 -179.589 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 19.0 t -59.79 -39.98 86.79 Favored 'General case' 0 C--N 1.301 -1.531 0 O-C-N 120.729 -1.232 . . . . 0.0 109.908 -178.679 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -81.74 -7.27 88.28 Favored Glycine 0 N--CA 1.493 2.451 0 C-N-CA 120.107 -1.044 . . . . 0.0 111.149 -179.664 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . 0.593 ' HE ' ' C ' ' A' ' 20' ' ' ARG . 0.0 OUTLIER -70.03 -29.31 66.32 Favored 'General case' 0 N--CA 1.496 1.869 0 O-C-N 120.654 -1.498 . . . . 0.0 110.709 -178.774 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 86.4 tt0 -108.27 -87.75 0.49 Allowed 'General case' 0 N--CA 1.5 2.037 0 O-C-N 121.193 -0.942 . . . . 0.0 110.144 -179.177 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -93.09 -154.78 31.46 Favored Glycine 0 N--CA 1.495 2.573 0 N-CA-C 109.831 -1.308 . . . . 0.0 109.831 -179.585 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . 0.531 ' OD1' ' CE1' ' A' ' 25' ' ' HIS . 34.6 p-10 -74.25 165.29 25.43 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.327 -1.102 . . . . 0.0 109.139 179.933 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . 0.462 ' CD ' ' H ' ' A' ' 24' ' ' LYS . 0.0 OUTLIER -84.96 105.4 15.7 Favored 'General case' 0 N--CA 1.496 1.832 0 O-C-N 121.076 -1.015 . . . . 0.0 109.75 -178.903 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' HIS . . . . . 0.566 ' CG ' ' N ' ' A' ' 26' ' ' LYS . 8.0 p-80 -169.64 -48.56 0.02 OUTLIER 'General case' 0 N--CA 1.494 1.732 0 O-C-N 121.095 -1.003 . . . . 0.0 109.697 179.208 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.566 ' N ' ' CG ' ' A' ' 25' ' ' HIS . 47.8 mtpt -141.54 157.24 45.38 Favored 'General case' 0 N--CA 1.499 1.982 0 O-C-N 121.421 -0.799 . . . . 0.0 108.87 179.521 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -107.57 139.0 42.77 Favored 'General case' 0 N--CA 1.5 2.031 0 O-C-N 121.354 -0.842 . . . . 0.0 109.034 179.741 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 44.0 mmtm -89.36 169.06 11.73 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.517 -0.74 . . . . 0.0 109.055 -179.874 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 61.0 pttt -60.04 -31.21 69.75 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.192 -0.943 . . . . 0.0 109.666 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 88.6 p -60.03 -39.84 87.28 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.238 -0.914 . . . . 0.0 109.784 -179.825 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 -67.6 -31.52 71.62 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.1 -1.0 . . . . 0.0 110.02 -179.536 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -60.1 -43.8 95.3 Favored 'General case' 0 N--CA 1.497 1.882 0 O-C-N 121.195 -0.941 . . . . 0.0 109.135 -179.545 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 61.0 tttp -59.97 -45.3 93.12 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.282 -0.886 . . . . 0.0 110.202 -179.574 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -69.28 -38.47 78.38 Favored 'General case' 0 N--CA 1.494 1.748 0 O-C-N 121.128 -0.983 . . . . 0.0 110.192 179.762 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 28.4 tp -59.97 -41.02 91.05 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.312 -0.867 . . . . 0.0 109.904 -178.603 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 96.6 mt -67.22 -41.12 86.37 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.72 0 O-C-N 121.005 -1.059 . . . . 0.0 110.539 -179.302 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 59.7 t30 -68.05 -35.13 77.73 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.16 -0.963 . . . . 0.0 110.125 -179.493 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 16.3 t-20 -59.94 -45.07 93.8 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.227 -0.921 . . . . 0.0 111.07 -178.459 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . 0.464 ' OE1' HD11 ' B' ' 3' ' ' LEU . 2.3 pt-20 -108.73 -93.31 0.42 Allowed 'General case' 0 N--CA 1.504 2.244 0 O-C-N 121.062 -1.024 . . . . 0.0 111.077 -178.675 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 70.6 mt -50.37 94.89 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.369 -0.832 . . . . 0.0 111.155 -178.195 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 94.2 p -109.9 -58.84 2.0 Favored 'General case' 0 N--CA 1.496 1.83 0 N-CA-C 108.076 -1.083 . . . . 0.0 108.076 178.047 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 86.0 t60 -68.05 -40.09 82.9 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.565 -0.709 . . . . 0.0 110.263 179.439 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . 0.567 ' C ' HD22 ' A' ' 44' ' ' LEU . 47.1 m-85 -59.91 -40.07 87.55 Favored 'General case' 0 N--CA 1.494 1.742 0 O-C-N 121.139 -0.976 . . . . 0.0 110.364 -178.836 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.567 HD22 ' C ' ' A' ' 43' ' ' PHE . 3.9 mm? -115.97 109.81 18.08 Favored 'General case' 0 N--CA 1.503 2.185 0 O-C-N 121.26 -0.9 . . . . 0.0 108.864 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . 0.453 ' CD ' ' H ' ' A' ' 45' ' ' GLU . 3.5 pm0 -119.94 -5.97 10.06 Favored 'General case' 0 N--CA 1.499 2.016 0 O-C-N 121.458 -0.776 . . . . 0.0 109.573 179.197 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . 0.411 ' OE1' ' N ' ' A' ' 46' ' ' GLU . 32.9 mp0 -84.0 -9.88 58.32 Favored 'General case' 0 N--CA 1.495 1.784 0 O-C-N 121.157 -0.965 . . . . 0.0 110.085 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 99.5 mt -79.49 91.83 1.58 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.615 0 O-C-N 120.767 -1.208 . . . . 0.0 109.746 -179.414 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 97.4 mttt -124.75 -29.55 3.4 Favored 'General case' 0 N--CA 1.496 1.852 0 N-CA-C 107.961 -1.125 . . . . 0.0 107.961 178.483 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 68.2 mm-40 -104.84 137.32 42.8 Favored 'General case' 0 N--CA 1.493 1.68 0 N-CA-C 108.635 -0.876 . . . . 0.0 108.635 179.462 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 4.5 pp0? -61.27 -21.33 63.82 Favored 'General case' 0 C--N 1.301 -1.543 0 O-C-N 121.171 -0.956 . . . . 0.0 109.703 -179.882 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 89.1 tt0 -60.02 -41.49 92.27 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.248 -0.908 . . . . 0.0 110.134 -178.617 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 55.1 t -60.04 -41.77 87.49 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.572 0 O-C-N 120.928 -1.108 . . . . 0.0 109.369 179.846 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 63.4 t -60.47 -42.88 92.82 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.45 0 O-C-N 121.17 -0.956 . . . . 0.0 109.581 -179.855 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 98.6 m-20 -62.73 -41.84 99.36 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.055 -1.028 . . . . 0.0 109.915 -179.907 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 61.3 tttm -66.63 -44.64 81.46 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.119 -0.988 . . . . 0.0 109.286 179.752 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 55.1 t -70.03 -40.95 79.1 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.583 0 O-C-N 121.582 -0.699 . . . . 0.0 110.052 179.871 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 23.1 ttt -60.33 -42.36 95.49 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.305 -0.872 . . . . 0.0 110.784 -179.111 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -69.6 -39.95 76.95 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.114 -0.991 . . . . 0.0 110.677 -179.051 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 93.7 m -63.28 -41.58 99.02 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.202 -0.936 . . . . 0.0 110.713 -179.525 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.559 HD13 ' O ' ' A' ' 60' ' ' LEU . 0.2 OUTLIER -71.87 -39.98 69.27 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.215 -0.928 . . . . 0.0 110.987 -178.47 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 93.6 m-20 -71.84 119.15 15.6 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 120.714 -1.241 . . . . 0.0 109.628 -178.952 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 66.6 mm-40 -70.03 -39.97 75.47 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.344 -0.848 . . . . 0.0 110.119 -179.852 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 29.9 p-10 -90.35 -8.04 51.75 Favored 'General case' 0 N--CA 1.494 1.768 0 O-C-N 121.117 -0.989 . . . . 0.0 110.566 -178.838 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 44.34 51.85 7.47 Favored Glycine 0 N--CA 1.495 2.627 0 N-CA-C 110.129 -1.188 . . . . 0.0 110.129 179.434 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . 0.4 ' N ' ' OD1' ' A' ' 65' ' ' ASP . 28.6 p-10 -88.98 -1.84 58.3 Favored 'General case' 0 N--CA 1.495 1.797 0 O-C-N 121.162 -1.199 . . . . 0.0 110.06 -179.592 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 80.91 -3.64 74.7 Favored Glycine 0 N--CA 1.493 2.483 0 N-CA-C 110.042 -1.223 . . . . 0.0 110.042 179.54 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 80.0 mm-40 -121.77 150.17 42.24 Favored 'General case' 0 N--CA 1.501 2.091 0 O-C-N 121.514 -0.992 . . . . 0.0 108.886 179.83 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 3.3 m -101.02 111.82 24.12 Favored 'General case' 0 N--CA 1.496 1.869 0 O-C-N 121.392 -0.817 . . . . 0.0 109.474 179.938 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 64.0 m-20 -89.05 164.34 15.1 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.547 -0.721 . . . . 0.0 109.155 179.781 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 58.8 t80 -59.95 -40.31 88.56 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.122 -0.986 . . . . 0.0 109.127 -179.611 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 46.2 mt-30 -60.14 -40.04 88.41 Favored 'General case' 0 N--CA 1.488 1.434 0 O-C-N 121.37 -0.831 . . . . 0.0 108.949 179.72 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 95.9 mt-10 -69.87 -36.75 75.73 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.382 -0.824 . . . . 0.0 109.446 179.614 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 57.7 t80 -59.95 -48.64 80.87 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.428 -0.795 . . . . 0.0 109.292 -179.457 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' MET . . . . . 0.519 ' SD ' ' O ' ' A' ' 74' ' ' MET . 0.0 OUTLIER -60.13 -40.17 88.82 Favored 'General case' 0 C--N 1.301 -1.536 0 N-CA-C 108.576 -0.898 . . . . 0.0 108.576 179.581 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -60.79 -36.99 80.41 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.486 -0.759 . . . . 0.0 110.49 179.928 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 36.7 t80 -60.02 -44.95 94.26 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.144 -0.972 . . . . 0.0 109.574 -178.715 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 71.9 t -65.61 -40.23 87.38 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.478 0 O-C-N 121.15 -0.969 . . . . 0.0 109.662 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 30.4 t -63.3 -40.37 97.17 Favored 'General case' 0 N--CA 1.494 1.76 0 O-C-N 121.34 -0.85 . . . . 0.0 110.832 -179.161 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 13.8 tpt -60.03 -43.84 95.04 Favored 'General case' 0 N--CA 1.494 1.739 0 O-C-N 120.908 -1.12 . . . . 0.0 109.839 -179.079 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 55.3 t -65.01 -49.0 81.73 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.666 0 O-C-N 120.901 -1.125 . . . . 0.0 109.601 179.894 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 2.8 m -70.49 -39.63 74.06 Favored 'General case' 0 N--CA 1.489 1.475 0 O-C-N 121.308 -0.87 . . . . 0.0 110.139 -179.279 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 94.2 m -60.01 -41.01 91.22 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.055 -1.028 . . . . 0.0 110.454 -178.894 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -70.39 -40.04 74.18 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.045 -1.034 . . . . 0.0 110.495 -179.6 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 74.9 m -80.2 134.38 36.12 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.155 -0.966 . . . . 0.0 111.234 -178.194 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 2.2 m-70 -82.94 -145.96 0.07 Allowed 'General case' 0 N--CA 1.489 1.511 0 N-CA-C 107.428 -1.323 . . . . 0.0 107.428 178.281 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . 0.445 ' H ' ' CD ' ' A' ' 86' ' ' GLU . 40.5 mp0 -59.9 -40.09 87.62 Favored 'General case' 0 C--N 1.301 -1.539 0 N-CA-C 106.989 -1.486 . . . . 0.0 106.989 178.26 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 40.1 t80 43.56 66.66 0.77 Allowed 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.637 -0.664 . . . . 0.0 110.698 178.127 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . 0.523 ' CG ' ' O ' ' A' ' 88' ' ' PHE . 1.9 p90 . . . . . 0 N--CA 1.494 1.727 0 O-C-N 121.155 -0.966 . . . . 0.0 109.349 179.259 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 48.2 t . . . . . 0 N--CA 1.496 1.871 0 N-CA-C 109.255 -0.646 . . . . 0.0 109.255 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' B' B ' 2' ' ' GLU . . . . . 0.444 ' H ' ' CD ' ' B' ' 2' ' ' GLU . 58.4 mp0 -59.96 -39.97 87.45 Favored 'General case' 0 C--N 1.302 -1.46 0 O-C-N 121.402 -0.811 . . . . 0.0 109.343 -179.867 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 3' ' ' LEU . . . . . 0.464 HD11 ' OE1' ' A' ' 39' ' ' GLU . 1.0 OUTLIER -62.26 -32.23 72.9 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.296 -0.877 . . . . 0.0 110.222 -179.488 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -60.01 -40.31 88.83 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 120.384 -1.447 . . . . 0.0 108.628 -179.94 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 21.5 mttp -70.06 -27.1 64.35 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.289 -0.882 . . . . 0.0 109.737 179.417 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -60.04 -42.91 95.47 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.098 -1.001 . . . . 0.0 109.758 -179.332 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 7' ' ' MET . . . . . . . . . . . . . 66.7 mtt -60.17 -39.97 88.3 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 120.773 -1.205 . . . . 0.0 108.684 179.42 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 73.8 t -69.94 -39.87 78.03 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.666 0 O-C-N 121.453 -0.779 . . . . 0.0 109.792 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.17 -46.96 87.01 Favored 'General case' 0 N--CA 1.494 1.749 0 O-C-N 121.224 -0.923 . . . . 0.0 110.529 -178.338 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -59.95 -40.13 87.97 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 120.763 -1.211 . . . . 0.0 108.764 179.802 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 88.4 mt -69.97 -41.95 79.5 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.634 0 O-C-N 121.171 -0.956 . . . . 0.0 109.402 179.727 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 11.3 t0 -64.39 -47.03 80.78 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 121.247 -0.908 . . . . 0.0 109.656 -179.751 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 54.4 t -63.84 -41.3 92.11 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.471 0 O-C-N 121.267 -0.895 . . . . 0.0 109.021 179.91 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 14' ' ' PHE . . . . . . . . . . . . . 58.2 t80 -60.04 -49.95 75.65 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.393 -0.817 . . . . 0.0 109.505 179.549 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 82.6 t60 -70.37 -44.15 68.66 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.584 -0.697 . . . . 0.0 111.262 -179.201 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 30.3 tt0 -60.06 -48.68 80.7 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 120.939 -1.1 . . . . 0.0 110.379 -178.648 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 4.3 m-85 -69.93 -36.23 75.16 Favored 'General case' 0 N--CA 1.495 1.776 0 O-C-N 121.088 -1.007 . . . . 0.0 110.522 -179.621 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 20.0 t -59.66 -40.13 86.74 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 120.718 -1.239 . . . . 0.0 109.892 -178.696 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -81.89 -6.99 88.51 Favored Glycine 0 N--CA 1.492 2.427 0 C-N-CA 120.088 -1.053 . . . . 0.0 111.202 -179.493 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 20' ' ' ARG . . . . . 0.593 ' C ' ' HE ' ' B' ' 20' ' ' ARG . 0.0 OUTLIER -70.09 -29.38 66.34 Favored 'General case' 0 N--CA 1.495 1.811 0 O-C-N 120.611 -1.523 . . . . 0.0 110.721 -178.808 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 86.4 tt0 -108.47 -87.67 0.49 Allowed 'General case' 0 N--CA 1.499 2.014 0 O-C-N 121.233 -0.917 . . . . 0.0 110.134 -179.174 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . -92.95 -154.61 31.3 Favored Glycine 0 N--CA 1.496 2.679 0 N-CA-C 109.868 -1.293 . . . . 0.0 109.868 -179.549 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 23' ' ' ASP . . . . . 0.533 ' OD1' ' CE1' ' B' ' 25' ' ' HIS . 34.5 p-10 -74.76 165.14 25.72 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.282 -1.128 . . . . 0.0 109.101 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 24' ' ' LYS . . . . . 0.49 ' CD ' ' H ' ' B' ' 24' ' ' LYS . 0.0 OUTLIER -84.5 105.47 15.34 Favored 'General case' 0 N--CA 1.497 1.924 0 O-C-N 121.103 -0.998 . . . . 0.0 109.697 -178.861 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' B' B ' 25' ' ' HIS . . . . . 0.566 ' CG ' ' N ' ' B' ' 26' ' ' LYS . 7.9 p-80 -169.85 -48.42 0.02 OUTLIER 'General case' 0 N--CA 1.494 1.729 0 O-C-N 121.107 -0.995 . . . . 0.0 109.781 179.215 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 26' ' ' LYS . . . . . 0.566 ' N ' ' CG ' ' B' ' 25' ' ' HIS . 47.1 mtpt -141.67 157.62 44.84 Favored 'General case' 0 N--CA 1.497 1.914 0 O-C-N 121.373 -0.829 . . . . 0.0 108.792 179.517 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -108.19 138.96 43.57 Favored 'General case' 0 N--CA 1.5 2.027 0 O-C-N 121.299 -0.876 . . . . 0.0 108.943 179.761 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 44.2 mmtm -89.33 169.18 11.64 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.485 -0.76 . . . . 0.0 109.027 -179.701 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 61.7 pttt -60.02 -31.3 69.82 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.305 -0.872 . . . . 0.0 109.662 179.935 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 88.3 p -60.03 -39.73 86.9 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.229 -0.919 . . . . 0.0 109.841 -179.902 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 -67.7 -31.48 71.46 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.089 -1.007 . . . . 0.0 109.902 -179.59 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -60.0 -44.09 94.78 Favored 'General case' 0 N--CA 1.495 1.802 0 O-C-N 121.108 -0.995 . . . . 0.0 109.197 -179.558 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 58.5 tttp -60.0 -44.84 94.28 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.317 -0.864 . . . . 0.0 110.195 -179.481 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -69.45 -38.38 77.76 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 121.095 -1.003 . . . . 0.0 110.209 179.731 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 30.1 tp -59.94 -41.13 91.14 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.188 -0.945 . . . . 0.0 110.005 -178.696 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 96.9 mt -67.12 -41.23 86.75 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.786 0 O-C-N 120.986 -1.071 . . . . 0.0 110.566 -179.198 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 59.0 t30 -68.12 -34.99 77.41 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.069 -1.019 . . . . 0.0 110.138 -179.449 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 16.4 t-20 -59.99 -45.03 94.06 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.242 -0.911 . . . . 0.0 111.145 -178.557 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 39' ' ' GLU . . . . . 0.407 ' OE1' HD11 ' A' ' 3' ' ' LEU . 2.2 pt-20 -108.76 -92.85 0.42 Allowed 'General case' 0 N--CA 1.505 2.278 0 O-C-N 121.096 -1.003 . . . . 0.0 110.971 -178.591 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 70.7 mt -50.93 94.82 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.371 -0.831 . . . . 0.0 111.273 -178.122 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 90.5 p -109.77 -59.07 1.97 Allowed 'General case' 0 N--CA 1.496 1.854 0 N-CA-C 108.098 -1.075 . . . . 0.0 108.098 178.134 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 42' ' ' HIS . . . . . . . . . . . . . 86.0 t60 -67.93 -39.92 83.41 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.589 -0.694 . . . . 0.0 110.232 179.495 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 43' ' ' PHE . . . . . 0.556 ' C ' HD22 ' B' ' 44' ' ' LEU . 47.3 m-85 -59.99 -40.06 87.87 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.17 -0.956 . . . . 0.0 110.377 -178.822 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 44' ' ' LEU . . . . . 0.556 HD22 ' C ' ' B' ' 43' ' ' PHE . 4.0 mm? -116.01 109.56 17.71 Favored 'General case' 0 N--CA 1.502 2.129 0 O-C-N 121.312 -0.868 . . . . 0.0 108.964 -179.888 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 45' ' ' GLU . . . . . 0.44 ' CD ' ' H ' ' B' ' 45' ' ' GLU . 3.6 pm0 -119.83 -5.91 10.11 Favored 'General case' 0 N--CA 1.501 2.091 0 O-C-N 121.421 -0.8 . . . . 0.0 109.651 179.312 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 46' ' ' GLU . . . . . 0.406 ' N ' ' OE1' ' B' ' 46' ' ' GLU . 33.3 mp0 -84.24 -9.24 58.68 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 121.221 -0.925 . . . . 0.0 109.977 179.936 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 99.2 mt -80.05 91.45 1.68 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.623 0 O-C-N 120.846 -1.159 . . . . 0.0 109.854 -179.497 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 97.9 mttt -124.46 -29.31 3.51 Favored 'General case' 0 N--CA 1.496 1.848 0 N-CA-C 107.959 -1.126 . . . . 0.0 107.959 178.586 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 67.8 mm-40 -105.12 137.19 43.26 Favored 'General case' 0 N--CA 1.493 1.696 0 N-CA-C 108.737 -0.838 . . . . 0.0 108.737 179.459 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 4.5 pp0? -61.3 -21.21 63.75 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.237 -0.914 . . . . 0.0 109.757 -179.818 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 89.0 tt0 -59.89 -41.82 92.45 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.311 -0.868 . . . . 0.0 110.171 -178.83 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 54.5 t -60.02 -41.45 86.29 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.587 0 O-C-N 120.943 -1.098 . . . . 0.0 109.342 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 53.1 t -60.99 -42.39 92.8 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.459 0 O-C-N 121.307 -0.871 . . . . 0.0 109.676 -179.79 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 98.5 m-20 -62.98 -41.92 99.69 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.027 -1.046 . . . . 0.0 109.783 -179.941 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 61.0 tttm -66.44 -44.67 82.2 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.234 -0.916 . . . . 0.0 109.224 179.707 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 54.5 t -70.04 -40.72 78.81 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.527 0 O-C-N 121.522 -0.736 . . . . 0.0 109.831 -179.909 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 57' ' ' MET . . . . . . . . . . . . . 22.7 ttt -60.68 -42.63 97.5 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.308 -0.87 . . . . 0.0 110.821 -178.924 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -69.22 -39.99 78.22 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.223 -0.923 . . . . 0.0 110.589 -178.859 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 94.5 m -63.19 -41.89 99.26 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 121.037 -1.039 . . . . 0.0 110.538 -179.517 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 60' ' ' LEU . . . . . 0.55 HD13 ' O ' ' B' ' 60' ' ' LEU . 0.2 OUTLIER -71.63 -39.96 70.07 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.275 -0.891 . . . . 0.0 111.037 -178.407 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 94.1 m-20 -71.97 119.14 15.73 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 120.774 -1.204 . . . . 0.0 109.711 -178.927 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 66.2 mm-40 -69.94 -40.05 75.71 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.386 -0.821 . . . . 0.0 110.144 -179.888 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 63' ' ' ASP . . . . . 0.404 ' N ' ' OD1' ' B' ' 63' ' ' ASP . 30.0 p-10 -90.28 -7.94 52.16 Favored 'General case' 0 N--CA 1.495 1.775 0 O-C-N 121.191 -0.943 . . . . 0.0 110.63 -178.813 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 44.44 51.58 7.7 Favored Glycine 0 N--CA 1.497 2.711 0 N-CA-C 110.085 -1.206 . . . . 0.0 110.085 179.458 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 65' ' ' ASP . . . . . 0.414 ' OD1' ' N ' ' B' ' 65' ' ' ASP . 29.1 p-10 -88.95 -1.91 58.33 Favored 'General case' 0 N--CA 1.495 1.815 0 O-C-N 121.17 -1.194 . . . . 0.0 110.016 -179.606 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 80.65 -2.87 77.18 Favored Glycine 0 N--CA 1.492 2.406 0 N-CA-C 110.03 -1.228 . . . . 0.0 110.03 179.372 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 79.7 mm-40 -122.28 150.02 42.9 Favored 'General case' 0 N--CA 1.499 1.976 0 O-C-N 121.478 -1.013 . . . . 0.0 108.791 179.716 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 68' ' ' CYS . . . . . . . . . . . . . 3.4 m -101.05 112.09 24.46 Favored 'General case' 0 N--CA 1.496 1.833 0 O-C-N 121.291 -0.88 . . . . 0.0 109.399 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 63.4 m-20 -89.2 164.49 14.96 Favored 'General case' 0 N--CA 1.493 1.686 0 N-CA-C 109.168 -0.679 . . . . 0.0 109.168 179.612 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 58.5 t80 -59.94 -40.48 89.08 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.23 -0.919 . . . . 0.0 109.089 -179.675 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 43.7 mt-30 -59.98 -40.02 87.72 Favored 'General case' 0 N--CA 1.488 1.449 0 O-C-N 121.395 -0.816 . . . . 0.0 108.95 179.862 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 96.0 mt-10 -69.92 -36.89 75.7 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.376 -0.828 . . . . 0.0 109.467 179.727 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 73' ' ' PHE . . . . . . . . . . . . . 60.7 t80 -59.9 -48.66 80.8 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.415 -0.803 . . . . 0.0 109.33 -179.39 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 74' ' ' MET . . . . . 0.504 ' SD ' ' O ' ' B' ' 74' ' ' MET . 0.0 OUTLIER -60.03 -40.01 87.89 Favored 'General case' 0 C--N 1.3 -1.547 0 N-CA-C 108.527 -0.916 . . . . 0.0 108.527 179.487 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -60.62 -37.21 80.68 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 121.52 -0.738 . . . . 0.0 110.389 179.883 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 36.9 t80 -60.05 -45.18 93.7 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.231 -0.918 . . . . 0.0 109.622 -178.611 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 77' ' ' VAL . . . . . . . . . . . . . 78.5 t -65.49 -39.99 86.84 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.509 0 O-C-N 121.257 -0.902 . . . . 0.0 109.633 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 78' ' ' SER . . . . . . . . . . . . . 29.5 t -63.61 -40.4 96.82 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.235 -0.916 . . . . 0.0 110.795 -179.083 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 79' ' ' MET . . . . . . . . . . . . . 13.6 tpt -60.0 -43.73 95.0 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 120.917 -1.115 . . . . 0.0 109.919 -179.101 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 54.8 t -64.98 -49.08 81.43 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.674 0 O-C-N 121.0 -1.062 . . . . 0.0 109.695 179.882 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 2.7 m -70.4 -39.65 74.36 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.353 -0.842 . . . . 0.0 110.118 -179.371 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 94.6 m -60.02 -41.45 92.21 Favored 'General case' 0 N--CA 1.494 1.745 0 O-C-N 121.116 -0.99 . . . . 0.0 110.093 -178.651 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -69.98 -40.04 75.6 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.101 -0.999 . . . . 0.0 110.65 -179.438 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 84' ' ' CYS . . . . . . . . . . . . . 77.6 m -80.09 134.37 36.18 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.123 -0.986 . . . . 0.0 111.324 -178.343 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 85' ' ' HIS . . . . . . . . . . . . . 2.2 m-70 -82.79 -145.97 0.07 Allowed 'General case' 0 N--CA 1.489 1.516 0 N-CA-C 107.479 -1.304 . . . . 0.0 107.479 178.274 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 86' ' ' GLU . . . . . 0.404 ' H ' ' CD ' ' B' ' 86' ' ' GLU . 40.5 mp0 -60.06 -39.97 87.87 Favored 'General case' 0 C--N 1.302 -1.483 0 N-CA-C 107.025 -1.472 . . . . 0.0 107.025 178.24 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 87' ' ' PHE . . . . . . . . . . . . . 41.7 t80 43.55 66.54 0.79 Allowed 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.667 -0.646 . . . . 0.0 110.652 178.101 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 88' ' ' PHE . . . . . 0.528 ' CG ' ' O ' ' B' ' 88' ' ' PHE . 2.0 p90 . . . . . 0 N--CA 1.493 1.704 0 O-C-N 121.032 -1.043 . . . . 0.0 109.395 179.359 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 3.8 t . . . . . 0 N--CA 1.492 1.656 0 CA-C-O 121.529 0.68 . . . . 0.0 109.608 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 48.1 mt-10 -69.79 -39.01 76.87 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.403 -0.811 . . . . 0.0 109.537 179.797 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 51.7 tp -60.03 -47.21 86.79 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.372 -0.83 . . . . 0.0 109.584 -179.051 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 88.2 tt0 -60.01 -49.9 75.86 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.035 -1.04 . . . . 0.0 109.665 -179.686 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 37.6 ttpt -60.84 -42.83 98.54 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.27 -0.894 . . . . 0.0 109.937 179.537 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -64.07 -39.61 94.45 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.431 -0.793 . . . . 0.0 110.499 -179.326 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 12.7 ttm -59.99 -41.65 92.53 Favored 'General case' 0 N--CA 1.495 1.789 0 O-C-N 120.874 -1.141 . . . . 0.0 109.334 -179.305 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 96.4 t -67.93 -36.87 77.19 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.628 0 O-C-N 121.201 -0.937 . . . . 0.0 109.91 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -53.11 -41.7 65.27 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.125 -0.984 . . . . 0.0 110.196 -178.481 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.429 ' N ' HD12 ' A' ' 10' ' ' LEU . 11.1 mp -60.38 -42.53 96.05 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 120.815 -1.178 . . . . 0.0 108.859 179.405 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 36.5 mm -66.13 -44.06 91.9 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.678 0 O-C-N 121.196 -0.94 . . . . 0.0 109.55 179.614 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 7.1 t70 -60.42 -48.24 82.61 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.274 -0.892 . . . . 0.0 110.397 -179.762 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 95.4 t -69.31 -46.29 77.38 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.495 0 O-C-N 121.354 -0.841 . . . . 0.0 109.764 -179.103 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 62.2 t80 -60.07 -48.46 81.61 Favored 'General case' 0 C--N 1.299 -1.59 0 O-C-N 121.519 -0.738 . . . . 0.0 110.273 -179.381 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 52.1 t-80 -60.04 -41.79 93.03 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.252 -0.905 . . . . 0.0 111.145 -179.051 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 4.1 tp-100 -60.58 -53.55 56.09 Favored 'General case' 0 N--CA 1.495 1.814 0 O-C-N 120.944 -1.098 . . . . 0.0 110.514 -179.028 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 8.3 m-85 -71.93 -40.02 69.06 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.179 -0.95 . . . . 0.0 110.304 -179.528 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . 0.424 ' O ' ' O ' ' A' ' 23' ' ' ASP . 53.5 m -60.07 -41.51 92.58 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.005 -1.06 . . . . 0.0 109.92 -178.563 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -82.82 33.79 2.82 Favored Glycine 0 N--CA 1.492 2.393 0 N-CA-C 109.988 -1.245 . . . . 0.0 109.988 179.842 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . 0.448 HH11 ' HG2' ' A' ' 20' ' ' ARG . 41.1 ttt-85 -59.77 -61.94 2.25 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 120.901 -1.353 . . . . 0.0 109.43 -179.123 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.524 ' O ' ' N ' ' A' ' 23' ' ' ASP . 85.9 tt0 -179.03 139.13 0.15 Allowed 'General case' 0 N--CA 1.497 1.903 0 N-CA-C 109.097 -0.705 . . . . 0.0 109.097 179.129 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 66.48 -51.15 0.2 Allowed Glycine 0 N--CA 1.494 2.535 0 N-CA-C 110.31 -1.116 . . . . 0.0 110.31 179.418 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . 0.524 ' N ' ' O ' ' A' ' 21' ' ' GLU . 11.7 p30 -89.1 115.67 26.8 Favored 'General case' 0 N--CA 1.497 1.901 0 O-C-N 121.119 -1.224 . . . . 0.0 109.349 -179.899 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 68.0 mttm -93.15 -80.1 0.39 Allowed 'General case' 0 N--CA 1.5 2.055 0 O-C-N 121.165 -0.959 . . . . 0.0 111.773 -178.581 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 89.1 m-70 -105.95 21.36 17.43 Favored 'General case' 0 N--CA 1.503 2.185 0 O-C-N 121.418 -0.801 . . . . 0.0 109.715 -179.031 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -133.01 153.89 51.05 Favored 'General case' 0 N--CA 1.493 1.714 0 N-CA-C 108.707 -0.849 . . . . 0.0 108.707 -179.868 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 59.1 mt -119.69 135.39 54.85 Favored 'General case' 0 N--CA 1.498 1.946 0 O-C-N 121.615 -0.678 . . . . 0.0 109.183 -179.225 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 32.5 mtmm -94.24 173.91 7.41 Favored 'General case' 0 N--CA 1.495 1.795 0 O-C-N 121.423 -0.798 . . . . 0.0 109.026 179.918 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -60.04 -40.14 88.34 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.031 -1.043 . . . . 0.0 109.399 -179.559 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 43.8 t -70.03 -45.95 66.09 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.078 -1.014 . . . . 0.0 109.538 179.645 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . 0.441 ' OE2' ' OD2' ' A' ' 23' ' ' ASP . 4.0 tp10 -64.11 -39.95 95.16 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.329 -0.857 . . . . 0.0 109.661 179.838 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.689 HD13 ' C ' ' A' ' 32' ' ' LEU . 3.1 tm? -59.97 -49.07 79.12 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.324 -0.86 . . . . 0.0 109.778 -178.335 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 84.1 tttt -62.2 -40.66 96.83 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.089 -1.007 . . . . 0.0 109.975 -179.903 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 41.6 tt0 -62.64 -40.08 95.87 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.25 -0.907 . . . . 0.0 110.285 -179.439 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 7.0 tt -59.94 -48.18 82.74 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.133 -0.979 . . . . 0.0 109.9 -179.332 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.455 ' O ' ' O ' ' A' ' 39' ' ' GLU . 97.7 mt -65.77 -40.04 86.57 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.519 0 O-C-N 121.066 -1.021 . . . . 0.0 110.284 -179.86 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 4.6 m120 -60.08 -49.55 77.22 Favored 'General case' 0 C--N 1.302 -1.491 0 O-C-N 120.748 -1.22 . . . . 0.0 110.423 -178.403 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 19.8 t-20 -80.49 -40.29 26.42 Favored 'General case' 0 N--CA 1.495 1.785 0 O-C-N 120.916 -1.115 . . . . 0.0 110.777 -179.605 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . 0.455 ' O ' ' O ' ' A' ' 36' ' ' ILE . 98.3 mt-10 -108.37 158.18 17.74 Favored 'General case' 0 N--CA 1.501 2.125 0 O-C-N 121.296 -0.877 . . . . 0.0 110.225 -178.76 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 5.9 tp 60.93 11.4 3.28 Favored 'General case' 0 C--N 1.302 -1.496 0 N-CA-C 108.383 -0.969 . . . . 0.0 108.383 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . 0.439 ' O ' ' O ' ' A' ' 44' ' ' LEU . 51.7 p -70.02 -38.73 75.99 Favored 'General case' 0 N--CA 1.487 1.403 0 O-C-N 121.614 -0.679 . . . . 0.0 109.43 179.831 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 82.3 m-70 -68.64 -41.07 79.94 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.255 -0.903 . . . . 0.0 109.896 -179.479 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 2.1 t80 -71.91 -39.92 69.17 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.261 -0.9 . . . . 0.0 110.186 -179.044 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.439 ' O ' ' O ' ' A' ' 41' ' ' SER . 28.7 tp -122.06 147.74 45.73 Favored 'General case' 0 N--CA 1.503 2.219 0 O-C-N 121.306 -0.871 . . . . 0.0 109.513 -179.101 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -71.69 150.01 44.94 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.141 -0.975 . . . . 0.0 108.808 179.131 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 -67.06 147.55 53.03 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.059 -1.026 . . . . 0.0 109.91 -179.671 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 95.8 mt -93.45 130.13 42.9 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.806 0 O-C-N 121.498 -0.751 . . . . 0.0 109.577 -179.678 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 57.0 mtpt -100.18 -16.38 17.8 Favored 'General case' 0 N--CA 1.496 1.87 0 O-C-N 121.26 -0.9 . . . . 0.0 110.613 -179.003 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . 0.433 ' OE1' ' N ' ' A' ' 49' ' ' GLU . 53.7 mp0 -110.16 130.22 55.58 Favored 'General case' 0 N--CA 1.505 2.292 0 O-C-N 121.258 -0.901 . . . . 0.0 110.428 -179.691 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 27.4 mt-30 -70.06 -26.98 64.27 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.62 -0.675 . . . . 0.0 109.814 179.124 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 88.4 tt0 -60.0 -40.07 87.93 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.335 -0.853 . . . . 0.0 109.827 -178.476 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 57.7 t -60.21 -43.34 93.04 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.595 0 O-C-N 121.017 -1.052 . . . . 0.0 108.96 179.388 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 76.9 t -61.0 -41.03 87.58 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.622 0 O-C-N 121.239 -0.913 . . . . 0.0 109.478 -179.864 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 7.1 t70 -59.99 -49.97 75.58 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.178 -0.951 . . . . 0.0 110.856 -179.444 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 9.1 mtmp? -61.45 -39.98 92.8 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 120.994 -1.066 . . . . 0.0 109.27 -179.226 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 55.4 t -62.19 -40.93 89.45 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.496 0 O-C-N 121.335 -0.853 . . . . 0.0 109.59 179.718 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 53.3 tpp -59.99 -43.03 95.42 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.186 -0.946 . . . . 0.0 109.773 -179.609 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 97.8 mt-10 -60.5 -40.48 91.51 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.202 -0.936 . . . . 0.0 110.371 -179.587 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 88.5 m -62.54 -42.53 99.59 Favored 'General case' 0 C--N 1.301 -1.543 0 O-C-N 121.365 -0.834 . . . . 0.0 109.854 -179.123 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.436 ' O ' ' N ' ' A' ' 62' ' ' GLU . 21.5 mt -82.2 -11.88 58.44 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 121.243 -0.911 . . . . 0.0 110.755 -179.604 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 99.9 m-20 -70.59 51.13 0.13 Allowed 'General case' 0 N--CA 1.493 1.683 0 O-C-N 120.88 -1.138 . . . . 0.0 109.612 -179.657 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . 0.436 ' N ' ' O ' ' A' ' 60' ' ' LEU . 76.3 mm-40 -61.65 -40.08 93.63 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.38 -0.825 . . . . 0.0 109.65 179.929 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 42.6 p-10 -82.53 -9.41 59.43 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 121.138 -0.976 . . . . 0.0 109.971 -179.47 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 65.08 31.04 79.51 Favored Glycine 0 N--CA 1.492 2.432 0 C-N-CA 119.893 -1.146 . . . . 0.0 110.266 179.252 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . 0.438 ' OD2' ' O ' ' A' ' 67' ' ' GLU . 31.8 p-10 -83.88 -9.69 58.55 Favored 'General case' 0 N--CA 1.495 1.776 0 O-C-N 120.961 -1.317 . . . . 0.0 109.949 -179.903 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 73.01 6.75 68.87 Favored Glycine 0 N--CA 1.493 2.439 0 N-CA-C 110.375 -1.09 . . . . 0.0 110.375 179.47 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . 0.438 ' O ' ' OD2' ' A' ' 65' ' ' ASP . 16.0 pt-20 -148.12 159.97 43.38 Favored 'General case' 0 N--CA 1.496 1.861 0 O-C-N 121.007 -1.29 . . . . 0.0 109.73 -179.691 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 22.5 t -99.52 113.57 26.05 Favored 'General case' 0 N--CA 1.498 1.949 0 O-C-N 121.17 -0.956 . . . . 0.0 109.352 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 70.5 m-20 -97.52 -178.7 4.22 Favored 'General case' 0 N--CA 1.497 1.875 0 O-C-N 121.406 -0.809 . . . . 0.0 110.191 -179.518 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 58.5 t80 -59.99 -44.66 94.38 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.379 -0.825 . . . . 0.0 109.902 -179.737 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 12.6 pt20 -60.04 -47.13 87.13 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 120.879 -1.138 . . . . 0.0 108.455 179.456 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 78.0 tt0 -64.32 -36.84 85.42 Favored 'General case' 0 C--N 1.301 -1.502 0 O-C-N 121.538 -0.726 . . . . 0.0 109.291 178.851 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 64.4 t80 -59.97 -41.93 93.01 Favored 'General case' 0 N--CA 1.494 1.761 0 O-C-N 121.233 -0.917 . . . . 0.0 109.688 -179.72 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 11.0 tpt -60.03 -39.99 87.79 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.039 -1.038 . . . . 0.0 109.161 179.569 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -60.06 -36.04 76.47 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.555 -0.716 . . . . 0.0 109.601 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 13.5 t80 -59.95 -48.03 83.37 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.149 -0.97 . . . . 0.0 109.017 -179.19 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 86.5 t -65.1 -40.53 89.19 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.618 0 O-C-N 121.293 -0.88 . . . . 0.0 109.505 179.921 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . 0.447 ' O ' HG23 ' A' ' 82' ' ' THR . 77.3 p -60.76 -36.21 78.35 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.395 -0.816 . . . . 0.0 109.684 179.808 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 28.2 ttt -60.09 -40.09 88.41 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.318 -0.864 . . . . 0.0 109.84 -178.89 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 53.0 t -68.28 -40.14 82.13 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.556 0 O-C-N 121.096 -1.003 . . . . 0.0 109.032 179.869 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 76.0 p -69.94 -40.39 75.52 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.238 -0.914 . . . . 0.0 110.189 -179.887 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . 0.447 HG23 ' O ' ' A' ' 78' ' ' SER . 40.6 p -64.08 -39.67 94.57 Favored 'General case' 0 C--N 1.302 -1.461 0 O-C-N 121.109 -0.994 . . . . 0.0 109.152 179.854 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -68.39 -27.94 66.67 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.477 -0.764 . . . . 0.0 109.837 -179.93 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 51.4 t -46.74 107.85 0.12 Allowed 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.114 -0.991 . . . . 0.0 109.514 -179.875 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 7.1 t60 -138.96 114.28 9.62 Favored 'General case' 0 N--CA 1.496 1.857 0 O-C-N 121.32 -0.863 . . . . 0.0 108.899 179.906 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 21.8 tp10 65.33 22.4 12.04 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.491 -0.756 . . . . 0.0 109.358 -179.654 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 87' ' ' PHE . . . . . 0.428 ' O ' ' O ' ' A' ' 88' ' ' PHE . 2.7 m-85 -89.98 -81.41 0.29 Allowed 'General case' 0 N--CA 1.498 1.946 0 O-C-N 120.968 -1.083 . . . . 0.0 108.48 179.337 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . 0.428 ' O ' ' O ' ' A' ' 87' ' ' PHE . 95.3 m-85 . . . . . 0 N--CA 1.496 1.841 0 CA-C-O 121.221 0.534 . . . . 0.0 110.784 179.255 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 3.3 t . . . . . 0 N--CA 1.49 1.541 0 CA-C-O 121.542 0.687 . . . . 0.0 109.524 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 48.4 mt-10 -69.89 -39.13 76.45 Favored 'General case' 0 N--CA 1.489 1.475 0 O-C-N 121.379 -0.826 . . . . 0.0 109.477 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 46.2 tp -60.0 -47.37 86.11 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.474 -0.766 . . . . 0.0 109.583 -179.123 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 88.2 tt0 -59.97 -49.85 76.06 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 120.954 -1.091 . . . . 0.0 109.704 -179.607 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 37.1 ttpt -60.84 -42.77 98.45 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.113 -0.992 . . . . 0.0 109.905 179.487 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -63.85 -39.86 95.21 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.398 -0.814 . . . . 0.0 110.506 -179.456 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 7' ' ' MET . . . . . . . . . . . . . 17.1 ttm -59.98 -41.57 92.28 Favored 'General case' 0 N--CA 1.494 1.768 0 O-C-N 120.768 -1.208 . . . . 0.0 109.398 -179.353 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 88.0 t -67.8 -37.73 79.0 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.512 0 O-C-N 121.26 -0.9 . . . . 0.0 109.864 -179.853 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -52.94 -40.65 63.81 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.179 -0.95 . . . . 0.0 110.255 -178.442 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 10' ' ' LEU . . . . . 0.435 HD12 ' N ' ' B' ' 10' ' ' LEU . 11.0 mp -61.28 -42.09 98.05 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 120.793 -1.192 . . . . 0.0 108.819 179.369 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 37.1 mm -66.54 -43.91 90.45 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.657 0 O-C-N 121.194 -0.941 . . . . 0.0 109.53 179.476 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 7.1 t70 -60.18 -48.5 81.45 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.365 -0.834 . . . . 0.0 110.357 -179.702 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 94.0 t -68.88 -46.58 78.93 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.518 0 O-C-N 121.387 -0.821 . . . . 0.0 109.866 -179.157 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 14' ' ' PHE . . . . . . . . . . . . . 60.2 t80 -59.97 -48.18 82.75 Favored 'General case' 0 C--N 1.301 -1.501 0 O-C-N 121.485 -0.759 . . . . 0.0 110.264 -179.468 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 53.3 t-80 -60.1 -42.14 94.03 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.228 -0.92 . . . . 0.0 111.15 -179.059 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 4.1 tp-100 -60.45 -53.4 58.0 Favored 'General case' 0 N--CA 1.496 1.835 0 O-C-N 120.99 -1.069 . . . . 0.0 110.49 -178.875 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 8.4 m-85 -71.95 -40.15 68.87 Favored 'General case' 0 N--CA 1.494 1.762 0 O-C-N 121.272 -0.893 . . . . 0.0 110.277 -179.462 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 18' ' ' SER . . . . . 0.425 ' O ' ' O ' ' B' ' 23' ' ' ASP . 55.6 m -59.91 -41.93 92.76 Favored 'General case' 0 C--N 1.3 -1.558 0 O-C-N 121.047 -1.033 . . . . 0.0 110.12 -178.762 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -82.63 33.88 2.77 Favored Glycine 0 N--CA 1.492 2.41 0 N-CA-C 109.902 -1.279 . . . . 0.0 109.902 179.793 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 20' ' ' ARG . . . . . 0.462 HH11 ' HG2' ' B' ' 20' ' ' ARG . 37.3 ttt-85 -59.67 -61.82 2.34 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 120.904 -1.351 . . . . 0.0 109.529 -179.193 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 21' ' ' GLU . . . . . 0.471 ' O ' ' N ' ' B' ' 23' ' ' ASP . 85.6 tt0 -179.26 139.19 0.14 Allowed 'General case' 0 N--CA 1.497 1.906 0 N-CA-C 109.029 -0.73 . . . . 0.0 109.029 179.257 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . 66.31 -51.25 0.19 Allowed Glycine 0 N--CA 1.493 2.473 0 N-CA-C 110.334 -1.106 . . . . 0.0 110.334 179.333 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 23' ' ' ASP . . . . . 0.506 ' N ' ' OD1' ' B' ' 23' ' ' ASP . 12.1 p30 -89.07 115.76 26.85 Favored 'General case' 0 N--CA 1.497 1.898 0 O-C-N 121.158 -1.201 . . . . 0.0 109.414 -179.799 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 68.0 mttm -92.91 -80.36 0.38 Allowed 'General case' 0 N--CA 1.5 2.054 0 O-C-N 121.248 -0.907 . . . . 0.0 111.986 -178.449 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 25' ' ' HIS . . . . . . . . . . . . . 88.3 m-70 -105.97 21.54 17.14 Favored 'General case' 0 N--CA 1.502 2.173 0 O-C-N 121.326 -0.859 . . . . 0.0 109.633 -179.012 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -133.6 153.45 51.65 Favored 'General case' 0 N--CA 1.493 1.678 0 N-CA-C 108.719 -0.845 . . . . 0.0 108.719 -179.672 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 53.7 mt -119.31 136.13 54.39 Favored 'General case' 0 N--CA 1.496 1.85 0 O-C-N 121.531 -0.73 . . . . 0.0 109.138 -179.175 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 31.5 mtmm -94.62 173.79 7.44 Favored 'General case' 0 N--CA 1.494 1.764 0 O-C-N 121.408 -0.807 . . . . 0.0 108.99 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -60.0 -39.99 87.67 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.035 -1.041 . . . . 0.0 109.506 -179.585 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 46.1 t -70.31 -45.35 66.44 Favored 'General case' 0 N--CA 1.488 1.465 0 O-C-N 121.054 -1.029 . . . . 0.0 109.511 179.663 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 31' ' ' GLU . . . . . 0.43 ' OE2' ' OD2' ' B' ' 23' ' ' ASP . 4.0 tp10 -64.73 -39.93 94.47 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.345 -0.847 . . . . 0.0 109.649 179.806 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 32' ' ' LEU . . . . . 0.696 ' C ' HD13 ' B' ' 32' ' ' LEU . 3.0 tm? -60.02 -49.5 77.43 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.228 -0.92 . . . . 0.0 109.398 -178.232 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 84.4 tttt -61.52 -40.91 96.32 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.092 -1.005 . . . . 0.0 110.051 -179.801 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 41.7 tt0 -62.6 -39.95 95.37 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.349 -0.845 . . . . 0.0 110.363 -179.441 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 6.7 tt -60.02 -48.21 82.65 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.178 -0.951 . . . . 0.0 109.905 -179.301 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 36' ' ' ILE . . . . . 0.456 ' O ' ' O ' ' B' ' 39' ' ' GLU . 96.6 mt -65.86 -40.05 86.45 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.583 0 O-C-N 121.038 -1.039 . . . . 0.0 110.188 -179.655 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 4.9 m120 -59.95 -49.62 76.96 Favored 'General case' 0 C--N 1.301 -1.502 0 O-C-N 120.86 -1.15 . . . . 0.0 110.434 -178.535 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 19.6 t-20 -80.42 -40.34 26.58 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 120.927 -1.108 . . . . 0.0 110.757 -179.601 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 39' ' ' GLU . . . . . 0.456 ' O ' ' O ' ' B' ' 36' ' ' ILE . 98.1 mt-10 -108.7 158.04 17.98 Favored 'General case' 0 N--CA 1.501 2.1 0 O-C-N 121.162 -0.961 . . . . 0.0 110.284 -178.704 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 6.0 tp 60.96 11.76 3.51 Favored 'General case' 0 C--N 1.302 -1.484 0 N-CA-C 108.329 -0.989 . . . . 0.0 108.329 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 41' ' ' SER . . . . . 0.443 ' O ' ' O ' ' B' ' 44' ' ' LEU . 53.4 p -70.23 -38.76 75.29 Favored 'General case' 0 N--CA 1.487 1.411 0 O-C-N 121.61 -0.681 . . . . 0.0 109.358 179.495 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 42' ' ' HIS . . . . . . . . . . . . . 79.0 m-70 -68.25 -41.56 80.96 Favored 'General case' 0 N--CA 1.488 1.441 0 O-C-N 121.209 -0.932 . . . . 0.0 109.852 -179.41 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 2.0 t80 -72.02 -39.99 68.79 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.348 -0.845 . . . . 0.0 110.354 -179.142 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 44' ' ' LEU . . . . . 0.443 ' O ' ' O ' ' B' ' 41' ' ' SER . 35.2 tp -121.35 147.71 45.33 Favored 'General case' 0 N--CA 1.506 2.332 0 O-C-N 121.37 -0.831 . . . . 0.0 109.528 -179.301 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -71.7 149.84 45.09 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.1 -1.0 . . . . 0.0 108.746 178.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -66.99 147.81 52.75 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 120.95 -1.094 . . . . 0.0 109.867 -179.56 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 92.9 mt -93.42 129.9 43.21 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.759 0 O-C-N 121.502 -0.749 . . . . 0.0 109.613 -179.594 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 57.4 mtpt -99.97 -16.49 17.93 Favored 'General case' 0 N--CA 1.496 1.862 0 O-C-N 121.356 -0.84 . . . . 0.0 110.707 -178.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 49' ' ' GLU . . . . . 0.435 ' OE1' ' N ' ' B' ' 49' ' ' GLU . 52.0 mp0 -110.06 130.19 55.57 Favored 'General case' 0 N--CA 1.503 2.206 0 O-C-N 121.281 -0.887 . . . . 0.0 110.438 -179.692 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 27.3 mt-30 -70.39 -26.74 63.85 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.654 -0.654 . . . . 0.0 109.609 179.3 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -59.94 -40.07 87.67 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.158 -0.964 . . . . 0.0 109.889 -178.525 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 58.7 t -60.3 -43.27 93.21 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.571 0 O-C-N 121.006 -1.058 . . . . 0.0 109.008 179.298 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 73.9 t -60.81 -41.05 87.11 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.581 0 O-C-N 121.239 -0.913 . . . . 0.0 109.4 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 7.4 t70 -59.98 -50.02 75.38 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.239 -0.913 . . . . 0.0 110.837 -179.293 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 9.0 mtmp? -61.53 -40.07 93.34 Favored 'General case' 0 C--N 1.303 -1.456 0 O-C-N 120.913 -1.117 . . . . 0.0 109.308 -179.126 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 55.5 t -62.35 -40.38 87.68 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.527 0 O-C-N 121.264 -0.898 . . . . 0.0 109.535 179.812 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 57' ' ' MET . . . . . . . . . . . . . 49.8 tpp -60.14 -43.43 95.72 Favored 'General case' 0 N--CA 1.494 1.749 0 O-C-N 121.236 -0.915 . . . . 0.0 109.708 -179.649 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -60.52 -40.46 91.52 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.094 -1.004 . . . . 0.0 110.27 -179.49 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 92.7 m -62.03 -42.71 99.46 Favored 'General case' 0 C--N 1.301 -1.503 0 O-C-N 121.364 -0.835 . . . . 0.0 109.796 -179.091 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 60' ' ' LEU . . . . . 0.465 ' O ' ' N ' ' B' ' 62' ' ' GLU . 30.8 mt -82.0 -12.31 58.39 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.254 -0.904 . . . . 0.0 110.739 -179.693 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 99.5 m-20 -70.51 51.65 0.13 Allowed 'General case' 0 N--CA 1.492 1.665 0 O-C-N 120.793 -1.192 . . . . 0.0 109.586 -179.46 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 62' ' ' GLU . . . . . 0.465 ' N ' ' O ' ' B' ' 60' ' ' LEU . 76.6 mm-40 -61.97 -40.02 94.16 Favored 'General case' 0 N--CA 1.487 1.422 0 O-C-N 121.299 -0.876 . . . . 0.0 109.543 179.908 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 41.9 p-10 -82.47 -9.26 59.5 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 121.029 -1.044 . . . . 0.0 110.049 -179.464 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 65.21 30.49 77.94 Favored Glycine 0 N--CA 1.492 2.421 0 C-N-CA 119.805 -1.188 . . . . 0.0 110.302 179.195 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 65' ' ' ASP . . . . . 0.434 ' OD2' ' O ' ' B' ' 67' ' ' GLU . 32.2 p-10 -83.6 -9.87 58.62 Favored 'General case' 0 N--CA 1.494 1.772 0 O-C-N 121.02 -1.282 . . . . 0.0 109.971 -179.87 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 73.02 6.84 69.17 Favored Glycine 0 N--CA 1.492 2.423 0 N-CA-C 110.184 -1.166 . . . . 0.0 110.184 179.395 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 67' ' ' GLU . . . . . 0.434 ' O ' ' OD2' ' B' ' 65' ' ' ASP . 16.2 pt-20 -148.27 160.25 43.15 Favored 'General case' 0 N--CA 1.495 1.814 0 O-C-N 120.879 -1.366 . . . . 0.0 109.728 -179.723 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 68' ' ' CYS . . . . . . . . . . . . . 34.4 t -99.57 113.82 26.46 Favored 'General case' 0 N--CA 1.499 2.019 0 O-C-N 121.239 -0.913 . . . . 0.0 109.387 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 70.6 m-20 -98.05 -178.05 3.94 Favored 'General case' 0 N--CA 1.499 1.994 0 O-C-N 121.267 -0.896 . . . . 0.0 109.998 -179.702 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 62.7 t80 -59.97 -45.2 93.44 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.488 -0.757 . . . . 0.0 109.988 -179.616 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 12.5 pt20 -59.98 -47.15 87.0 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 120.905 -1.122 . . . . 0.0 108.443 179.669 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 80.8 tt0 -64.59 -35.94 82.64 Favored 'General case' 0 C--N 1.301 -1.508 0 O-C-N 121.523 -0.736 . . . . 0.0 109.239 178.845 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 73' ' ' PHE . . . . . . . . . . . . . 65.0 t80 -59.92 -42.35 93.73 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 121.264 -0.898 . . . . 0.0 109.698 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 74' ' ' MET . . . . . . . . . . . . . 11.1 tpt -59.94 -40.15 87.99 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.155 -0.966 . . . . 0.0 109.182 179.765 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -60.09 -35.75 75.89 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.404 -0.81 . . . . 0.0 109.743 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 13.3 t80 -59.97 -47.94 83.74 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.22 -0.925 . . . . 0.0 108.908 -179.32 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 77' ' ' VAL . . . . . . . . . . . . . 96.0 t -65.06 -40.75 90.0 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.666 0 O-C-N 121.307 -0.87 . . . . 0.0 109.441 179.941 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 78' ' ' SER . . . . . 0.425 ' O ' HG23 ' B' ' 82' ' ' THR . 77.9 p -60.64 -36.17 78.01 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.505 -0.747 . . . . 0.0 109.728 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 79' ' ' MET . . . . . . . . . . . . . 28.2 ttt -60.05 -40.18 88.56 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.3 -0.875 . . . . 0.0 109.772 -178.782 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 54.5 t -68.41 -40.02 81.67 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.487 0 O-C-N 121.127 -0.983 . . . . 0.0 109.083 179.853 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 68.9 p -69.74 -40.68 76.03 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.271 -0.893 . . . . 0.0 110.098 -179.884 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 82' ' ' THR . . . . . 0.425 HG23 ' O ' ' B' ' 78' ' ' SER . 39.9 p -63.92 -39.65 94.65 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.155 -0.966 . . . . 0.0 109.261 179.864 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -68.52 -27.81 66.44 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.324 -0.86 . . . . 0.0 109.728 -179.812 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 84' ' ' CYS . . . . . . . . . . . . . 52.8 t -46.48 107.9 0.12 Allowed 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.277 -0.89 . . . . 0.0 109.485 -179.919 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 85' ' ' HIS . . . . . . . . . . . . . 7.1 t60 -139.41 113.99 9.18 Favored 'General case' 0 N--CA 1.496 1.848 0 O-C-N 121.272 -0.893 . . . . 0.0 108.897 179.896 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 21.5 tp10 65.61 22.27 11.7 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.556 -0.715 . . . . 0.0 109.345 -179.617 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 87' ' ' PHE . . . . . 0.42 ' O ' ' C ' ' B' ' 88' ' ' PHE . 2.6 m-85 -90.03 -80.72 0.31 Allowed 'General case' 0 N--CA 1.498 1.934 0 O-C-N 121.023 -1.048 . . . . 0.0 108.54 179.445 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 88' ' ' PHE . . . . . 0.42 ' C ' ' O ' ' B' ' 87' ' ' PHE . 94.9 m-85 . . . . . 0 N--CA 1.496 1.837 0 O-C-N 121.82 -0.55 . . . . 0.0 110.899 179.256 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 22.6 t . . . . . 0 N--CA 1.49 1.533 0 CA-C-O 121.666 0.746 . . . . 0.0 109.488 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 39.7 mt-10 -69.86 -28.9 66.04 Favored 'General case' 0 C--N 1.302 -1.49 0 O-C-N 121.575 -0.703 . . . . 0.0 109.977 179.173 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 66.2 tp -59.79 -49.79 76.35 Favored 'General case' 0 N--CA 1.496 1.835 0 O-C-N 121.315 -0.866 . . . . 0.0 109.199 -179.676 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 53.6 tp10 -62.06 -40.57 96.24 Favored 'General case' 0 C--N 1.295 -1.785 0 O-C-N 120.828 -1.17 . . . . 0.0 109.28 179.283 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 2.2 tpmt? -60.16 -42.69 95.48 Favored 'General case' 0 N--CA 1.488 1.449 0 O-C-N 121.203 -0.936 . . . . 0.0 109.916 -179.919 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -61.31 -37.81 84.58 Favored 'General case' 0 C--N 1.299 -1.602 0 O-C-N 121.091 -1.006 . . . . 0.0 109.234 179.797 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 56.6 ttm -60.83 -47.6 85.61 Favored 'General case' 0 N--CA 1.488 1.464 0 O-C-N 121.444 -0.785 . . . . 0.0 109.547 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 73.8 t -63.75 -42.8 97.17 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.857 0 O-C-N 121.433 -0.792 . . . . 0.0 109.916 -179.813 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -63.05 -39.97 96.32 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.536 -0.728 . . . . 0.0 109.617 -179.162 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 56.5 tp -59.98 -45.79 91.55 Favored 'General case' 0 C--N 1.302 -1.466 0 O-C-N 121.126 -0.984 . . . . 0.0 109.336 -179.496 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 96.4 mt -64.71 -40.98 90.93 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.906 0 O-C-N 121.256 -0.902 . . . . 0.0 110.209 -179.82 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 19.7 t0 -60.42 -44.16 96.03 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 121.282 -0.886 . . . . 0.0 110.585 -178.807 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 54.7 t -61.24 -47.62 92.66 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.489 0 O-C-N 121.066 -1.021 . . . . 0.0 109.714 -179.214 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 63.5 t80 -61.28 -49.87 75.29 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.001 -1.062 . . . . 0.0 109.38 -179.704 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . 0.448 ' O ' ' N ' ' A' ' 19' ' ' GLY . 86.7 t60 -62.98 -40.63 98.32 Favored 'General case' 0 N--CA 1.487 1.423 0 O-C-N 121.168 -0.958 . . . . 0.0 109.6 179.496 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 2.6 tp-100 -62.95 -51.83 65.37 Favored 'General case' 0 N--CA 1.493 1.718 0 O-C-N 121.234 -0.916 . . . . 0.0 110.514 -178.609 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 48.4 t80 -66.33 -48.68 69.49 Favored 'General case' 0 N--CA 1.488 1.426 0 O-C-N 120.822 -1.174 . . . . 0.0 109.528 -179.892 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . 0.424 ' O ' ' O ' ' A' ' 21' ' ' GLU . 91.7 p -67.32 -39.61 85.88 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.454 -0.779 . . . . 0.0 109.893 -179.939 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . 0.448 ' N ' ' O ' ' A' ' 15' ' ' HIS . . . -64.25 -48.52 73.76 Favored Glycine 0 N--CA 1.489 2.221 0 C-N-CA 119.746 -1.216 . . . . 0.0 111.16 -178.903 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -61.66 -41.92 98.2 Favored 'General case' 0 N--CA 1.497 1.879 0 O-C-N 120.947 -1.326 . . . . 0.0 110.376 -178.661 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.424 ' O ' ' O ' ' A' ' 18' ' ' SER . 96.1 mt-10 -103.95 130.67 51.59 Favored 'General case' 0 N--CA 1.504 2.245 0 O-C-N 121.038 -1.039 . . . . 0.0 110.103 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 80.36 -15.81 16.3 Favored Glycine 0 N--CA 1.49 2.296 0 N-CA-C 110.373 -1.091 . . . . 0.0 110.373 179.271 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 89.7 m-20 51.92 51.13 17.12 Favored 'General case' 0 N--CA 1.497 1.901 0 O-C-N 120.999 -1.295 . . . . 0.0 109.826 179.916 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . 0.412 ' HG3' ' H ' ' A' ' 25' ' ' HIS . 5.3 tptm -165.01 -173.95 3.12 Favored 'General case' 0 N--CA 1.495 1.778 0 O-C-N 120.976 -1.077 . . . . 0.0 109.186 -179.688 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' HIS . . . . . 0.412 ' H ' ' HG3' ' A' ' 24' ' ' LYS . 45.5 m80 -109.1 26.56 10.48 Favored 'General case' 0 N--CA 1.501 2.121 0 O-C-N 121.176 -0.952 . . . . 0.0 110.788 -178.582 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 22.1 pttp -130.08 154.14 47.75 Favored 'General case' 0 N--CA 1.501 2.08 0 O-C-N 121.099 -1.001 . . . . 0.0 108.881 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 38.3 mt -126.07 141.12 52.08 Favored 'General case' 0 N--CA 1.501 2.088 0 O-C-N 121.266 -0.896 . . . . 0.0 109.669 -179.071 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -96.41 -179.81 4.76 Favored 'General case' 0 N--CA 1.502 2.145 0 O-C-N 121.184 -0.947 . . . . 0.0 109.373 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 12.0 ttmm -60.15 -44.4 95.0 Favored 'General case' 0 N--CA 1.495 1.803 0 O-C-N 121.454 -0.779 . . . . 0.0 111.278 -178.558 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 73.3 m -60.05 -41.73 92.93 Favored 'General case' 0 N--CA 1.497 1.892 0 O-C-N 120.371 -1.456 . . . . 0.0 109.99 -179.085 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -70.5 -40.25 73.66 Favored 'General case' 0 N--CA 1.496 1.863 0 O-C-N 121.331 -0.856 . . . . 0.0 110.775 -179.568 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.64 HD13 ' C ' ' A' ' 32' ' ' LEU . 2.9 tm? -60.16 -41.1 92.07 Favored 'General case' 0 N--CA 1.495 1.824 0 O-C-N 121.228 -0.92 . . . . 0.0 109.691 -179.103 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 81.2 tttt -59.76 -42.41 93.22 Favored 'General case' 0 C--N 1.304 -1.38 0 O-C-N 120.231 -1.543 . . . . 0.0 108.291 178.397 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 79.4 mm-40 -65.98 -38.53 88.78 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.479 -0.763 . . . . 0.0 110.22 -179.553 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.517 HD13 ' O ' ' A' ' 35' ' ' LEU . 0.2 OUTLIER -57.89 -46.85 84.27 Favored 'General case' 0 N--CA 1.497 1.901 0 O-C-N 121.381 -0.825 . . . . 0.0 110.517 -178.597 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 96.6 mt -60.17 -49.48 83.94 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.88 0 O-C-N 120.641 -1.287 . . . . 0.0 109.67 -179.026 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 86.3 m-20 -73.92 -27.23 60.92 Favored 'General case' 0 N--CA 1.488 1.427 0 O-C-N 121.168 -0.958 . . . . 0.0 109.979 179.587 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 45.3 t30 -60.42 -48.24 82.6 Favored 'General case' 0 N--CA 1.497 1.897 0 O-C-N 120.916 -1.115 . . . . 0.0 111.809 -178.529 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 42.1 mt-10 -120.05 -27.8 5.26 Favored 'General case' 0 N--CA 1.505 2.304 0 O-C-N 121.134 -0.979 . . . . 0.0 111.475 -177.609 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 75.1 mt -103.81 52.57 0.76 Allowed 'General case' 0 N--CA 1.501 2.117 0 O-C-N 121.062 -1.024 . . . . 0.0 110.117 -178.462 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . 0.491 ' O ' ' O ' ' A' ' 44' ' ' LEU . 21.7 p -94.85 -54.63 3.4 Favored 'General case' 0 N--CA 1.5 2.061 0 O-C-N 121.146 -0.971 . . . . 0.0 110.226 179.9 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 84.0 t60 -61.07 -46.7 89.58 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 120.87 -1.144 . . . . 0.0 109.627 -179.506 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 27.0 m-85 -62.83 -40.91 98.85 Favored 'General case' 0 C--N 1.3 -1.57 0 O-C-N 121.184 -0.947 . . . . 0.0 110.381 -179.223 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.491 ' O ' ' O ' ' A' ' 41' ' ' SER . 87.8 mt -111.97 125.1 53.69 Favored 'General case' 0 N--CA 1.502 2.148 0 O-C-N 121.519 -0.738 . . . . 0.0 109.53 -179.517 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . 0.43 ' N ' ' OE2' ' A' ' 46' ' ' GLU . 85.3 tt0 -144.42 77.26 1.53 Allowed 'General case' 0 N--CA 1.495 1.782 0 CA-C-O 121.986 0.898 . . . . 0.0 109.061 179.207 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . 0.479 ' N ' ' CD ' ' A' ' 46' ' ' GLU . 1.3 pm0 -160.39 9.37 0.1 Allowed 'General case' 0 C--N 1.301 -1.533 0 O-C-N 121.05 -1.031 . . . . 0.0 109.13 179.947 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 82.5 mt -96.14 111.02 25.55 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.871 0 O-C-N 121.279 -0.888 . . . . 0.0 108.866 179.722 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 60.2 tttm -125.85 -14.87 6.07 Favored 'General case' 0 N--CA 1.496 1.847 0 N-CA-C 108.879 -0.786 . . . . 0.0 108.879 179.815 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 95.5 mt-10 -120.57 141.11 50.59 Favored 'General case' 0 N--CA 1.5 2.042 0 O-C-N 121.444 -0.785 . . . . 0.0 110.042 -179.174 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -68.01 -20.84 65.05 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.548 -0.72 . . . . 0.0 109.193 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -59.87 -40.23 87.95 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.093 -1.004 . . . . 0.0 108.956 179.43 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 70.9 t -60.02 -40.89 84.42 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.659 0 O-C-N 121.178 -0.951 . . . . 0.0 109.547 -179.587 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 54.1 t -61.18 -42.86 94.99 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.515 0 O-C-N 120.869 -1.144 . . . . 0.0 109.76 -179.52 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 90.3 m-20 -60.75 -43.05 98.43 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.401 -0.812 . . . . 0.0 109.984 -179.521 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 37.5 ttpt -61.34 -42.31 98.48 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.25 -0.906 . . . . 0.0 108.815 179.296 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 54.6 t -60.96 -40.64 86.14 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.946 0 O-C-N 121.233 -0.917 . . . . 0.0 109.776 179.773 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 81.7 mmm -61.7 -40.48 95.14 Favored 'General case' 0 C--N 1.299 -1.616 0 O-C-N 121.73 -0.606 . . . . 0.0 110.457 -179.282 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 86.5 mt-10 -61.91 -37.89 86.35 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 120.898 -1.126 . . . . 0.0 110.757 -179.698 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 88.2 m -72.53 -47.07 51.39 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 120.653 -1.28 . . . . 0.0 111.074 -178.222 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 2.2 pp -77.95 -40.1 40.51 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 120.956 -1.09 . . . . 0.0 111.053 -178.172 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . 0.403 ' CG ' ' H ' ' A' ' 64' ' ' GLY . 53.9 t0 -80.63 96.77 6.96 Favored 'General case' 0 N--CA 1.497 1.909 0 O-C-N 120.772 -1.205 . . . . 0.0 110.715 -179.461 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . 0.482 ' OE1' ' N ' ' A' ' 62' ' ' GLU . 54.1 mp0 -64.81 -39.91 94.36 Favored 'General case' 0 N--CA 1.496 1.836 0 O-C-N 121.166 -0.959 . . . . 0.0 108.974 178.632 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 95.0 m-20 -65.55 -43.69 89.13 Favored 'General case' 0 N--CA 1.503 2.188 0 O-C-N 121.002 -1.061 . . . . 0.0 109.955 -179.727 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . 0.403 ' H ' ' CG ' ' A' ' 61' ' ' ASP . . . 71.96 32.99 62.97 Favored Glycine 0 N--CA 1.492 2.387 0 N-CA-C 108.443 -1.863 . . . . 0.0 108.443 -178.745 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . 0.421 ' OD1' ' N ' ' A' ' 65' ' ' ASP . 39.0 p-10 -88.78 -2.2 58.47 Favored 'General case' 0 N--CA 1.489 1.475 0 O-C-N 121.376 -1.073 . . . . 0.0 110.036 -179.134 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 88.52 -3.65 85.18 Favored Glycine 0 N--CA 1.492 2.423 0 O-C-N 120.657 -1.277 . . . . 0.0 110.305 179.089 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 72.0 mm-40 -117.29 140.61 49.34 Favored 'General case' 0 N--CA 1.501 2.113 0 O-C-N 121.445 -1.032 . . . . 0.0 109.976 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 62.6 m -94.4 115.43 27.62 Favored 'General case' 0 N--CA 1.497 1.892 0 O-C-N 121.222 -0.924 . . . . 0.0 109.886 -179.701 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 82.3 m-20 -89.42 155.91 19.02 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.325 -0.86 . . . . 0.0 108.916 179.049 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 44.4 t80 -58.91 -44.86 91.36 Favored 'General case' 0 C--N 1.299 -1.597 0 O-C-N 121.448 -0.783 . . . . 0.0 110.01 -179.561 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 11.5 pt20 -60.92 -41.89 97.03 Favored 'General case' 0 N--CA 1.494 1.762 0 O-C-N 120.905 -1.122 . . . . 0.0 109.639 179.823 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 97.8 mt-10 -60.36 -38.64 84.48 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.313 -0.867 . . . . 0.0 109.125 178.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 54.8 t80 -60.03 -39.29 85.37 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.287 -0.883 . . . . 0.0 108.833 179.492 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 96.2 mmm -60.96 -39.43 89.52 Favored 'General case' 0 N--CA 1.496 1.837 0 O-C-N 120.542 -1.349 . . . . 0.0 108.842 179.796 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -60.25 -41.65 93.64 Favored 'General case' 0 N--CA 1.496 1.871 0 O-C-N 121.165 -0.959 . . . . 0.0 109.363 179.611 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 49.7 t80 -59.85 -42.38 93.49 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.235 -0.916 . . . . 0.0 109.542 -179.765 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 54.2 t -60.87 -40.13 84.23 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.621 0 O-C-N 121.294 -0.879 . . . . 0.0 109.473 179.812 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 59.6 p -66.96 -40.24 87.45 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 120.923 -1.111 . . . . 0.0 110.305 -179.826 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 57.0 ttp -60.78 -42.51 97.65 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 121.007 -1.058 . . . . 0.0 110.026 -179.133 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 54.3 t -64.89 -42.14 94.04 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.519 0 O-C-N 121.023 -1.048 . . . . 0.0 110.094 -179.507 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 41.3 m -66.8 -40.42 88.08 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.734 -0.604 . . . . 0.0 109.915 -179.408 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 17.1 p -63.7 -39.59 94.68 Favored 'General case' 0 C--N 1.304 -1.4 0 O-C-N 121.036 -1.04 . . . . 0.0 109.247 -179.844 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -67.35 -19.17 65.4 Favored 'General case' 0 N--CA 1.49 1.542 0 N-CA-C 108.789 -0.819 . . . . 0.0 108.789 179.852 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 84' ' ' CYS . . . . . 0.453 ' SG ' ' CD1' ' A' ' 88' ' ' PHE . 6.3 t -56.87 -171.33 0.01 OUTLIER 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.629 -0.669 . . . . 0.0 109.413 179.652 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 85' ' ' HIS . . . . . 0.494 ' CD2' ' O ' ' A' ' 87' ' ' PHE . 8.9 p-80 -134.11 175.91 9.06 Favored 'General case' 0 N--CA 1.502 2.148 0 O-C-N 121.276 -0.89 . . . . 0.0 110.168 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -53.64 -67.86 0.22 Allowed 'General case' 0 N--CA 1.497 1.888 0 O-C-N 121.678 -0.639 . . . . 0.0 111.785 -178.348 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 87' ' ' PHE . . . . . 0.494 ' O ' ' CD2' ' A' ' 85' ' ' HIS . 72.2 m-85 -88.39 114.29 24.86 Favored 'General case' 0 N--CA 1.502 2.148 0 O-C-N 120.934 -1.104 . . . . 0.0 110.619 -178.714 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . 0.453 ' CD1' ' SG ' ' A' ' 84' ' ' CYS . 15.9 t80 . . . . . 0 N--CA 1.5 2.054 0 O-C-N 121.304 -0.872 . . . . 0.0 110.267 179.27 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 36.5 t . . . . . 0 N--CA 1.493 1.712 0 CA-C-O 121.297 0.57 . . . . 0.0 109.621 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 42.1 mt-10 -69.67 -27.88 65.4 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.611 -0.681 . . . . 0.0 109.916 179.753 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 61.0 tp -59.67 -49.77 76.47 Favored 'General case' 0 N--CA 1.502 2.139 0 O-C-N 121.274 -0.891 . . . . 0.0 109.357 -179.792 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 52.7 tp10 -62.76 -40.31 96.89 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.11 -0.994 . . . . 0.0 109.459 179.457 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 2.3 tpmt? -60.69 -44.71 96.2 Favored 'General case' 0 N--CA 1.496 1.859 0 O-C-N 121.464 -0.772 . . . . 0.0 109.133 179.623 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -59.86 -38.39 82.0 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.223 -0.923 . . . . 0.0 109.067 179.353 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 7' ' ' MET . . . . . . . . . . . . . 54.5 ttm -61.07 -46.16 91.8 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.105 -0.997 . . . . 0.0 109.972 179.645 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 70.4 t -64.09 -44.21 97.64 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.976 0 O-C-N 121.285 -0.884 . . . . 0.0 109.933 -179.588 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.99 -41.05 95.7 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 121.555 -0.716 . . . . 0.0 109.979 -179.916 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 63.3 tp -60.05 -44.91 94.35 Favored 'General case' 0 N--CA 1.485 1.307 0 O-C-N 120.917 -1.114 . . . . 0.0 109.476 -179.734 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 96.2 mt -65.88 -41.22 89.57 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.562 0 O-C-N 120.806 -1.184 . . . . 0.0 110.263 -179.687 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 19.2 t0 -60.22 -43.46 95.98 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.034 -1.041 . . . . 0.0 110.581 -178.544 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 61.4 t -61.34 -47.59 92.75 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.535 0 O-C-N 120.949 -1.094 . . . . 0.0 109.693 -179.569 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 14' ' ' PHE . . . . . . . . . . . . . 67.8 t80 -60.52 -49.91 75.67 Favored 'General case' 0 C--N 1.304 -1.392 0 O-C-N 121.082 -1.012 . . . . 0.0 109.204 179.922 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 15' ' ' HIS . . . . . 0.445 ' O ' ' N ' ' B' ' 19' ' ' GLY . 86.6 t60 -63.02 -40.93 99.22 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.181 -0.949 . . . . 0.0 110.114 179.665 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 2.7 tp-100 -62.42 -52.44 63.55 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.446 -0.784 . . . . 0.0 110.008 -178.517 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 49.6 t80 -66.05 -47.84 73.03 Favored 'General case' 0 C--N 1.303 -1.422 0 O-C-N 121.095 -1.003 . . . . 0.0 109.565 -179.788 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 18' ' ' SER . . . . . 0.431 ' O ' ' O ' ' B' ' 21' ' ' GLU . 95.6 p -68.05 -39.94 82.94 Favored 'General case' 0 N--CA 1.487 1.397 0 O-C-N 121.313 -0.867 . . . . 0.0 110.067 -179.451 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 19' ' ' GLY . . . . . 0.445 ' N ' ' O ' ' B' ' 15' ' ' HIS . . . -65.5 -47.79 74.79 Favored Glycine 0 N--CA 1.486 2.032 0 C-N-CA 119.82 -1.181 . . . . 0.0 111.038 -178.681 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -61.26 -41.8 97.53 Favored 'General case' 0 N--CA 1.494 1.762 0 O-C-N 121.0 -1.294 . . . . 0.0 110.158 -178.382 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 21' ' ' GLU . . . . . 0.431 ' O ' ' O ' ' B' ' 18' ' ' SER . 94.9 mt-10 -104.75 129.89 52.91 Favored 'General case' 0 N--CA 1.503 2.19 0 O-C-N 121.156 -0.965 . . . . 0.0 109.924 -179.801 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . 81.7 -15.91 22.86 Favored Glycine 0 N--CA 1.489 2.228 0 C-N-CA 120.016 -1.087 . . . . 0.0 110.709 179.225 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 88.6 m-20 51.59 49.85 20.02 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 120.973 -1.31 . . . . 0.0 110.166 179.764 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 24' ' ' LYS . . . . . 0.405 ' HG3' ' H ' ' B' ' 25' ' ' HIS . 4.7 tptm -164.69 -175.8 3.99 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 120.981 -1.074 . . . . 0.0 108.999 179.76 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 25' ' ' HIS . . . . . 0.405 ' H ' ' HG3' ' B' ' 24' ' ' LYS . 44.5 m80 -106.02 25.76 10.54 Favored 'General case' 0 N--CA 1.5 2.063 0 O-C-N 121.253 -0.905 . . . . 0.0 111.173 -178.623 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 21.6 pttp -128.9 156.12 44.2 Favored 'General case' 0 N--CA 1.499 2.011 0 O-C-N 121.115 -0.991 . . . . 0.0 109.042 179.797 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 43.6 mt -127.58 141.08 51.73 Favored 'General case' 0 N--CA 1.502 2.161 0 O-C-N 121.64 -0.663 . . . . 0.0 110.015 -178.792 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -96.11 178.71 5.31 Favored 'General case' 0 N--CA 1.499 1.987 0 O-C-N 121.228 -0.92 . . . . 0.0 109.742 179.898 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 29' ' ' LYS . . . . . 0.437 ' HB2' ' HZ3' ' B' ' 29' ' ' LYS . 11.4 ttmm -60.3 -42.5 95.66 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.344 -0.847 . . . . 0.0 111.034 -178.639 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 69.0 m -60.7 -41.87 96.06 Favored 'General case' 0 N--CA 1.496 1.827 0 O-C-N 120.789 -1.194 . . . . 0.0 109.93 -179.267 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -70.62 -40.32 73.23 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.787 -0.571 . . . . 0.0 110.889 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 32' ' ' LEU . . . . . 0.667 ' C ' HD13 ' B' ' 32' ' ' LEU . 2.9 tm? -60.27 -41.26 92.9 Favored 'General case' 0 N--CA 1.499 1.984 0 O-C-N 121.193 -0.942 . . . . 0.0 109.475 -179.139 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 79.4 tttt -59.41 -44.62 92.82 Favored 'General case' 0 N--CA 1.49 1.543 0 N-CA-C 108.067 -1.086 . . . . 0.0 108.067 178.495 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 34' ' ' GLU . . . . . 0.4 ' O ' ' N ' ' B' ' 38' ' ' ASN . 81.6 mm-40 -64.42 -39.75 94.44 Favored 'General case' 0 C--N 1.302 -1.477 0 O-C-N 121.173 -0.954 . . . . 0.0 110.311 -179.62 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 35' ' ' LEU . . . . . 0.54 ' O ' HD13 ' B' ' 35' ' ' LEU . 0.3 OUTLIER -56.45 -48.52 76.87 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 121.354 -0.842 . . . . 0.0 110.605 -178.168 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 96.5 mt -59.36 -48.7 86.18 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.969 0 O-C-N 120.656 -1.277 . . . . 0.0 109.599 -178.708 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 88.5 m-20 -74.52 -25.87 59.62 Favored 'General case' 0 C--N 1.298 -1.671 0 O-C-N 121.057 -1.027 . . . . 0.0 110.129 179.894 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 38' ' ' ASN . . . . . 0.4 ' N ' ' O ' ' B' ' 34' ' ' GLU . 42.8 t30 -61.28 -49.64 76.24 Favored 'General case' 0 N--CA 1.495 1.812 0 O-C-N 121.135 -0.978 . . . . 0.0 111.734 -178.52 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 39.4 mt-10 -118.24 -28.96 5.67 Favored 'General case' 0 N--CA 1.502 2.149 0 O-C-N 121.325 -0.859 . . . . 0.0 111.483 -177.909 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 77.7 mt -102.14 52.06 0.82 Allowed 'General case' 0 N--CA 1.502 2.164 0 O-C-N 121.106 -0.997 . . . . 0.0 110.399 -178.276 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 41' ' ' SER . . . . . 0.451 ' O ' ' O ' ' B' ' 44' ' ' LEU . 11.9 p -94.84 -55.74 3.0 Favored 'General case' 0 N--CA 1.499 2.018 0 O-C-N 120.93 -1.106 . . . . 0.0 110.338 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 42' ' ' HIS . . . . . . . . . . . . . 84.0 t60 -59.99 -47.26 86.56 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 120.782 -1.199 . . . . 0.0 109.561 -179.3 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 27.8 m-85 -62.11 -40.08 94.7 Favored 'General case' 0 N--CA 1.495 1.777 0 O-C-N 121.211 -0.931 . . . . 0.0 110.295 -179.275 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 44' ' ' LEU . . . . . 0.451 ' O ' ' O ' ' B' ' 41' ' ' SER . 75.2 mt -113.97 124.2 51.58 Favored 'General case' 0 N--CA 1.502 2.151 0 O-C-N 121.284 -0.885 . . . . 0.0 109.638 -179.494 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 45' ' ' GLU . . . . . 0.464 ' N ' ' OE2' ' B' ' 46' ' ' GLU . 85.4 tt0 -142.82 77.66 1.58 Allowed 'General case' 0 N--CA 1.494 1.772 0 O-C-N 121.425 -0.797 . . . . 0.0 109.239 179.286 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 46' ' ' GLU . . . . . 0.508 ' N ' ' CD ' ' B' ' 46' ' ' GLU . 1.4 pm0 -160.27 8.37 0.09 Allowed 'General case' 0 N--CA 1.488 1.445 0 O-C-N 121.196 -0.94 . . . . 0.0 109.647 179.874 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 73.9 mt -94.56 114.61 31.51 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.601 0 N-CA-C 108.571 -0.9 . . . . 0.0 108.571 179.673 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 63.0 tttm -129.78 -14.53 4.03 Favored 'General case' 0 N--CA 1.501 2.082 0 N-CA-C 108.63 -0.878 . . . . 0.0 108.63 179.718 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 94.3 mt-10 -119.96 140.81 50.36 Favored 'General case' 0 N--CA 1.496 1.855 0 O-C-N 121.815 -0.553 . . . . 0.0 109.984 -179.335 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -68.5 -19.63 64.54 Favored 'General case' 0 N--CA 1.495 1.783 0 N-CA-C 108.808 -0.812 . . . . 0.0 108.808 179.625 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -60.31 -40.67 91.38 Favored 'General case' 0 C--N 1.301 -1.522 0 O-C-N 121.25 -0.906 . . . . 0.0 109.058 179.214 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 73.8 t -59.94 -41.51 86.26 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.653 0 O-C-N 121.001 -1.062 . . . . 0.0 109.504 -179.359 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 47.3 t -60.14 -44.04 94.35 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.533 0 O-C-N 121.2 -0.937 . . . . 0.0 109.843 -179.611 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 91.2 m-20 -60.86 -42.01 97.03 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.273 -0.892 . . . . 0.0 110.055 -179.6 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 38.0 ttpt -62.72 -39.98 95.76 Favored 'General case' 0 N--CA 1.497 1.889 0 O-C-N 121.267 -0.895 . . . . 0.0 109.111 179.516 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 55.7 t -63.17 -39.94 87.17 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.47 0 O-C-N 121.082 -1.011 . . . . 0.0 109.195 179.555 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 57' ' ' MET . . . . . . . . . . . . . 79.5 mmm -61.83 -40.07 93.99 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.285 -0.884 . . . . 0.0 110.621 -179.656 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 83.2 mt-10 -61.21 -39.64 91.01 Favored 'General case' 0 N--CA 1.494 1.743 0 O-C-N 121.072 -1.017 . . . . 0.0 110.619 -179.354 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 87.7 m -71.86 -45.64 60.68 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.0 -1.062 . . . . 0.0 111.671 -178.26 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 2.4 pp -79.64 -38.81 32.92 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 120.503 -1.373 . . . . 0.0 110.75 -178.282 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 53.1 t0 -80.89 97.15 7.28 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.131 -0.98 . . . . 0.0 110.541 -179.213 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 62' ' ' GLU . . . . . 0.483 ' OE1' ' N ' ' B' ' 62' ' ' GLU . 57.0 mp0 -65.61 -39.86 92.0 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.024 -1.048 . . . . 0.0 109.415 179.25 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 95.2 m-20 -65.71 -41.42 92.33 Favored 'General case' 0 N--CA 1.496 1.858 0 O-C-N 121.075 -1.016 . . . . 0.0 110.624 179.774 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 70.85 30.86 67.66 Favored Glycine 0 N--CA 1.495 2.586 0 N-CA-C 108.967 -1.653 . . . . 0.0 108.967 -178.733 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 41.6 p-10 -86.72 -3.63 59.07 Favored 'General case' 0 N--CA 1.495 1.79 0 O-C-N 121.267 -1.137 . . . . 0.0 110.798 -179.06 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 89.8 -4.01 83.29 Favored Glycine 0 N--CA 1.498 2.789 0 O-C-N 121.09 -1.006 . . . . 0.0 110.641 179.561 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 73.7 mm-40 -116.68 141.93 47.57 Favored 'General case' 0 N--CA 1.503 2.214 0 O-C-N 121.371 -1.076 . . . . 0.0 109.52 -179.506 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 68' ' ' CYS . . . . . . . . . . . . . 56.8 m -96.22 115.33 27.26 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.407 -0.808 . . . . 0.0 109.844 -179.472 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 81.0 m-20 -89.11 157.94 18.13 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.1 -1.0 . . . . 0.0 109.149 179.664 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 44.4 t80 -59.82 -44.9 93.78 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.346 -0.846 . . . . 0.0 109.716 -179.572 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 11.1 pt20 -60.81 -41.67 96.14 Favored 'General case' 0 N--CA 1.494 1.764 0 O-C-N 120.731 -1.23 . . . . 0.0 109.676 -179.805 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -60.38 -38.75 84.91 Favored 'General case' 0 C--N 1.299 -1.587 0 O-C-N 121.369 -0.832 . . . . 0.0 109.352 179.548 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 73' ' ' PHE . . . . . . . . . . . . . 58.7 t80 -60.02 -40.05 87.95 Favored 'General case' 0 C--N 1.303 -1.451 0 O-C-N 121.088 -1.008 . . . . 0.0 108.828 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 74' ' ' MET . . . . . . . . . . . . . 96.5 mmm -59.84 -40.0 87.05 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 120.721 -1.237 . . . . 0.0 109.193 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -59.93 -41.33 91.54 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.163 -0.96 . . . . 0.0 109.603 179.742 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 50.1 t80 -60.04 -42.68 94.95 Favored 'General case' 0 N--CA 1.487 1.406 0 O-C-N 121.321 -0.862 . . . . 0.0 109.315 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 77' ' ' VAL . . . . . . . . . . . . . 57.2 t -60.97 -39.52 82.41 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.667 0 O-C-N 121.24 -0.912 . . . . 0.0 109.409 179.676 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 78' ' ' SER . . . . . . . . . . . . . 79.9 p -67.23 -40.23 86.32 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 120.914 -1.116 . . . . 0.0 110.032 179.92 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 79' ' ' MET . . . . . . . . . . . . . 56.6 ttp -60.91 -41.9 97.01 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 121.257 -0.902 . . . . 0.0 110.398 -179.274 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 54.0 t -65.72 -42.83 93.38 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.552 0 O-C-N 121.14 -0.975 . . . . 0.0 109.753 -179.315 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 30.4 m -65.79 -40.13 91.66 Favored 'General case' 0 N--CA 1.499 1.987 0 O-C-N 121.272 -0.892 . . . . 0.0 109.975 179.911 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 18.1 p -63.79 -39.77 95.04 Favored 'General case' 0 N--CA 1.487 1.401 0 O-C-N 121.029 -1.044 . . . . 0.0 109.155 -179.812 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -67.49 -17.81 64.82 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.528 -0.733 . . . . 0.0 109.101 179.52 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 84' ' ' CYS . . . . . 0.449 ' SG ' ' CD1' ' B' ' 88' ' ' PHE . 5.9 t -58.81 -171.61 0.01 OUTLIER 'General case' 0 C--N 1.3 -1.547 0 O-C-N 121.532 -0.73 . . . . 0.0 109.173 179.75 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 85' ' ' HIS . . . . . 0.537 ' CD2' ' O ' ' B' ' 87' ' ' PHE . 10.8 p-80 -134.26 173.94 11.06 Favored 'General case' 0 N--CA 1.502 2.137 0 O-C-N 121.412 -0.805 . . . . 0.0 110.229 -179.948 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -51.34 -68.67 0.15 Allowed 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.582 -0.699 . . . . 0.0 111.877 -177.908 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 87' ' ' PHE . . . . . 0.537 ' O ' ' CD2' ' B' ' 85' ' ' HIS . 69.0 m-85 -87.25 116.36 25.28 Favored 'General case' 0 N--CA 1.504 2.231 0 O-C-N 120.664 -1.272 . . . . 0.0 110.864 -178.513 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 88' ' ' PHE . . . . . 0.449 ' CD1' ' SG ' ' B' ' 84' ' ' CYS . 17.0 t80 . . . . . 0 N--CA 1.503 2.205 0 O-C-N 121.036 -1.04 . . . . 0.0 110.418 179.519 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 17.9 m . . . . . 0 N--CA 1.497 1.916 0 N-CA-C 109.408 -0.59 . . . . 0.0 109.408 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 54.7 tp10 -60.77 -42.45 97.52 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.291 -0.881 . . . . 0.0 109.665 -179.869 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . 0.521 HD13 ' O ' ' A' ' 3' ' ' LEU . 0.2 OUTLIER -60.48 -42.61 96.64 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.096 -1.002 . . . . 0.0 109.303 -179.369 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 49.2 tp10 -61.26 -42.89 99.41 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.217 -0.927 . . . . 0.0 110.589 -179.238 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 61.6 tttm -60.04 -44.33 94.74 Favored 'General case' 0 N--CA 1.494 1.756 0 O-C-N 121.1 -1.0 . . . . 0.0 110.374 -178.86 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -59.99 -45.21 93.47 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.188 -0.945 . . . . 0.0 109.649 -179.362 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 57.7 tpp -60.09 -46.16 90.5 Favored 'General case' 0 C--N 1.302 -1.487 0 O-C-N 121.404 -0.81 . . . . 0.0 109.591 -179.723 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 84.5 t -69.97 -41.49 79.41 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.518 0 O-C-N 121.253 -0.904 . . . . 0.0 110.541 -178.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.05 -40.88 90.95 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.028 -1.045 . . . . 0.0 109.622 -179.524 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.486 HD13 ' O ' ' A' ' 10' ' ' LEU . 0.3 OUTLIER -60.1 -50.92 71.81 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.278 -0.889 . . . . 0.0 109.286 -179.973 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 96.6 mt -69.37 -40.73 80.4 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.651 0 O-C-N 121.119 -0.988 . . . . 0.0 109.754 -179.798 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . 0.468 ' O ' ' OE1' ' A' ' 16' ' ' GLN . 8.8 t0 -60.86 -49.8 76.02 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.307 -0.871 . . . . 0.0 110.25 -179.436 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 65.0 t -63.29 -41.84 94.24 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.574 0 O-C-N 120.792 -1.193 . . . . 0.0 109.708 -179.311 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 65.8 t80 -61.43 -48.12 82.65 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.286 -0.884 . . . . 0.0 110.946 -179.798 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 52.6 t-80 -70.68 -48.39 55.03 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.002 -1.061 . . . . 0.0 110.849 -178.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . 0.494 ' OE1' ' N ' ' A' ' 16' ' ' GLN . 9.2 mp0 -67.78 -42.95 80.87 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.036 -1.04 . . . . 0.0 110.96 -178.799 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . 0.563 ' CZ ' ' OD1' ' A' ' 38' ' ' ASN . 38.1 t80 -70.12 -41.53 73.82 Favored 'General case' 0 N--CA 1.494 1.736 0 O-C-N 120.569 -1.332 . . . . 0.0 110.739 -178.861 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 84.9 p -62.42 -39.96 95.01 Favored 'General case' 0 N--CA 1.494 1.748 0 O-C-N 121.166 -0.959 . . . . 0.0 111.056 -178.438 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -80.14 -9.98 86.01 Favored Glycine 0 N--CA 1.493 2.437 0 N-CA-C 109.575 -1.41 . . . . 0.0 109.575 -179.379 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 15.3 tpt180 -60.28 -39.94 88.68 Favored 'General case' 0 C--N 1.301 -1.533 0 O-C-N 121.434 -1.039 . . . . 0.0 109.927 -179.719 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 18.1 tt0 -97.17 1.08 49.42 Favored 'General case' 0 N--CA 1.494 1.763 0 O-C-N 121.325 -0.86 . . . . 0.0 110.115 -178.518 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 82.25 16.34 71.98 Favored Glycine 0 N--CA 1.492 2.426 0 N-CA-C 109.085 -1.606 . . . . 0.0 109.085 -179.7 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 94.8 m-20 -69.98 -16.96 63.27 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.354 -1.086 . . . . 0.0 109.371 179.878 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . 0.635 ' O ' ' CG ' ' A' ' 25' ' ' HIS . 43.5 mtmt 57.65 62.5 2.1 Favored 'General case' 0 N--CA 1.498 1.954 0 O-C-N 121.796 -0.565 . . . . 0.0 111.163 179.353 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' HIS . . . . . 0.635 ' CG ' ' O ' ' A' ' 24' ' ' LYS . 16.7 p80 49.74 44.6 24.85 Favored 'General case' 0 N--CA 1.5 2.043 0 O-C-N 121.983 -0.448 . . . . 0.0 111.926 178.635 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.415 ' C ' HD12 ' A' ' 27' ' ' LEU . 54.4 mtmt -140.37 129.38 23.43 Favored 'General case' 0 N--CA 1.503 2.223 0 O-C-N 121.092 -1.005 . . . . 0.0 108.863 177.907 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.458 ' N ' HD12 ' A' ' 27' ' ' LEU . 10.6 mp -101.77 119.62 39.08 Favored 'General case' 0 N--CA 1.502 2.172 0 O-C-N 121.039 -1.038 . . . . 0.0 109.973 -179.306 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 2.1 tppt? -114.78 178.98 4.08 Favored 'General case' 0 N--CA 1.501 2.098 0 N-CA-C 108.623 -0.88 . . . . 0.0 108.623 179.468 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 26.6 tptp -59.94 -40.84 90.32 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 120.978 -1.076 . . . . 0.0 109.91 179.699 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 87.1 p -62.24 -45.48 93.13 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 120.974 -1.079 . . . . 0.0 109.918 -179.69 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 83.1 tt0 -69.64 -39.94 76.82 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.37 -0.831 . . . . 0.0 110.691 -179.315 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 8.7 tt -60.11 -49.19 78.63 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.207 -0.933 . . . . 0.0 110.592 -177.951 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 58.0 tttm -59.93 -43.06 95.18 Favored 'General case' 0 C--N 1.302 -1.496 0 O-C-N 121.052 -1.03 . . . . 0.0 109.037 -178.965 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . 0.457 ' O ' ' ND2' ' A' ' 38' ' ' ASN . 80.4 mm-40 -70.0 -34.06 72.83 Favored 'General case' 0 C--N 1.302 -1.49 0 O-C-N 121.349 -0.844 . . . . 0.0 109.406 179.173 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 19.2 tp -60.03 -42.98 95.57 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.534 -0.729 . . . . 0.0 110.112 -178.455 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 95.7 mt -64.31 -39.93 87.26 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.65 0 O-C-N 121.064 -1.023 . . . . 0.0 110.187 -179.518 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . 0.45 ' O ' ' O ' ' A' ' 38' ' ' ASN . 3.0 m120 -69.12 -19.91 64.05 Favored 'General case' 0 N--CA 1.496 1.86 0 O-C-N 121.073 -1.017 . . . . 0.0 110.473 -179.317 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . 0.563 ' OD1' ' CZ ' ' A' ' 17' ' ' TYR . 4.4 m120 -45.75 -99.17 0.0 OUTLIER 'General case' 0 N--CA 1.494 1.76 0 O-C-N 121.209 -0.932 . . . . 0.0 111.015 -178.905 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 64.3 mm-40 -111.3 -3.28 15.38 Favored 'General case' 0 N--CA 1.496 1.865 0 O-C-N 121.514 -0.741 . . . . 0.0 109.721 -178.866 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.489 ' N ' HD12 ' A' ' 40' ' ' LEU . 10.7 mp -93.14 121.24 34.3 Favored 'General case' 0 N--CA 1.496 1.829 0 O-C-N 121.211 -0.931 . . . . 0.0 109.445 -179.732 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 2.9 t -153.3 -53.88 0.11 Allowed 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.329 -0.857 . . . . 0.0 109.19 179.554 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 94.6 m-70 -69.31 -40.14 77.85 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.608 -0.682 . . . . 0.0 110.726 -179.235 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . 0.471 ' CZ ' ' SG ' ' A' ' 84' ' ' CYS . 3.2 t80 -72.18 -43.72 64.12 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.097 -1.002 . . . . 0.0 110.467 -178.168 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -90.31 -77.7 0.39 Allowed 'General case' 0 N--CA 1.499 1.999 0 O-C-N 120.919 -1.113 . . . . 0.0 110.072 -179.693 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . 0.441 ' O ' ' C ' ' A' ' 46' ' ' GLU . 27.8 tt0 62.79 -124.85 0.64 Allowed 'General case' 0 N--CA 1.49 1.573 0 N-CA-C 108.196 -1.038 . . . . 0.0 108.196 -178.347 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . 0.441 ' C ' ' O ' ' A' ' 45' ' ' GLU . 9.2 pt-20 36.48 -149.32 0.01 OUTLIER 'General case' 0 N--CA 1.502 2.17 0 O-C-N 121.546 -0.721 . . . . 0.0 110.959 179.332 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.534 HG22 ' O ' ' A' ' 47' ' ' ILE . 41.0 mt 56.38 83.32 0.06 OUTLIER 'Isoleucine or valine' 0 N--CA 1.494 1.753 0 O-C-N 121.222 -0.924 . . . . 0.0 109.066 -179.865 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 25.8 mttm -92.65 -13.27 29.75 Favored 'General case' 0 N--CA 1.494 1.77 0 O-C-N 121.268 -0.895 . . . . 0.0 109.721 -179.216 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -141.32 156.51 45.84 Favored 'General case' 0 N--CA 1.498 1.973 0 O-C-N 121.133 -0.979 . . . . 0.0 109.936 -179.819 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . 0.531 ' OE1' ' N ' ' A' ' 50' ' ' GLN . 5.0 mp0 -69.92 -28.9 65.98 Favored 'General case' 0 N--CA 1.492 1.675 0 O-C-N 121.351 -0.843 . . . . 0.0 109.719 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 53.9 tp10 -59.93 -36.41 76.98 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.188 -0.945 . . . . 0.0 109.538 -178.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 87.5 t -60.05 -40.16 82.41 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.637 0 O-C-N 120.85 -1.156 . . . . 0.0 109.034 -179.809 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 89.8 t -61.51 -41.34 89.72 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.614 0 O-C-N 120.909 -1.119 . . . . 0.0 108.977 179.751 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 99.4 m-20 -61.12 -40.08 92.41 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.186 -0.946 . . . . 0.0 109.591 179.821 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -63.78 -40.01 95.64 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.29 -0.881 . . . . 0.0 108.971 179.807 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 55.8 t -60.05 -42.68 90.61 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.398 0 O-C-N 121.244 -0.91 . . . . 0.0 108.993 179.669 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 77.3 mmm -61.62 -45.68 93.04 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.227 -0.921 . . . . 0.0 109.88 179.114 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 46.0 mt-10 -69.99 -40.98 74.99 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.194 -0.941 . . . . 0.0 110.376 -179.69 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 94.6 m -70.26 -44.68 67.96 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.153 -0.967 . . . . 0.0 109.988 -179.675 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 51.4 tp -60.1 -50.06 75.18 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.088 -1.007 . . . . 0.0 109.646 -179.721 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . 0.428 ' OD1' ' OE1' ' A' ' 72' ' ' GLU . 96.8 m-20 -82.72 109.89 17.29 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.186 -0.946 . . . . 0.0 110.009 -179.72 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . 0.452 ' CD ' ' N ' ' A' ' 62' ' ' GLU . 5.4 mp0 -61.62 -39.99 93.25 Favored 'General case' 0 C--N 1.302 -1.468 0 O-C-N 121.473 -0.767 . . . . 0.0 109.093 179.012 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 35.3 p-10 -76.84 -10.01 59.08 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.326 -0.859 . . . . 0.0 109.059 179.857 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 54.11 50.82 53.95 Favored Glycine 0 N--CA 1.491 2.348 0 N-CA-C 110.37 -1.092 . . . . 0.0 110.37 179.104 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . 0.433 ' O ' ' OE1' ' A' ' 67' ' ' GLU . 35.4 p-10 -79.65 -12.76 59.81 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.091 -1.24 . . . . 0.0 109.784 -179.862 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 83.51 4.9 88.98 Favored Glycine 0 N--CA 1.494 2.528 0 C-N-CA 120.086 -1.054 . . . . 0.0 110.47 179.149 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . 0.433 ' OE1' ' O ' ' A' ' 65' ' ' ASP . 24.5 mp0 -138.15 153.13 49.23 Favored 'General case' 0 N--CA 1.499 1.99 0 O-C-N 121.092 -1.24 . . . . 0.0 109.205 179.558 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -118.17 122.68 43.65 Favored 'General case' 0 N--CA 1.5 2.031 0 O-C-N 121.479 -0.763 . . . . 0.0 109.72 -179.712 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 94.3 m-20 -90.03 177.91 6.34 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.526 -0.734 . . . . 0.0 109.23 179.358 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 56.7 t80 -59.99 -48.14 82.95 Favored 'General case' 0 C--N 1.302 -1.497 0 O-C-N 121.581 -0.699 . . . . 0.0 109.843 179.901 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 26.6 mm100 -59.94 -40.39 88.79 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.024 -1.047 . . . . 0.0 109.596 -179.88 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . 0.428 ' OE1' ' OD1' ' A' ' 61' ' ' ASP . 44.0 mt-10 -68.71 -39.92 80.24 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.136 -0.977 . . . . 0.0 109.057 179.233 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 93.9 t80 -59.94 -41.36 91.64 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.405 -0.81 . . . . 0.0 109.633 -179.886 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 94.2 mmm -60.09 -39.99 88.03 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.252 -0.905 . . . . 0.0 109.433 179.63 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -59.96 -40.01 87.61 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.279 -0.888 . . . . 0.0 110.144 -179.396 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 70.2 t80 -60.11 -40.54 90.05 Favored 'General case' 0 C--N 1.301 -1.541 0 O-C-N 121.192 -0.943 . . . . 0.0 110.891 -179.434 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 53.8 t -61.17 -41.01 87.8 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.723 0 O-C-N 120.871 -1.143 . . . . 0.0 109.555 -179.644 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 76.7 p -67.45 -40.01 85.4 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.182 -0.948 . . . . 0.0 110.293 -179.819 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 98.2 mtp -59.97 -43.98 94.73 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.042 -1.036 . . . . 0.0 109.977 -179.229 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 79.3 t -70.03 -40.15 78.16 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.484 0 O-C-N 121.115 -0.991 . . . . 0.0 109.558 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 86.4 m -61.0 -40.56 93.98 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 121.304 -0.873 . . . . 0.0 109.945 -179.403 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 90.0 m -60.44 -42.15 95.52 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.093 -1.004 . . . . 0.0 110.336 -178.412 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -62.56 -42.22 99.4 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 120.906 -1.121 . . . . 0.0 109.084 179.835 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 84' ' ' CYS . . . . . 0.471 ' SG ' ' CZ ' ' A' ' 43' ' ' PHE . 14.7 m -80.34 133.06 35.89 Favored 'General case' 0 N--CA 1.488 1.462 0 O-C-N 121.438 -0.789 . . . . 0.0 109.001 179.662 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 85' ' ' HIS . . . . . 0.486 ' O ' ' CB ' ' A' ' 86' ' ' GLU . 54.0 p-80 -158.54 -166.23 1.85 Allowed 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.206 -0.934 . . . . 0.0 109.861 -179.543 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . 0.49 ' C ' ' CG ' ' A' ' 87' ' ' PHE . 1.3 tm-20 79.04 20.3 0.73 Allowed 'General case' 0 N--CA 1.495 1.803 0 N-CA-C 109.043 -0.725 . . . . 0.0 109.043 -179.6 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 87' ' ' PHE . . . . . 0.493 ' CD1' ' N ' ' A' ' 87' ' ' PHE . 0.1 OUTLIER 40.29 89.93 0.01 OUTLIER 'General case' 0 N--CA 1.499 1.978 0 O-C-N 121.595 -0.691 . . . . 0.0 109.189 -179.942 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 37.1 t80 . . . . . 0 C--N 1.301 -1.523 0 O-C-N 121.384 -0.823 . . . . 0.0 109.746 -178.596 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 14.6 m . . . . . 0 N--CA 1.495 1.823 0 N-CA-C 109.362 -0.607 . . . . 0.0 109.362 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 54.6 tp10 -60.8 -42.21 97.16 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.266 -0.896 . . . . 0.0 109.673 -179.849 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 3' ' ' LEU . . . . . 0.518 HD13 ' O ' ' B' ' 3' ' ' LEU . 0.2 OUTLIER -60.67 -42.55 97.3 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.173 -0.954 . . . . 0.0 109.33 -179.175 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 49.4 tp10 -61.41 -42.7 99.16 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.184 -0.948 . . . . 0.0 110.639 -179.327 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 62.6 tttm -60.03 -44.65 94.47 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.005 -1.059 . . . . 0.0 110.409 -178.929 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -60.1 -45.18 93.82 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.193 -0.942 . . . . 0.0 109.689 -179.351 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 7' ' ' MET . . . . . . . . . . . . . 56.0 tpp -59.94 -45.78 91.53 Favored 'General case' 0 C--N 1.301 -1.526 0 O-C-N 121.394 -0.816 . . . . 0.0 109.599 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 79.3 t -70.0 -41.91 79.44 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.554 0 O-C-N 121.293 -0.879 . . . . 0.0 110.468 -179.003 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.32 -40.6 91.17 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 120.907 -1.121 . . . . 0.0 109.685 -179.471 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 10' ' ' LEU . . . . . 0.467 HD13 ' O ' ' B' ' 10' ' ' LEU . 0.3 OUTLIER -60.25 -51.23 70.43 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.191 -0.943 . . . . 0.0 109.052 -179.961 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 96.6 mt -68.78 -41.04 82.18 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.592 0 O-C-N 121.073 -1.017 . . . . 0.0 109.81 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 12' ' ' ASP . . . . . 0.466 ' O ' ' OE1' ' B' ' 16' ' ' GLN . 8.7 t0 -60.95 -49.29 78.07 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.19 -0.944 . . . . 0.0 110.342 -179.287 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 76.6 t -63.72 -42.02 94.57 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.635 0 O-C-N 120.813 -1.18 . . . . 0.0 109.695 -179.318 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 14' ' ' PHE . . . . . . . . . . . . . 64.9 t80 -60.89 -48.5 81.52 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.368 -0.832 . . . . 0.0 110.93 -179.875 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 53.3 t-80 -70.53 -48.58 54.79 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 120.917 -1.114 . . . . 0.0 110.781 -178.924 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 16' ' ' GLN . . . . . 0.499 ' N ' ' OE1' ' B' ' 16' ' ' GLN . 9.2 mp0 -67.29 -42.85 83.06 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 120.975 -1.078 . . . . 0.0 111.008 -178.942 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 17' ' ' TYR . . . . . 0.561 ' CZ ' ' OD1' ' B' ' 38' ' ' ASN . 40.2 t80 -70.46 -41.45 72.75 Favored 'General case' 0 N--CA 1.496 1.836 0 O-C-N 120.598 -1.314 . . . . 0.0 110.779 -178.879 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 83.1 p -62.24 -40.03 94.8 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.159 -0.963 . . . . 0.0 111.107 -178.583 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -80.21 -10.1 85.84 Favored Glycine 0 N--CA 1.493 2.471 0 N-CA-C 109.693 -1.363 . . . . 0.0 109.693 -179.413 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 14.9 tpt180 -59.96 -40.11 87.89 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.429 -1.042 . . . . 0.0 109.84 -179.722 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 14.0 tt0 -96.77 0.29 49.21 Favored 'General case' 0 N--CA 1.495 1.775 0 O-C-N 121.476 -0.765 . . . . 0.0 110.058 -178.55 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . 82.28 16.79 70.71 Favored Glycine 0 N--CA 1.492 2.425 0 N-CA-C 109.185 -1.566 . . . . 0.0 109.185 -179.459 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 94.9 m-20 -69.99 -16.75 63.23 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.523 -0.986 . . . . 0.0 109.226 179.726 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 24' ' ' LYS . . . . . 0.635 ' O ' ' CG ' ' B' ' 25' ' ' HIS . 42.1 mtmt 57.48 62.33 2.19 Favored 'General case' 0 N--CA 1.497 1.882 0 O-C-N 121.775 -0.578 . . . . 0.0 111.096 179.352 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 25' ' ' HIS . . . . . 0.635 ' CG ' ' O ' ' B' ' 24' ' ' LYS . 17.0 p80 49.61 45.05 24.55 Favored 'General case' 0 N--CA 1.5 2.061 0 CA-C-O 121.082 0.468 . . . . 0.0 111.983 178.678 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 26' ' ' LYS . . . . . 0.408 ' C ' HD12 ' B' ' 27' ' ' LEU . 54.7 mtmt -140.44 129.68 23.72 Favored 'General case' 0 N--CA 1.502 2.161 0 O-C-N 121.157 -0.964 . . . . 0.0 108.739 177.729 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 27' ' ' LEU . . . . . 0.436 HD12 ' N ' ' B' ' 27' ' ' LEU . 10.8 mp -101.86 119.5 38.89 Favored 'General case' 0 N--CA 1.501 2.087 0 O-C-N 121.057 -1.027 . . . . 0.0 109.924 -179.571 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 2.4 tppt? -115.04 179.06 4.06 Favored 'General case' 0 N--CA 1.5 2.073 0 N-CA-C 108.554 -0.906 . . . . 0.0 108.554 179.546 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 26.9 tptp -60.0 -40.48 89.34 Favored 'General case' 0 N--CA 1.495 1.814 0 O-C-N 120.846 -1.159 . . . . 0.0 109.952 179.776 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 81.1 p -62.24 -45.98 90.92 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.125 -0.984 . . . . 0.0 109.988 -179.631 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 84.2 tt0 -69.8 -39.98 76.24 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.367 -0.833 . . . . 0.0 110.731 -179.16 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 9.1 tt -60.04 -48.84 80.03 Favored 'General case' 0 N--CA 1.495 1.82 0 O-C-N 121.115 -0.99 . . . . 0.0 110.533 -178.087 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 53.4 tttm -59.92 -43.4 94.93 Favored 'General case' 0 C--N 1.301 -1.529 0 O-C-N 120.984 -1.073 . . . . 0.0 108.986 -179.13 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 34' ' ' GLU . . . . . 0.466 ' O ' ' ND2' ' B' ' 38' ' ' ASN . 80.8 mm-40 -69.92 -34.51 73.56 Favored 'General case' 0 C--N 1.301 -1.528 0 O-C-N 121.454 -0.779 . . . . 0.0 109.394 179.213 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 16.4 tp -59.97 -42.29 93.79 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.512 -0.742 . . . . 0.0 109.988 -178.496 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 96.8 mt -64.56 -40.04 87.67 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.689 0 O-C-N 120.998 -1.064 . . . . 0.0 110.206 -179.606 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 37' ' ' ASN . . . . . 0.461 ' O ' ' O ' ' B' ' 38' ' ' ASN . 3.1 m120 -68.86 -19.93 64.26 Favored 'General case' 0 N--CA 1.495 1.778 0 O-C-N 121.008 -1.058 . . . . 0.0 110.659 -179.289 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 38' ' ' ASN . . . . . 0.561 ' OD1' ' CZ ' ' B' ' 17' ' ' TYR . 4.1 m120 -45.37 -99.57 0.0 OUTLIER 'General case' 0 N--CA 1.494 1.763 0 O-C-N 121.252 -0.905 . . . . 0.0 110.979 -178.854 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 62.2 mm-40 -111.21 -2.94 15.57 Favored 'General case' 0 N--CA 1.495 1.79 0 O-C-N 121.495 -0.753 . . . . 0.0 109.704 -179.028 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 40' ' ' LEU . . . . . 0.526 HD12 ' N ' ' B' ' 40' ' ' LEU . 10.5 mp -93.25 121.81 35.0 Favored 'General case' 0 N--CA 1.496 1.868 0 O-C-N 121.148 -0.97 . . . . 0.0 109.41 -179.902 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 3.2 t -153.79 -53.74 0.1 Allowed 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.404 -0.81 . . . . 0.0 109.21 179.637 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 42' ' ' HIS . . . . . . . . . . . . . 93.0 m-70 -69.66 -40.13 76.63 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.568 -0.708 . . . . 0.0 110.55 -179.257 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 43' ' ' PHE . . . . . 0.423 ' CZ ' ' SG ' ' B' ' 84' ' ' CYS . 3.0 t80 -71.7 -43.74 65.41 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.199 -0.938 . . . . 0.0 110.594 -178.165 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -90.84 -77.74 0.4 Allowed 'General case' 0 N--CA 1.499 1.99 0 O-C-N 120.972 -1.08 . . . . 0.0 110.084 -179.574 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 45' ' ' GLU . . . . . 0.438 ' O ' ' C ' ' B' ' 46' ' ' GLU . 28.3 tt0 63.19 -124.4 0.59 Allowed 'General case' 0 N--CA 1.491 1.589 0 N-CA-C 108.186 -1.042 . . . . 0.0 108.186 -178.41 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 46' ' ' GLU . . . . . 0.438 ' C ' ' O ' ' B' ' 45' ' ' GLU . 9.0 pt-20 36.01 -148.71 0.01 OUTLIER 'General case' 0 N--CA 1.502 2.174 0 O-C-N 121.578 -0.701 . . . . 0.0 111.007 179.466 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 47' ' ' ILE . . . . . 0.485 HG22 ' O ' ' B' ' 47' ' ' ILE . 46.1 mt 55.91 83.8 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.495 1.787 0 O-C-N 121.224 -0.923 . . . . 0.0 108.924 -179.72 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 26.9 mttm -93.04 -13.37 28.73 Favored 'General case' 0 N--CA 1.494 1.765 0 O-C-N 121.261 -0.9 . . . . 0.0 109.574 -179.295 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -141.24 156.23 45.92 Favored 'General case' 0 N--CA 1.499 2.011 0 O-C-N 121.155 -0.966 . . . . 0.0 109.978 -179.78 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 50' ' ' GLN . . . . . 0.54 ' N ' ' OE1' ' B' ' 50' ' ' GLN . 5.1 mp0 -69.96 -28.54 65.63 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.382 -0.824 . . . . 0.0 109.816 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 53.7 tp10 -59.98 -36.42 77.12 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.098 -1.002 . . . . 0.0 109.362 -179.07 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 83.1 t -59.95 -40.14 82.15 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.69 0 O-C-N 120.908 -1.12 . . . . 0.0 109.197 -179.765 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 72.0 t -61.59 -41.31 89.76 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.632 0 O-C-N 120.889 -1.132 . . . . 0.0 108.903 179.595 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 99.4 m-20 -60.85 -40.01 91.28 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.278 -0.889 . . . . 0.0 109.721 179.792 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -63.9 -40.01 95.51 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.276 -0.89 . . . . 0.0 108.968 179.634 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 55.3 t -60.03 -43.31 92.35 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.416 0 O-C-N 121.303 -0.873 . . . . 0.0 108.903 179.91 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 57' ' ' MET . . . . . . . . . . . . . 74.3 mmm -61.13 -45.63 93.87 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.239 -0.913 . . . . 0.0 109.908 179.071 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -69.75 -41.24 75.5 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.218 -0.926 . . . . 0.0 110.45 -179.65 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 94.1 m -70.14 -45.26 67.17 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.202 -0.936 . . . . 0.0 110.183 -179.785 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 54.1 tp -59.98 -49.99 75.51 Favored 'General case' 0 N--CA 1.488 1.46 0 O-C-N 121.109 -0.995 . . . . 0.0 109.652 -179.67 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 61' ' ' ASP . . . . . 0.426 ' OD1' ' OE1' ' B' ' 72' ' ' GLU . 97.0 m-20 -82.33 109.8 16.91 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.082 -1.011 . . . . 0.0 110.076 -179.854 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 62' ' ' GLU . . . . . 0.453 ' N ' ' CD ' ' B' ' 62' ' ' GLU . 5.6 mp0 -62.18 -39.95 94.41 Favored 'General case' 0 N--CA 1.487 1.413 0 O-C-N 121.449 -0.782 . . . . 0.0 109.068 179.047 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 35.1 p-10 -76.8 -10.02 59.08 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.345 -0.847 . . . . 0.0 109.024 179.811 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 53.99 51.35 50.42 Favored Glycine 0 N--CA 1.492 2.378 0 N-CA-C 110.355 -1.098 . . . . 0.0 110.355 178.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 65' ' ' ASP . . . . . 0.44 ' O ' ' OE1' ' B' ' 67' ' ' GLU . 37.0 p-10 -80.0 -12.24 59.72 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 120.95 -1.323 . . . . 0.0 109.93 -179.94 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 83.44 4.85 89.11 Favored Glycine 0 N--CA 1.494 2.56 0 C-N-CA 120.08 -1.057 . . . . 0.0 110.474 179.351 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 67' ' ' GLU . . . . . 0.44 ' OE1' ' O ' ' B' ' 65' ' ' ASP . 24.4 mp0 -138.19 153.6 49.16 Favored 'General case' 0 N--CA 1.5 2.072 0 O-C-N 121.113 -1.227 . . . . 0.0 109.304 179.613 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 68' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -118.87 122.6 42.69 Favored 'General case' 0 N--CA 1.5 2.057 0 O-C-N 121.513 -0.742 . . . . 0.0 109.687 -179.874 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 94.1 m-20 -89.9 178.1 6.31 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.405 -0.809 . . . . 0.0 109.216 179.39 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 56.8 t80 -59.91 -48.17 82.79 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.46 -0.775 . . . . 0.0 109.834 179.922 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 25.4 mm100 -60.39 -40.02 89.36 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.0 -1.062 . . . . 0.0 109.497 -179.706 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 72' ' ' GLU . . . . . 0.426 ' OE1' ' OD1' ' B' ' 61' ' ' ASP . 45.1 mt-10 -68.71 -39.91 80.21 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.127 -0.983 . . . . 0.0 108.93 179.125 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 73' ' ' PHE . . . . . . . . . . . . . 93.8 t80 -59.96 -41.38 91.82 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.541 -0.724 . . . . 0.0 109.73 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 74' ' ' MET . . . . . . . . . . . . . 94.2 mmm -60.24 -39.97 88.59 Favored 'General case' 0 C--N 1.302 -1.48 0 O-C-N 121.231 -0.918 . . . . 0.0 109.412 179.784 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -60.12 -40.0 88.19 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.257 -0.902 . . . . 0.0 110.116 -179.492 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 68.2 t80 -60.04 -40.24 88.7 Favored 'General case' 0 C--N 1.302 -1.488 0 O-C-N 121.228 -0.92 . . . . 0.0 110.792 -179.24 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 77' ' ' VAL . . . . . . . . . . . . . 54.3 t -61.06 -41.83 90.76 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.741 0 O-C-N 120.878 -1.139 . . . . 0.0 109.692 -179.748 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 78' ' ' SER . . . . . . . . . . . . . 66.1 p -67.01 -39.92 87.19 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.152 -0.968 . . . . 0.0 110.249 -179.708 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 79' ' ' MET . . . . . . . . . . . . . 98.2 mtp -60.01 -43.54 95.16 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.104 -0.998 . . . . 0.0 109.843 -178.881 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 70.2 t -70.1 -40.59 78.5 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.511 0 O-C-N 121.099 -1.001 . . . . 0.0 109.579 179.887 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 92.5 m -61.14 -40.02 92.25 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.15 -0.969 . . . . 0.0 110.149 -179.142 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 87.3 m -60.32 -42.37 95.48 Favored 'General case' 0 N--CA 1.494 1.739 0 O-C-N 121.131 -0.981 . . . . 0.0 110.322 -178.915 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -62.55 -42.19 99.37 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 120.886 -1.134 . . . . 0.0 109.085 -179.919 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 84' ' ' CYS . . . . . 0.423 ' SG ' ' CZ ' ' B' ' 43' ' ' PHE . 14.7 m -80.56 133.38 35.78 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.446 -0.784 . . . . 0.0 108.893 179.629 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 85' ' ' HIS . . . . . 0.489 ' O ' ' CB ' ' B' ' 86' ' ' GLU . 53.6 p-80 -158.6 -165.9 1.77 Allowed 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.098 -1.001 . . . . 0.0 109.856 -179.575 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 86' ' ' GLU . . . . . 0.492 ' C ' ' CG ' ' B' ' 87' ' ' PHE . 1.4 tm-20 78.37 21.17 0.84 Allowed 'General case' 0 N--CA 1.494 1.756 0 O-C-N 121.607 -0.683 . . . . 0.0 109.186 -179.692 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 87' ' ' PHE . . . . . 0.495 ' CD1' ' N ' ' B' ' 87' ' ' PHE . 0.1 OUTLIER 39.93 90.04 0.01 OUTLIER 'General case' 0 N--CA 1.502 2.129 0 N-CA-C 109.267 -0.642 . . . . 0.0 109.267 179.919 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 36.2 t80 . . . . . 0 C--N 1.299 -1.596 0 O-C-N 121.398 -0.814 . . . . 0.0 109.682 -178.738 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 36.2 m . . . . . 0 N--CA 1.49 1.537 0 N-CA-C 109.084 -0.71 . . . . 0.0 109.084 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 13.9 pt-20 -66.44 -39.24 88.77 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.318 -0.864 . . . . 0.0 110.535 -179.329 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 25.2 tp -59.88 -44.98 93.89 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 120.903 -1.123 . . . . 0.0 108.883 -179.419 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 39.3 mm-40 -59.99 -40.23 88.44 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.308 -0.87 . . . . 0.0 109.906 -179.325 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 59.8 tttm -62.17 -40.03 94.65 Favored 'General case' 0 C--N 1.302 -1.459 0 O-C-N 121.119 -0.988 . . . . 0.0 109.595 -179.521 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -69.54 -40.05 77.08 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.101 -0.999 . . . . 0.0 109.501 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 9.7 ttp -66.78 -40.01 88.01 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.161 -0.962 . . . . 0.0 108.792 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 54.5 t -67.43 -39.96 83.62 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.565 0 O-C-N 121.416 -0.802 . . . . 0.0 109.221 179.209 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -57.02 -39.97 75.77 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.239 -0.913 . . . . 0.0 109.988 -178.737 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 98.0 mt -60.11 -42.74 95.39 Favored 'General case' 0 C--N 1.301 -1.501 0 O-C-N 120.754 -1.216 . . . . 0.0 108.398 179.489 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 93.3 mt -73.65 -42.34 55.15 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.62 0 O-C-N 121.339 -0.851 . . . . 0.0 110.087 179.24 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -69.95 -40.57 75.39 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.24 -0.912 . . . . 0.0 110.202 -179.039 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 54.5 t -65.2 -39.95 87.13 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.668 0 O-C-N 121.334 -0.854 . . . . 0.0 109.666 -179.873 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 46.7 t80 -59.95 -44.21 94.54 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.203 -0.936 . . . . 0.0 109.646 -179.005 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 3.9 m-70 -61.57 -49.09 78.05 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.109 -0.994 . . . . 0.0 109.639 -179.94 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 4.7 tp-100 -69.91 -41.19 75.02 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.371 -0.831 . . . . 0.0 110.037 -179.706 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 9.5 t80 -69.92 -40.01 75.82 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.111 -0.993 . . . . 0.0 109.487 -179.287 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . 0.497 ' C ' ' H ' ' A' ' 20' ' ' ARG . 59.2 p -71.42 -37.06 71.49 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.124 -0.985 . . . . 0.0 109.953 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -68.39 15.54 0.58 Allowed Glycine 0 N--CA 1.493 2.469 0 N-CA-C 110.382 -1.087 . . . . 0.0 110.382 -179.147 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . 0.497 ' H ' ' C ' ' A' ' 18' ' ' SER . 1.5 tpt180 -60.01 -40.08 88.04 Favored 'General case' 0 C--N 1.3 -1.55 0 O-C-N 121.128 -1.219 . . . . 0.0 109.117 -179.829 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -135.61 -164.65 1.57 Allowed 'General case' 0 N--CA 1.498 1.96 0 O-C-N 121.465 -0.772 . . . . 0.0 109.716 -179.57 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -58.79 -29.04 63.95 Favored Glycine 0 N--CA 1.491 2.303 0 N-CA-C 110.441 -1.064 . . . . 0.0 110.441 -179.579 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 84.2 m-20 -70.17 103.54 2.36 Favored 'General case' 0 N--CA 1.494 1.749 0 O-C-N 120.885 -1.362 . . . . 0.0 109.382 -179.721 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 47.6 tttp -103.4 -34.54 8.7 Favored 'General case' 0 N--CA 1.499 1.986 0 O-C-N 121.45 -0.781 . . . . 0.0 110.648 -179.228 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 91.4 m-70 -94.53 -1.07 54.08 Favored 'General case' 0 N--CA 1.501 2.104 0 O-C-N 120.793 -1.192 . . . . 0.0 111.593 -178.272 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 58.9 pttt -150.82 161.69 42.18 Favored 'General case' 0 N--CA 1.499 1.988 0 O-C-N 120.48 -1.388 . . . . 0.0 110.78 -179.621 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 84.7 mt -115.91 137.12 52.4 Favored 'General case' 0 N--CA 1.498 1.952 0 N-CA-C 108.967 -0.753 . . . . 0.0 108.967 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 8.7 mtmp? -94.96 179.78 5.11 Favored 'General case' 0 N--CA 1.497 1.913 0 O-C-N 121.09 -1.006 . . . . 0.0 109.342 179.87 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 34.6 ttmt -59.97 -40.06 87.79 Favored 'General case' 0 N--CA 1.495 1.794 0 O-C-N 121.339 -0.851 . . . . 0.0 110.668 -179.3 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . 0.43 ' OG ' ' OE1' ' A' ' 31' ' ' GLU . 91.7 p -59.9 -40.04 87.4 Favored 'General case' 0 N--CA 1.494 1.774 0 O-C-N 120.952 -1.092 . . . . 0.0 110.464 -178.64 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . 0.55 ' OE1' ' N ' ' A' ' 31' ' ' GLU . 7.6 mp0 -66.84 -37.29 84.2 Favored 'General case' 0 C--N 1.299 -1.621 0 O-C-N 120.891 -1.131 . . . . 0.0 109.765 179.916 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 28.9 tp -60.0 -47.66 84.9 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.411 -0.806 . . . . 0.0 111.311 -177.752 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 51.4 pttt -69.36 -35.15 75.56 Favored 'General case' 0 N--CA 1.496 1.825 0 O-C-N 120.593 -1.317 . . . . 0.0 110.265 -178.423 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 24.9 mm-40 -61.43 -40.3 93.94 Favored 'General case' 0 N--CA 1.498 1.925 0 O-C-N 120.87 -1.144 . . . . 0.0 110.403 179.806 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 9.9 tp -60.07 -45.46 92.8 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.056 -1.027 . . . . 0.0 109.447 -179.161 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 96.1 mt -61.49 -40.01 84.93 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.632 0 O-C-N 121.276 -0.89 . . . . 0.0 111.917 -178.72 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 83.3 m-20 -67.19 -62.76 1.27 Allowed 'General case' 0 N--CA 1.496 1.865 0 O-C-N 120.937 -1.102 . . . . 0.0 113.951 -176.3 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 33.2 p-10 -81.6 -21.52 38.3 Favored 'General case' 0 N--CA 1.502 2.169 0 N-CA-C 114.448 1.277 . . . . 0.0 114.448 -175.887 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 63.3 mm-40 -92.33 -1.64 56.92 Favored 'General case' 0 N--CA 1.506 2.325 0 O-C-N 120.107 -1.621 . . . . 0.0 111.471 -177.916 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.45 ' N ' ' CD2' ' A' ' 40' ' ' LEU . 1.2 mm? -99.86 120.44 39.77 Favored 'General case' 0 N--CA 1.5 2.041 0 O-C-N 120.992 -1.068 . . . . 0.0 108.684 179.101 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 18.4 p -77.35 -62.34 1.69 Allowed 'General case' 0 N--CA 1.488 1.444 0 O-C-N 121.47 -0.769 . . . . 0.0 110.262 -179.293 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 65.4 m80 -142.13 -5.38 0.99 Allowed 'General case' 0 N--CA 1.498 1.971 0 O-C-N 121.128 -0.982 . . . . 0.0 110.447 -179.356 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 42.8 m-85 -60.07 -41.22 91.92 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 120.925 -1.11 . . . . 0.0 109.743 -179.481 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 22.4 mt -142.3 -85.68 0.16 Allowed 'General case' 0 N--CA 1.5 2.07 0 O-C-N 121.139 -0.976 . . . . 0.0 109.58 -179.564 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . 0.408 ' O ' ' OE1' ' A' ' 45' ' ' GLU . 2.1 tm-20 61.19 20.58 11.11 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.303 -0.873 . . . . 0.0 109.572 -179.704 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 12.8 tp10 -98.47 -138.59 0.3 Allowed 'General case' 0 N--CA 1.499 1.991 0 O-C-N 121.214 -0.929 . . . . 0.0 109.096 179.888 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 65.7 mt 58.67 113.67 0.02 OUTLIER 'Isoleucine or valine' 0 N--CA 1.498 1.937 0 O-C-N 121.694 -0.628 . . . . 0.0 111.144 178.863 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 26.8 mttm -131.48 -34.17 1.4 Allowed 'General case' 0 N--CA 1.499 2.023 0 O-C-N 121.48 -0.762 . . . . 0.0 109.496 178.737 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 30.1 mp0 -86.87 145.53 26.54 Favored 'General case' 0 N--CA 1.498 1.929 0 O-C-N 121.045 -1.034 . . . . 0.0 110.307 -179.706 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 21.9 mp0 -68.98 -31.13 69.75 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.47 -0.769 . . . . 0.0 109.655 -179.905 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 -59.91 -40.09 87.63 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.216 -0.928 . . . . 0.0 109.634 -179.112 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 54.0 t -60.86 -42.73 93.66 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.617 0 O-C-N 121.223 -0.923 . . . . 0.0 109.789 -179.762 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 55.8 t -66.38 -43.13 91.43 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.622 0 O-C-N 121.059 -1.025 . . . . 0.0 109.913 -179.471 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 58.9 t0 -59.99 -43.68 94.99 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.168 -0.957 . . . . 0.0 109.812 -179.115 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 17.6 tptm -68.59 -40.62 80.43 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.2 -0.938 . . . . 0.0 109.803 -179.37 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 54.4 t -69.89 -47.98 66.37 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.706 0 O-C-N 121.209 -0.932 . . . . 0.0 110.18 -179.74 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -60.07 -40.09 88.28 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.037 -1.039 . . . . 0.0 109.805 -179.292 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 86.3 tt0 -62.91 -40.23 96.96 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.197 -0.94 . . . . 0.0 109.912 -179.891 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 94.5 m -69.95 -40.19 75.59 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.345 -0.847 . . . . 0.0 110.757 -179.233 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 60.6 tp -63.94 -39.99 95.42 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.023 -1.048 . . . . 0.0 110.076 -178.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 34.8 m-20 -73.17 99.94 2.95 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 120.858 -1.151 . . . . 0.0 109.507 -179.206 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 49.7 tp10 -64.07 -39.99 95.27 Favored 'General case' 0 C--N 1.302 -1.482 0 O-C-N 121.55 -0.718 . . . . 0.0 109.755 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 45.6 p-10 -86.61 -6.41 58.88 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 121.14 -0.975 . . . . 0.0 109.92 -179.366 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 55.19 44.6 84.05 Favored Glycine 0 N--CA 1.491 2.324 0 N-CA-C 109.896 -1.281 . . . . 0.0 109.896 179.642 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . 0.434 ' OD2' ' O ' ' A' ' 67' ' ' GLU . 50.9 p-10 -72.52 -9.96 59.2 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.004 -1.292 . . . . 0.0 109.156 179.93 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 73.77 5.6 69.72 Favored Glycine 0 N--CA 1.492 2.386 0 N-CA-C 110.41 -1.076 . . . . 0.0 110.41 178.885 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . 0.434 ' O ' ' OD2' ' A' ' 65' ' ' ASP . 12.7 pt-20 -149.58 159.25 44.48 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.043 -1.269 . . . . 0.0 109.615 -179.902 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 79.4 m -105.95 111.23 23.79 Favored 'General case' 0 N--CA 1.496 1.839 0 O-C-N 121.489 -0.757 . . . . 0.0 109.072 179.793 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . 0.494 ' OD1' ' N ' ' A' ' 70' ' ' PHE . 10.3 t70 -89.38 178.38 6.34 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.374 -0.829 . . . . 0.0 109.332 -179.916 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' PHE . . . . . 0.494 ' N ' ' OD1' ' A' ' 69' ' ' ASP . 70.8 t80 -59.96 -46.0 90.83 Favored 'General case' 0 C--N 1.302 -1.475 0 O-C-N 121.203 -0.935 . . . . 0.0 109.433 -179.531 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 60.6 tt0 -61.71 -40.04 93.63 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.034 -1.041 . . . . 0.0 108.683 178.904 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 73.9 mm-40 -59.99 -37.43 79.65 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.476 -0.765 . . . . 0.0 109.915 179.873 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 64.1 t80 -59.68 -44.43 93.63 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.148 -0.97 . . . . 0.0 109.359 -179.087 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 11.6 tpt -59.98 -40.05 87.79 Favored 'General case' 0 C--N 1.302 -1.484 0 N-CA-C 108.522 -0.918 . . . . 0.0 108.522 178.84 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -61.39 -36.34 80.0 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.582 -0.699 . . . . 0.0 110.432 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 26.0 t80 -59.98 -49.85 76.07 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 120.942 -1.099 . . . . 0.0 109.574 -178.784 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 95.7 t -62.59 -40.27 87.71 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.478 0 O-C-N 121.078 -1.014 . . . . 0.0 110.048 -179.601 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 79.8 p -64.15 -39.93 95.07 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.17 -0.956 . . . . 0.0 110.917 -178.923 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 4.2 tpt -60.02 -43.68 95.1 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 120.867 -1.146 . . . . 0.0 109.54 -179.442 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 72.3 t -69.93 -39.99 78.21 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.493 0 O-C-N 121.17 -0.956 . . . . 0.0 109.656 -179.735 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 94.3 m -67.45 -40.06 85.39 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.121 -0.987 . . . . 0.0 110.148 -179.369 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 33.1 p -65.59 -39.99 92.19 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.024 -1.048 . . . . 0.0 109.365 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -62.06 -39.89 93.92 Favored 'General case' 0 N--CA 1.487 1.415 0 O-C-N 121.367 -0.833 . . . . 0.0 109.077 179.433 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 19.1 t -76.89 130.39 37.51 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.364 -0.835 . . . . 0.0 109.497 179.884 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 85' ' ' HIS . . . . . 0.423 ' C ' ' N ' ' A' ' 87' ' ' PHE . 21.1 m170 -113.73 174.69 5.8 Favored 'General case' 0 N--CA 1.498 1.929 0 O-C-N 121.589 -0.694 . . . . 0.0 109.309 -179.788 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . 0.535 ' O ' ' N ' ' A' ' 88' ' ' PHE . 44.4 tp10 -50.0 -20.23 0.9 Allowed 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.201 -0.937 . . . . 0.0 108.489 179.525 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 87' ' ' PHE . . . . . 0.474 ' CD1' ' O ' ' A' ' 87' ' ' PHE . 51.6 t80 -46.87 -12.45 0.02 OUTLIER 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.605 -0.684 . . . . 0.0 109.863 179.355 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . 0.535 ' N ' ' O ' ' A' ' 86' ' ' GLU . 62.2 t80 . . . . . 0 N--CA 1.49 1.542 0 O-C-N 121.307 -0.871 . . . . 0.0 110.408 -179.094 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 26.9 m . . . . . 0 N--CA 1.49 1.547 0 N-CA-C 108.918 -0.771 . . . . 0.0 108.918 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 13.9 pt-20 -67.27 -38.91 85.88 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.334 -0.854 . . . . 0.0 110.493 -179.289 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 28.3 tp -59.99 -44.83 94.26 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 120.908 -1.12 . . . . 0.0 108.892 -179.491 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 39.8 mm-40 -60.22 -40.1 89.0 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.216 -0.928 . . . . 0.0 109.983 -179.362 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 59.9 tttm -62.15 -39.93 94.25 Favored 'General case' 0 C--N 1.302 -1.467 0 O-C-N 121.228 -0.92 . . . . 0.0 109.845 -179.744 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -69.64 -39.97 76.79 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.115 -0.991 . . . . 0.0 109.465 179.911 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 7' ' ' MET . . . . . . . . . . . . . 11.0 ttp -66.86 -40.01 87.75 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.311 -0.868 . . . . 0.0 108.729 -179.747 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 54.6 t -67.55 -40.05 83.56 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.622 0 O-C-N 121.423 -0.798 . . . . 0.0 109.186 179.272 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -57.02 -40.06 75.96 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.307 -0.871 . . . . 0.0 109.904 -178.622 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 93.8 mt -59.99 -42.98 95.41 Favored 'General case' 0 C--N 1.301 -1.506 0 O-C-N 120.904 -1.122 . . . . 0.0 108.467 179.4 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 91.8 mt -73.25 -42.65 57.9 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.589 0 O-C-N 121.44 -0.787 . . . . 0.0 110.043 179.252 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -69.71 -40.66 76.14 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.275 -0.89 . . . . 0.0 110.19 -179.023 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 54.6 t -65.07 -39.98 87.43 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.558 0 O-C-N 121.153 -0.967 . . . . 0.0 109.672 -179.87 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 14' ' ' PHE . . . . . . . . . . . . . 47.5 t80 -60.04 -44.27 94.76 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.242 -0.911 . . . . 0.0 109.615 -178.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 3.8 m-70 -61.47 -49.08 78.22 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.105 -0.997 . . . . 0.0 109.51 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 4.6 tp-100 -70.02 -40.97 74.89 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.375 -0.828 . . . . 0.0 110.071 -179.647 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 9.6 t80 -69.95 -40.09 75.65 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.299 -0.876 . . . . 0.0 109.352 -179.319 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 18' ' ' SER . . . . . 0.506 ' C ' ' H ' ' B' ' 20' ' ' ARG . 60.6 p -71.32 -37.09 71.78 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.113 -0.992 . . . . 0.0 110.054 -179.911 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -68.27 15.39 0.57 Allowed Glycine 0 N--CA 1.493 2.492 0 N-CA-C 110.368 -1.093 . . . . 0.0 110.368 -179.121 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 20' ' ' ARG . . . . . 0.506 ' H ' ' C ' ' B' ' 18' ' ' SER . 1.4 tpt180 -59.97 -40.04 87.73 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 121.119 -1.224 . . . . 0.0 109.061 -179.793 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -135.49 -163.97 1.47 Allowed 'General case' 0 N--CA 1.496 1.871 0 O-C-N 121.465 -0.772 . . . . 0.0 109.844 -179.601 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . -59.54 -28.56 65.26 Favored Glycine 0 N--CA 1.493 2.476 0 N-CA-C 110.269 -1.133 . . . . 0.0 110.269 -179.471 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 83.9 m-20 -70.61 104.03 2.69 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 120.962 -1.316 . . . . 0.0 109.286 -179.827 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 45.2 tttp -104.02 -34.27 8.5 Favored 'General case' 0 N--CA 1.496 1.841 0 O-C-N 121.549 -0.72 . . . . 0.0 110.687 -179.248 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 25' ' ' HIS . . . . . . . . . . . . . 91.2 m-70 -94.71 -1.05 53.77 Favored 'General case' 0 N--CA 1.5 2.053 0 O-C-N 120.902 -1.124 . . . . 0.0 111.56 -178.32 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 59.2 pttt -150.75 162.05 41.46 Favored 'General case' 0 N--CA 1.499 2.02 0 O-C-N 120.568 -1.333 . . . . 0.0 110.737 -179.734 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 81.3 mt -116.24 137.26 52.29 Favored 'General case' 0 N--CA 1.498 1.931 0 N-CA-C 108.954 -0.758 . . . . 0.0 108.954 179.83 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 8.4 mtmp? -95.05 179.77 5.1 Favored 'General case' 0 N--CA 1.496 1.833 0 O-C-N 121.171 -0.956 . . . . 0.0 109.428 179.871 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 36.0 ttmt -60.06 -39.96 87.79 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.415 -0.803 . . . . 0.0 110.69 -179.273 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 30' ' ' SER . . . . . 0.434 ' OG ' ' OE1' ' B' ' 31' ' ' GLU . 96.6 p -59.87 -40.1 87.49 Favored 'General case' 0 N--CA 1.495 1.802 0 O-C-N 120.851 -1.156 . . . . 0.0 110.393 -178.597 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 31' ' ' GLU . . . . . 0.574 ' OE1' ' N ' ' B' ' 31' ' ' GLU . 7.7 mp0 -66.93 -37.08 83.66 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 120.759 -1.213 . . . . 0.0 109.804 179.904 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 36.9 tp -59.99 -47.7 84.73 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.298 -0.876 . . . . 0.0 111.122 -177.749 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 52.6 pttt -69.57 -34.82 74.71 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 120.577 -1.327 . . . . 0.0 110.397 -178.401 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 24.2 mm-40 -61.69 -40.43 94.97 Favored 'General case' 0 N--CA 1.497 1.898 0 O-C-N 120.805 -1.184 . . . . 0.0 110.364 179.777 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 9.6 tp -59.94 -46.09 90.51 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 120.976 -1.078 . . . . 0.0 109.411 -179.231 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 36' ' ' ILE . . . . . 0.419 HG21 HD12 ' B' ' 47' ' ' ILE . 87.4 mt -60.69 -40.07 83.62 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.757 0 O-C-N 121.288 -0.883 . . . . 0.0 111.892 -178.79 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 83.4 m-20 -67.53 -62.84 1.22 Allowed 'General case' 0 N--CA 1.497 1.923 0 N-CA-C 114.064 1.135 . . . . 0.0 114.064 -176.403 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 33.9 p-10 -81.51 -21.89 38.31 Favored 'General case' 0 N--CA 1.502 2.164 0 O-C-N 120.716 -1.24 . . . . 0.0 114.317 -175.79 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 63.9 mm-40 -92.03 -1.71 57.08 Favored 'General case' 0 N--CA 1.506 2.339 0 O-C-N 120.107 -1.621 . . . . 0.0 111.471 -177.909 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 40' ' ' LEU . . . . . 0.445 ' CD2' ' N ' ' B' ' 40' ' ' LEU . 1.2 mm? -99.8 120.41 39.7 Favored 'General case' 0 N--CA 1.501 2.104 0 O-C-N 120.974 -1.079 . . . . 0.0 108.654 179.048 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 17.7 p -77.21 -62.46 1.65 Allowed 'General case' 0 N--CA 1.486 1.361 0 O-C-N 121.438 -0.789 . . . . 0.0 110.297 -179.347 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 42' ' ' HIS . . . . . . . . . . . . . 65.9 m80 -142.15 -5.29 0.99 Allowed 'General case' 0 N--CA 1.497 1.914 0 O-C-N 121.085 -1.01 . . . . 0.0 110.52 -179.378 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 43.5 m-85 -60.0 -41.34 91.89 Favored 'General case' 0 N--CA 1.494 1.733 0 O-C-N 120.877 -1.139 . . . . 0.0 109.764 -179.576 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 25.3 mt -142.07 -86.06 0.17 Allowed 'General case' 0 N--CA 1.502 2.126 0 O-C-N 121.1 -1.0 . . . . 0.0 109.538 -179.389 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 2.1 tm-20 61.45 20.7 11.4 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.388 -0.82 . . . . 0.0 109.46 -179.769 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 12.7 tp10 -98.86 -138.78 0.31 Allowed 'General case' 0 N--CA 1.499 2.015 0 O-C-N 121.2 -0.937 . . . . 0.0 109.036 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 47' ' ' ILE . . . . . 0.419 HD12 HG21 ' B' ' 36' ' ' ILE . 64.4 mt 58.88 113.47 0.02 OUTLIER 'Isoleucine or valine' 0 N--CA 1.498 1.953 0 O-C-N 121.72 -0.613 . . . . 0.0 111.26 178.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 27.0 mttm -131.35 -34.32 1.41 Allowed 'General case' 0 N--CA 1.501 2.115 0 O-C-N 121.538 -0.726 . . . . 0.0 109.428 178.741 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 30.3 mp0 -86.71 145.37 26.7 Favored 'General case' 0 N--CA 1.498 1.951 0 O-C-N 121.063 -1.023 . . . . 0.0 110.146 -179.652 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 21.8 mp0 -68.92 -31.1 69.76 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.474 -0.766 . . . . 0.0 109.674 -179.883 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -60.01 -40.04 87.9 Favored 'General case' 0 N--CA 1.488 1.464 0 O-C-N 121.227 -0.921 . . . . 0.0 109.531 -178.954 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 54.1 t -60.91 -42.6 93.35 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.64 0 O-C-N 121.215 -0.928 . . . . 0.0 109.794 -179.913 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 54.2 t -66.71 -42.87 90.15 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.628 0 O-C-N 121.043 -1.035 . . . . 0.0 109.904 -179.488 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 58.8 t0 -60.13 -43.26 95.82 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.246 -0.909 . . . . 0.0 109.695 -179.133 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 17.7 tptm -69.22 -40.26 78.07 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.083 -1.011 . . . . 0.0 109.722 -179.266 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 54.4 t -70.05 -47.76 66.51 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.622 0 O-C-N 121.148 -0.97 . . . . 0.0 110.238 -179.831 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 57' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -60.07 -40.34 89.15 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.089 -1.007 . . . . 0.0 109.872 -179.293 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 86.3 tt0 -62.58 -40.2 96.13 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.215 -0.928 . . . . 0.0 109.927 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 94.3 m -69.95 -40.24 75.55 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.322 -0.861 . . . . 0.0 110.764 -179.124 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 60.7 tp -63.91 -40.04 95.57 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 121.051 -1.031 . . . . 0.0 110.101 -178.782 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 36.1 m-20 -73.2 99.4 2.83 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 120.971 -1.081 . . . . 0.0 109.618 -179.23 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 49.8 tp10 -63.42 -39.94 95.84 Favored 'General case' 0 C--N 1.304 -1.383 0 O-C-N 121.575 -0.703 . . . . 0.0 109.826 179.895 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 46.0 p-10 -86.74 -6.28 58.87 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.076 -1.015 . . . . 0.0 109.904 -179.322 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 55.8 43.53 87.02 Favored Glycine 0 N--CA 1.49 2.275 0 N-CA-C 109.983 -1.247 . . . . 0.0 109.983 179.483 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 65' ' ' ASP . . . . . 0.438 ' OD2' ' O ' ' B' ' 67' ' ' GLU . 50.4 p-10 -72.01 -9.98 59.13 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 120.972 -1.31 . . . . 0.0 109.271 -179.796 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 73.97 5.1 69.25 Favored Glycine 0 N--CA 1.492 2.408 0 N-CA-C 110.543 -1.023 . . . . 0.0 110.543 178.878 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 67' ' ' GLU . . . . . 0.438 ' O ' ' OD2' ' B' ' 65' ' ' ASP . 12.6 pt-20 -149.26 159.39 44.31 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 120.98 -1.306 . . . . 0.0 109.536 -179.785 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 68' ' ' CYS . . . . . . . . . . . . . 81.7 m -106.12 111.33 23.9 Favored 'General case' 0 N--CA 1.496 1.841 0 O-C-N 121.47 -0.769 . . . . 0.0 109.14 179.783 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 69' ' ' ASP . . . . . 0.491 ' OD1' ' N ' ' B' ' 70' ' ' PHE . 10.3 t70 -89.37 178.52 6.31 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.39 -0.819 . . . . 0.0 109.488 -179.838 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 70' ' ' PHE . . . . . 0.491 ' N ' ' OD1' ' B' ' 69' ' ' ASP . 71.7 t80 -60.06 -45.96 91.14 Favored 'General case' 0 C--N 1.303 -1.456 0 O-C-N 121.288 -0.882 . . . . 0.0 109.352 -179.495 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 61.0 tt0 -61.89 -40.04 94.04 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.015 -1.053 . . . . 0.0 108.633 179.038 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 73.7 mm-40 -59.99 -37.26 79.15 Favored 'General case' 0 N--CA 1.494 1.743 0 O-C-N 121.528 -0.732 . . . . 0.0 109.973 179.891 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 73' ' ' PHE . . . . . . . . . . . . . 64.0 t80 -59.9 -44.38 94.3 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.192 -0.943 . . . . 0.0 109.262 -179.091 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 74' ' ' MET . . . . . . . . . . . . . 11.7 tpt -60.0 -40.09 88.01 Favored 'General case' 0 C--N 1.302 -1.484 0 O-C-N 121.154 -0.966 . . . . 0.0 108.468 178.826 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -61.33 -36.5 80.32 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.561 -0.712 . . . . 0.0 110.43 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 28.1 t80 -59.91 -49.82 76.19 Favored 'General case' 0 N--CA 1.495 1.796 0 O-C-N 121.056 -1.027 . . . . 0.0 109.535 -178.666 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 77' ' ' VAL . . . . . . . . . . . . . 96.1 t -62.51 -40.15 87.1 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.508 0 O-C-N 121.245 -0.909 . . . . 0.0 110.126 -179.764 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 78' ' ' SER . . . . . . . . . . . . . 78.7 p -64.27 -39.99 95.06 Favored 'General case' 0 N--CA 1.494 1.767 0 O-C-N 121.295 -0.878 . . . . 0.0 110.903 -178.925 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 79' ' ' MET . . . . . . . . . . . . . 4.3 tpt -59.97 -43.92 94.78 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 120.981 -1.075 . . . . 0.0 109.471 -179.39 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 71.8 t -69.78 -39.98 78.53 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.499 0 O-C-N 121.28 -0.888 . . . . 0.0 109.645 -179.698 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 94.3 m -67.49 -40.41 85.24 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.146 -0.971 . . . . 0.0 110.215 -179.451 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 33.9 p -65.25 -39.9 93.27 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.024 -1.047 . . . . 0.0 109.244 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -62.17 -39.98 94.47 Favored 'General case' 0 N--CA 1.488 1.448 0 O-C-N 121.315 -0.866 . . . . 0.0 109.128 179.64 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 84' ' ' CYS . . . . . . . . . . . . . 19.5 t -76.75 130.69 38.06 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.349 -0.844 . . . . 0.0 109.411 179.84 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 85' ' ' HIS . . . . . 0.411 ' C ' ' N ' ' B' ' 87' ' ' PHE . 21.6 m170 -114.09 174.74 5.79 Favored 'General case' 0 N--CA 1.498 1.974 0 O-C-N 121.62 -0.675 . . . . 0.0 109.279 -179.744 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 86' ' ' GLU . . . . . 0.533 ' O ' ' N ' ' B' ' 88' ' ' PHE . 44.3 tp10 -50.02 -20.13 0.88 Allowed 'General case' 0 N--CA 1.492 1.658 0 N-CA-C 108.489 -0.93 . . . . 0.0 108.489 179.538 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 87' ' ' PHE . . . . . 0.479 ' O ' ' CD1' ' B' ' 87' ' ' PHE . 51.8 t80 -46.95 -12.24 0.02 OUTLIER 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.545 -0.722 . . . . 0.0 109.801 179.254 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 88' ' ' PHE . . . . . 0.533 ' N ' ' O ' ' B' ' 86' ' ' GLU . 62.8 t80 . . . . . 0 N--CA 1.489 1.516 0 O-C-N 121.159 -0.963 . . . . 0.0 110.445 -179.189 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 8.9 m . . . . . 0 N--CA 1.493 1.703 0 N-CA-C 109.42 -0.585 . . . . 0.0 109.42 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -59.99 -34.48 73.38 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.218 -0.926 . . . . 0.0 109.858 -179.518 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 7.4 tt -59.87 -44.53 94.12 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.176 -0.952 . . . . 0.0 109.622 -178.454 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 87.5 tt0 -61.16 -42.47 98.62 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.003 -1.061 . . . . 0.0 109.7 179.822 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 77.3 mttt -62.09 -40.0 94.38 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.184 -0.947 . . . . 0.0 109.861 -179.814 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -59.99 -40.0 87.63 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.277 -0.889 . . . . 0.0 109.724 -179.349 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 92.7 mtp -60.08 -40.34 89.2 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 120.986 -1.071 . . . . 0.0 109.201 179.757 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 55.3 t -69.96 -40.03 78.18 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.482 0 O-C-N 121.238 -0.913 . . . . 0.0 109.475 179.334 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -62.43 -40.31 96.15 Favored 'General case' 0 N--CA 1.494 1.773 0 O-C-N 121.215 -0.928 . . . . 0.0 110.672 -179.357 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 60.6 tp -60.09 -43.48 95.51 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.138 -0.976 . . . . 0.0 110.563 -179.261 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 88.2 mt -65.76 -40.08 86.7 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.658 0 O-C-N 121.051 -1.03 . . . . 0.0 110.773 -179.038 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 96.0 m-20 -62.64 -41.93 99.32 Favored 'General case' 0 N--CA 1.497 1.913 0 O-C-N 120.816 -1.178 . . . . 0.0 111.083 -179.08 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 54.5 t -63.4 -40.03 87.53 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.766 0 O-C-N 121.066 -1.021 . . . . 0.0 109.859 -179.506 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . 0.472 ' CZ ' HD13 ' A' ' 27' ' ' LEU . 62.0 t80 -60.03 -42.6 94.76 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.328 -0.858 . . . . 0.0 110.541 -178.79 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 51.7 t60 -64.57 -39.97 94.72 Favored 'General case' 0 N--CA 1.495 1.812 0 O-C-N 121.278 -0.889 . . . . 0.0 111.024 -178.868 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 66.2 mm-40 -59.98 -40.05 87.78 Favored 'General case' 0 N--CA 1.498 1.962 0 O-C-N 120.766 -1.209 . . . . 0.0 111.36 -178.669 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 7.3 m-85 -68.53 -35.76 77.89 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 120.792 -1.192 . . . . 0.0 109.857 -179.468 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 5.1 t -60.08 -38.77 83.87 Favored 'General case' 0 C--N 1.299 -1.626 0 O-C-N 121.034 -1.042 . . . . 0.0 110.097 -179.341 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -74.78 7.21 21.64 Favored Glycine 0 N--CA 1.493 2.484 0 C-N-CA 120.173 -1.013 . . . . 0.0 111.326 -178.87 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 8.6 mmm180 -59.96 -50.06 75.23 Favored 'General case' 0 N--CA 1.498 1.949 0 O-C-N 120.557 -1.555 . . . . 0.0 109.537 -179.889 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 74.7 mm-40 -103.28 9.41 38.07 Favored 'General case' 0 N--CA 1.496 1.831 0 O-C-N 121.264 -0.898 . . . . 0.0 109.283 -179.742 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 86.46 1.62 85.71 Favored Glycine 0 N--CA 1.491 2.303 0 N-CA-C 108.873 -1.691 . . . . 0.0 108.873 -179.601 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 89.4 m-20 -85.6 82.79 8.1 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.326 -1.102 . . . . 0.0 108.809 179.886 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 9.4 mtmp? -86.48 90.87 8.36 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.325 -0.859 . . . . 0.0 109.09 -179.89 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 3.2 t-160 -173.22 -60.74 0.02 OUTLIER 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.46 -0.775 . . . . 0.0 109.131 -179.897 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 48.1 pttt -148.69 160.13 43.46 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.498 -0.751 . . . . 0.0 109.324 -179.71 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.472 HD13 ' CZ ' ' A' ' 14' ' ' PHE . 8.2 mp -98.62 136.18 39.07 Favored 'General case' 0 N--CA 1.497 1.916 0 O-C-N 121.207 -0.933 . . . . 0.0 109.716 -179.148 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 16.6 pttp -94.86 169.14 10.35 Favored 'General case' 0 N--CA 1.495 1.799 0 O-C-N 121.492 -0.755 . . . . 0.0 109.278 179.549 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 23.5 pttm -60.09 -35.14 74.54 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.279 -0.888 . . . . 0.0 110.759 -178.804 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 18.7 t -60.05 -42.09 93.74 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 120.739 -1.226 . . . . 0.0 108.629 -179.628 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 -69.99 -32.52 70.76 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.237 -0.914 . . . . 0.0 109.149 178.523 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 12.2 tp -59.98 -39.96 87.48 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.326 -0.859 . . . . 0.0 109.329 -179.434 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 21.0 tptm -58.56 -46.0 87.8 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 120.927 -1.108 . . . . 0.0 109.381 179.88 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 53.6 tp10 -66.56 -44.19 82.98 Favored 'General case' 0 C--N 1.302 -1.458 0 O-C-N 121.039 -1.038 . . . . 0.0 109.761 179.882 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 4.8 tt -60.11 -50.03 75.32 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.305 -0.872 . . . . 0.0 111.043 -179.164 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 93.3 mt -60.69 -45.91 96.76 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.654 0 O-C-N 121.011 -1.056 . . . . 0.0 109.943 -179.266 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 21.1 t-20 -67.3 -44.2 79.82 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 120.99 -1.069 . . . . 0.0 110.048 -179.848 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -67.82 -39.99 83.88 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.409 -0.807 . . . . 0.0 110.977 -178.842 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 46.6 tp10 -80.11 -71.34 0.46 Allowed 'General case' 0 N--CA 1.494 1.731 0 O-C-N 120.975 -1.078 . . . . 0.0 110.626 -178.871 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 18.0 mt -100.86 127.16 47.43 Favored 'General case' 0 N--CA 1.496 1.864 0 O-C-N 121.416 -0.802 . . . . 0.0 109.839 -178.938 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.3 t -139.95 -46.76 0.44 Allowed 'General case' 0 N--CA 1.493 1.687 0 N-CA-C 108.285 -1.005 . . . . 0.0 108.285 178.835 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -60.84 -41.87 96.65 Favored 'General case' 0 N--CA 1.488 1.458 0 O-C-N 121.476 -0.765 . . . . 0.0 109.455 179.767 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 64.4 m-85 -70.0 -39.95 75.58 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 120.971 -1.081 . . . . 0.0 109.27 179.778 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 37.6 mt -128.95 125.77 38.19 Favored 'General case' 0 N--CA 1.5 2.066 0 O-C-N 121.551 -0.718 . . . . 0.0 109.11 179.815 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 15.6 pt-20 -146.92 15.06 1.19 Allowed 'General case' 0 N--CA 1.494 1.766 0 O-C-N 121.07 -1.019 . . . . 0.0 109.347 179.538 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 86.9 tt0 -87.42 -11.95 47.63 Favored 'General case' 0 N--CA 1.494 1.733 0 O-C-N 121.347 -0.845 . . . . 0.0 109.986 -179.59 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 88.4 mt -74.06 128.44 36.38 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.635 0 O-C-N 120.846 -1.159 . . . . 0.0 109.727 -179.772 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 86.2 tttt -150.16 -45.37 0.13 Allowed 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.318 -0.864 . . . . 0.0 109.455 179.528 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 42.2 mt-10 -85.37 147.72 26.37 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.303 -0.873 . . . . 0.0 110.084 -179.348 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . 0.691 ' H ' ' NE2' ' A' ' 50' ' ' GLN . 0.0 OUTLIER -69.64 -27.54 65.13 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.51 -0.744 . . . . 0.0 110.001 -179.797 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 36.7 tt0 -59.97 -40.08 87.85 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.25 -0.906 . . . . 0.0 109.942 -179.322 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 54.4 t -61.61 -43.2 96.65 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.67 0 O-C-N 121.161 -0.962 . . . . 0.0 109.899 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 53.2 t -60.14 -39.99 82.16 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.617 0 O-C-N 121.045 -1.034 . . . . 0.0 109.901 -179.424 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 8.2 t70 -60.0 -44.85 94.27 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.132 -0.98 . . . . 0.0 109.817 -179.501 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 36.5 ttpt -60.06 -47.94 83.77 Favored 'General case' 0 C--N 1.301 -1.54 0 O-C-N 121.179 -0.951 . . . . 0.0 109.571 179.686 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 53.4 t -69.94 -40.77 79.1 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.477 0 O-C-N 121.185 -0.947 . . . . 0.0 109.292 -179.833 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 15.9 tpt -60.2 -46.71 88.79 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.282 -0.886 . . . . 0.0 109.924 -179.632 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 43.2 tt0 -60.02 -40.11 88.18 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.251 -0.905 . . . . 0.0 109.915 -179.172 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 88.9 m -62.95 -40.32 97.33 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.293 -0.88 . . . . 0.0 109.717 -179.373 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 6.3 tp -81.43 -14.39 57.14 Favored 'General case' 0 N--CA 1.494 1.766 0 O-C-N 121.222 -0.924 . . . . 0.0 110.057 -179.635 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . 0.506 ' OD1' ' N ' ' A' ' 64' ' ' GLY . 58.0 t0 -79.01 97.45 6.09 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 120.886 -1.134 . . . . 0.0 109.726 -179.385 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 86.9 tt0 -82.3 -29.35 31.19 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.345 -0.847 . . . . 0.0 109.471 179.652 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 69.2 m-20 -87.6 -9.23 54.89 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.287 -0.883 . . . . 0.0 109.817 -179.243 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . 0.506 ' N ' ' OD1' ' A' ' 61' ' ' ASP . . . 61.69 16.2 50.31 Favored Glycine 0 N--CA 1.489 2.215 0 N-CA-C 109.337 -1.505 . . . . 0.0 109.337 -179.95 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 37.9 p-10 -90.44 -4.22 57.14 Favored 'General case' 0 N--CA 1.494 1.773 0 O-C-N 121.163 -1.198 . . . . 0.0 110.024 -179.79 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 69.94 30.78 69.92 Favored Glycine 0 N--CA 1.493 2.437 0 N-CA-C 110.358 -1.097 . . . . 0.0 110.358 179.081 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -134.94 147.75 49.87 Favored 'General case' 0 N--CA 1.5 2.048 0 O-C-N 121.28 -1.129 . . . . 0.0 109.324 -179.761 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 8.3 t -104.33 114.92 29.47 Favored 'General case' 0 N--CA 1.5 2.047 0 O-C-N 121.454 -0.779 . . . . 0.0 109.485 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 89.5 m-20 -89.13 167.28 13.25 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.469 -0.769 . . . . 0.0 109.542 179.78 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 55.9 t80 -60.01 -45.76 91.69 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.371 -0.83 . . . . 0.0 109.222 179.732 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 7.8 tt0 -60.12 -46.23 90.32 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.219 -0.926 . . . . 0.0 108.647 179.176 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -62.13 -39.68 93.39 Favored 'General case' 0 N--CA 1.489 1.523 0 CA-C-O 121.506 0.67 . . . . 0.0 109.496 -179.942 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 64.2 t80 -59.99 -40.73 90.15 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.412 -0.805 . . . . 0.0 109.745 -179.607 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 20.6 ttm -59.99 -38.3 82.17 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.158 -0.964 . . . . 0.0 109.657 179.329 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -58.87 -39.94 82.87 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.276 -0.89 . . . . 0.0 109.896 -178.909 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 67.6 t80 -59.97 -48.39 81.88 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 120.993 -1.067 . . . . 0.0 108.895 179.49 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 98.8 t -60.9 -38.64 79.69 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.539 0 O-C-N 121.686 -0.634 . . . . 0.0 109.594 179.47 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 23.3 t -58.79 -40.01 82.75 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.319 -0.863 . . . . 0.0 110.43 -178.812 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 52.1 mtt -60.01 -40.0 87.78 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 120.918 -1.114 . . . . 0.0 109.982 -179.543 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 94.6 t -68.48 -40.05 81.56 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.564 0 O-C-N 121.043 -1.036 . . . . 0.0 109.857 -179.753 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . 0.501 ' O ' ' SG ' ' A' ' 84' ' ' CYS . 66.9 p -68.0 -40.01 83.12 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.083 -1.011 . . . . 0.0 110.605 -179.438 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 28.4 p -60.07 -39.92 87.73 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 120.836 -1.165 . . . . 0.0 109.504 -179.774 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -61.2 -29.14 69.63 Favored 'General case' 0 C--N 1.302 -1.484 0 O-C-N 121.303 -0.873 . . . . 0.0 109.79 -179.866 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 84' ' ' CYS . . . . . 0.501 ' SG ' ' O ' ' A' ' 81' ' ' THR . 1.5 p -66.41 138.25 57.44 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.187 -0.946 . . . . 0.0 110.084 -179.271 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 85' ' ' HIS . . . . . 0.529 ' O ' ' ND1' ' A' ' 85' ' ' HIS . 42.1 t-80 -108.15 25.3 11.78 Favored 'General case' 0 N--CA 1.501 2.088 0 O-C-N 121.514 -0.742 . . . . 0.0 109.29 179.711 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . 0.456 ' CB ' ' O ' ' A' ' 85' ' ' HIS . 7.0 tm-20 77.16 -28.17 0.17 Allowed 'General case' 0 N--CA 1.498 1.929 0 O-C-N 121.494 -0.754 . . . . 0.0 109.299 -179.871 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 87' ' ' PHE . . . . . 0.52 ' O ' ' CD2' ' A' ' 87' ' ' PHE . 61.7 t80 -87.1 -8.89 56.58 Favored 'General case' 0 N--CA 1.489 1.511 0 N-CA-C 108.451 -0.944 . . . . 0.0 108.451 178.954 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 38.6 t80 . . . . . 0 N--CA 1.488 1.444 0 N-CA-C 108.78 -0.822 . . . . 0.0 108.78 -179.86 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 14.4 m . . . . . 0 N--CA 1.493 1.699 0 N-CA-C 109.416 -0.587 . . . . 0.0 109.416 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 95.0 mt-10 -59.97 -35.03 74.13 Favored 'General case' 0 N--CA 1.494 1.748 0 O-C-N 121.195 -0.941 . . . . 0.0 109.876 -179.914 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 7.6 tt -59.62 -44.48 93.44 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.279 -0.888 . . . . 0.0 109.641 -178.509 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 85.7 tt0 -61.02 -42.71 98.98 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.108 -0.995 . . . . 0.0 109.722 179.762 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 79.7 mttt -62.11 -40.03 94.51 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.262 -0.898 . . . . 0.0 109.813 -179.711 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -59.91 -40.05 87.5 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.3 -0.875 . . . . 0.0 109.889 -179.447 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 7' ' ' MET . . . . . . . . . . . . . 93.3 mtp -60.04 -40.77 90.54 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 120.998 -1.064 . . . . 0.0 109.096 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 54.4 t -69.6 -40.08 79.08 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.509 0 O-C-N 121.239 -0.913 . . . . 0.0 109.388 179.616 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -62.52 -40.45 96.79 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.274 -0.891 . . . . 0.0 110.79 -179.293 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 60.5 tp -60.04 -42.86 95.34 Favored 'General case' 0 N--CA 1.494 1.771 0 O-C-N 121.097 -1.002 . . . . 0.0 110.47 -179.366 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 96.6 mt -66.1 -40.28 86.73 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.725 0 O-C-N 121.076 -1.015 . . . . 0.0 110.836 -178.931 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 96.3 m-20 -62.64 -41.99 99.34 Favored 'General case' 0 N--CA 1.496 1.826 0 O-C-N 121.006 -1.059 . . . . 0.0 110.961 -179.237 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 54.5 t -63.37 -40.01 87.42 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.749 0 O-C-N 121.095 -1.003 . . . . 0.0 110.053 -179.616 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 14' ' ' PHE . . . . . 0.485 ' CZ ' HD13 ' B' ' 27' ' ' LEU . 62.3 t80 -60.02 -41.9 93.18 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.278 -0.889 . . . . 0.0 110.583 -179.058 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 48.3 t60 -65.09 -39.93 93.88 Favored 'General case' 0 N--CA 1.496 1.85 0 O-C-N 121.188 -0.945 . . . . 0.0 111.16 -178.946 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 67.9 mm-40 -60.03 -40.09 88.16 Favored 'General case' 0 N--CA 1.499 2.023 0 O-C-N 120.906 -1.121 . . . . 0.0 111.274 -178.538 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 7.9 m-85 -68.45 -35.94 78.31 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 120.844 -1.16 . . . . 0.0 109.982 -179.44 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 5.1 t -60.03 -38.16 81.92 Favored 'General case' 0 C--N 1.299 -1.602 0 O-C-N 121.052 -1.03 . . . . 0.0 110.022 -179.324 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -75.02 6.78 25.64 Favored Glycine 0 N--CA 1.494 2.566 0 C-N-CA 120.249 -0.977 . . . . 0.0 111.279 -178.852 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 8.9 mmm180 -60.02 -50.06 75.21 Favored 'General case' 0 N--CA 1.498 1.959 0 O-C-N 120.542 -1.563 . . . . 0.0 109.65 -179.835 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 75.0 mm-40 -103.19 9.41 38.26 Favored 'General case' 0 N--CA 1.497 1.881 0 O-C-N 121.372 -0.83 . . . . 0.0 109.322 -179.849 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . 86.76 0.83 85.72 Favored Glycine 0 N--CA 1.491 2.306 0 N-CA-C 108.872 -1.691 . . . . 0.0 108.872 -179.449 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 91.9 m-20 -84.62 82.46 8.41 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.435 -1.038 . . . . 0.0 108.894 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 9.6 mtmp? -86.65 91.0 8.45 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.224 -0.922 . . . . 0.0 109.148 -179.857 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 25' ' ' HIS . . . . . . . . . . . . . 3.2 t-160 -173.31 -60.46 0.02 OUTLIER 'General case' 0 N--CA 1.488 1.47 0 O-C-N 121.397 -0.815 . . . . 0.0 109.093 -179.939 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 45.1 pttt -148.82 160.09 43.55 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.45 -0.781 . . . . 0.0 109.248 -179.636 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 27' ' ' LEU . . . . . 0.485 HD13 ' CZ ' ' B' ' 14' ' ' PHE . 8.4 mp -98.67 135.72 39.77 Favored 'General case' 0 N--CA 1.499 2.013 0 O-C-N 121.266 -0.896 . . . . 0.0 109.637 -179.143 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 16.4 pttp -94.49 169.4 10.23 Favored 'General case' 0 N--CA 1.496 1.852 0 O-C-N 121.374 -0.829 . . . . 0.0 109.325 179.548 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 24.0 pttm -60.03 -35.4 75.01 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.327 -0.858 . . . . 0.0 110.809 -178.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 16.0 t -59.95 -41.97 93.03 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 120.772 -1.205 . . . . 0.0 108.737 -179.624 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -69.9 -32.6 71.01 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.182 -0.949 . . . . 0.0 109.184 178.421 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 14.1 tp -59.94 -40.04 87.59 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.355 -0.841 . . . . 0.0 109.312 -179.388 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 21.3 tptm -58.59 -46.39 87.07 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 120.909 -1.12 . . . . 0.0 109.278 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 53.2 tp10 -66.09 -44.42 84.47 Favored 'General case' 0 C--N 1.3 -1.561 0 O-C-N 121.04 -1.038 . . . . 0.0 109.754 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 5.3 tt -59.97 -49.97 75.6 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.302 -0.874 . . . . 0.0 111.142 -179.015 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 95.6 mt -61.17 -45.2 99.04 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.654 0 O-C-N 120.943 -1.098 . . . . 0.0 109.785 -179.222 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 21.0 t-20 -67.83 -43.66 79.06 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.066 -1.022 . . . . 0.0 109.978 -179.882 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 1.1 t30 -68.36 -40.03 81.61 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.481 -0.762 . . . . 0.0 110.968 -178.799 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 47.1 tp10 -80.0 -71.24 0.46 Allowed 'General case' 0 N--CA 1.493 1.675 0 O-C-N 120.933 -1.104 . . . . 0.0 110.597 -178.808 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 19.5 mt -100.95 126.95 47.63 Favored 'General case' 0 N--CA 1.495 1.801 0 O-C-N 121.423 -0.798 . . . . 0.0 109.96 -178.938 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 1.3 t -139.95 -46.64 0.44 Allowed 'General case' 0 N--CA 1.494 1.734 0 N-CA-C 108.445 -0.946 . . . . 0.0 108.445 178.802 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 42' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -61.04 -41.83 97.32 Favored 'General case' 0 N--CA 1.487 1.422 0 O-C-N 121.553 -0.717 . . . . 0.0 109.528 179.732 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 65.1 m-85 -69.95 -40.03 75.69 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 120.992 -1.068 . . . . 0.0 109.261 179.652 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 50.4 mt -128.53 125.95 39.4 Favored 'General case' 0 N--CA 1.499 1.991 0 N-CA-C 109.117 -0.697 . . . . 0.0 109.117 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 15.2 pt-20 -147.49 15.35 1.12 Allowed 'General case' 0 N--CA 1.494 1.757 0 O-C-N 121.067 -1.021 . . . . 0.0 109.297 179.581 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 86.8 tt0 -87.7 -12.19 46.08 Favored 'General case' 0 N--CA 1.494 1.745 0 O-C-N 121.375 -0.828 . . . . 0.0 110.052 -179.625 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 91.9 mt -73.86 128.33 36.21 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.651 0 O-C-N 120.936 -1.103 . . . . 0.0 109.649 -179.722 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 86.3 tttt -149.55 -45.76 0.14 Allowed 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.296 -0.877 . . . . 0.0 109.457 179.419 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 41.8 mt-10 -85.28 148.12 26.21 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.188 -0.945 . . . . 0.0 110.214 -179.271 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 50' ' ' GLN . . . . . 0.686 ' NE2' ' H ' ' B' ' 50' ' ' GLN . 0.0 OUTLIER -69.69 -27.58 65.12 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.628 -0.67 . . . . 0.0 109.947 -179.781 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 37.8 tt0 -60.09 -40.01 88.12 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.347 -0.846 . . . . 0.0 109.896 -179.151 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 54.1 t -61.91 -43.06 96.94 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.552 0 O-C-N 121.126 -0.984 . . . . 0.0 109.836 -179.815 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 53.7 t -60.02 -40.0 81.92 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.624 0 O-C-N 121.142 -0.974 . . . . 0.0 109.832 -179.486 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 8.9 t70 -59.98 -45.15 93.62 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.111 -0.993 . . . . 0.0 109.98 -179.538 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 36.5 ttpt -60.1 -47.77 84.49 Favored 'General case' 0 C--N 1.302 -1.484 0 O-C-N 121.166 -0.959 . . . . 0.0 109.541 179.772 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 53.0 t -69.82 -41.03 79.66 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.492 0 O-C-N 121.252 -0.905 . . . . 0.0 109.357 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 57' ' ' MET . . . . . . . . . . . . . 15.9 tpt -60.35 -46.41 90.04 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.284 -0.885 . . . . 0.0 109.896 -179.635 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 42.2 tt0 -60.05 -40.08 88.2 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.292 -0.88 . . . . 0.0 109.982 -179.264 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 92.1 m -63.26 -40.12 96.51 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.229 -0.92 . . . . 0.0 109.828 -179.283 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 5.9 tp -81.31 -14.67 57.08 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.277 -0.89 . . . . 0.0 110.005 -179.691 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 61' ' ' ASP . . . . . 0.513 ' OD1' ' N ' ' B' ' 64' ' ' GLY . 60.6 t0 -79.14 98.01 6.4 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 120.794 -1.191 . . . . 0.0 109.66 -179.45 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 86.8 tt0 -83.07 -28.67 29.39 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.41 -0.806 . . . . 0.0 109.419 179.803 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 69.5 m-20 -88.12 -8.9 54.76 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.255 -0.903 . . . . 0.0 109.73 -179.405 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 64' ' ' GLY . . . . . 0.513 ' N ' ' OD1' ' B' ' 61' ' ' ASP . . . 61.33 16.46 49.49 Favored Glycine 0 N--CA 1.489 2.217 0 N-CA-C 109.364 -1.494 . . . . 0.0 109.364 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 37.8 p-10 -90.56 -3.99 57.19 Favored 'General case' 0 N--CA 1.494 1.753 0 O-C-N 121.261 -1.14 . . . . 0.0 109.891 -179.785 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 69.99 30.34 70.12 Favored Glycine 0 N--CA 1.493 2.481 0 C-N-CA 119.978 -1.106 . . . . 0.0 110.395 179.079 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 98.1 mt-10 -134.78 148.1 50.14 Favored 'General case' 0 N--CA 1.498 1.929 0 O-C-N 121.167 -1.196 . . . . 0.0 109.469 -179.786 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 68' ' ' CYS . . . . . . . . . . . . . 8.0 t -104.47 114.74 29.17 Favored 'General case' 0 N--CA 1.499 2.0 0 O-C-N 121.383 -0.823 . . . . 0.0 109.57 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 89.6 m-20 -89.15 167.63 12.96 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.339 -0.851 . . . . 0.0 109.516 179.873 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 58.1 t80 -59.99 -46.03 90.8 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.196 -0.94 . . . . 0.0 109.186 179.637 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 8.0 tt0 -60.12 -46.03 91.0 Favored 'General case' 0 N--CA 1.49 1.559 0 N-CA-C 108.497 -0.927 . . . . 0.0 108.497 179.375 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 99.2 mt-10 -62.55 -39.39 93.46 Favored 'General case' 0 C--N 1.303 -1.429 0 CA-C-O 121.431 0.634 . . . . 0.0 109.557 -179.898 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 73' ' ' PHE . . . . . . . . . . . . . 58.6 t80 -60.03 -40.81 90.64 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.425 -0.797 . . . . 0.0 109.736 -179.541 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 74' ' ' MET . . . . . . . . . . . . . 21.6 ttm -60.07 -38.19 82.13 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.259 -0.901 . . . . 0.0 109.702 179.474 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -58.83 -40.04 83.02 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.262 -0.899 . . . . 0.0 109.879 -179.063 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 66.2 t80 -60.02 -48.12 83.03 Favored 'General case' 0 C--N 1.302 -1.46 0 O-C-N 120.935 -1.103 . . . . 0.0 108.841 179.563 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 77' ' ' VAL . . . . . . . . . . . . . 84.2 t -61.01 -38.68 80.04 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.528 0 O-C-N 121.711 -0.618 . . . . 0.0 109.568 179.344 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 78' ' ' SER . . . . . . . . . . . . . 18.5 t -58.65 -39.94 82.04 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.203 -0.936 . . . . 0.0 110.4 -178.832 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 79' ' ' MET . . . . . . . . . . . . . 53.6 mtt -60.14 -39.91 87.97 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 120.951 -1.093 . . . . 0.0 110.017 -179.542 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 97.1 t -68.49 -40.05 81.55 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.517 0 O-C-N 120.924 -1.11 . . . . 0.0 109.881 -179.813 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 81' ' ' THR . . . . . 0.514 ' O ' ' SG ' ' B' ' 84' ' ' CYS . 61.5 p -68.22 -39.94 82.23 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 121.174 -0.954 . . . . 0.0 110.6 -179.352 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 30.0 p -60.1 -39.54 86.51 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 120.73 -1.231 . . . . 0.0 109.408 -179.769 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -61.43 -29.04 69.69 Favored 'General case' 0 C--N 1.299 -1.593 0 O-C-N 121.487 -0.758 . . . . 0.0 109.818 -179.839 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 84' ' ' CYS . . . . . 0.514 ' SG ' ' O ' ' B' ' 81' ' ' THR . 1.8 p -66.67 138.89 57.75 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.119 -0.988 . . . . 0.0 110.127 -179.308 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 85' ' ' HIS . . . . . 0.516 ' O ' ' ND1' ' B' ' 85' ' ' HIS . 39.8 t-80 -108.27 25.22 11.9 Favored 'General case' 0 N--CA 1.499 1.998 0 O-C-N 121.588 -0.695 . . . . 0.0 109.236 179.663 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 86' ' ' GLU . . . . . 0.459 ' CB ' ' O ' ' B' ' 85' ' ' HIS . 7.0 tm-20 76.98 -27.91 0.18 Allowed 'General case' 0 N--CA 1.496 1.852 0 O-C-N 121.494 -0.754 . . . . 0.0 109.276 -179.646 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 87' ' ' PHE . . . . . 0.511 ' O ' ' CD2' ' B' ' 87' ' ' PHE . 61.2 t80 -87.4 -8.97 55.96 Favored 'General case' 0 N--CA 1.49 1.569 0 N-CA-C 108.409 -0.959 . . . . 0.0 108.409 179.098 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 38.7 t80 . . . . . 0 N--CA 1.487 1.42 0 N-CA-C 109.036 -0.728 . . . . 0.0 109.036 -179.869 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.491 1.586 0 N-CA-C 109.397 -0.594 . . . . 0.0 109.397 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 29.2 t -69.95 132.33 45.79 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.035 -1.04 . . . . 0.0 109.759 179.742 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 13.6 tm-20 -60.03 -36.15 76.65 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.604 -0.685 . . . . 0.0 109.932 -179.72 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.501 ' CD2' ' N ' ' A' ' 3' ' ' LEU . 3.2 mm? -59.11 -39.07 81.12 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.319 -0.863 . . . . 0.0 109.799 -179.02 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 70.8 mm-40 -60.0 -40.41 89.13 Favored 'General case' 0 C--N 1.301 -1.543 0 O-C-N 120.799 -1.188 . . . . 0.0 109.359 -179.739 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 38.6 ttpt -69.97 -40.03 75.62 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 120.987 -1.07 . . . . 0.0 109.984 179.37 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -69.59 -40.49 76.67 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.3 -0.875 . . . . 0.0 110.097 -179.14 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 6.7 mmt -61.47 -40.44 94.55 Favored 'General case' 0 N--CA 1.486 1.363 0 O-C-N 121.044 -1.035 . . . . 0.0 108.766 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 79.3 t -69.92 -41.98 79.64 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.442 0 O-C-N 121.423 -0.798 . . . . 0.0 109.536 179.44 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -66.42 -42.42 87.79 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.309 -0.869 . . . . 0.0 110.33 -179.333 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 63.4 tp -60.0 -50.04 75.31 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.043 -1.036 . . . . 0.0 109.256 -179.935 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 93.4 mt -70.3 -40.84 78.35 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.593 0 O-C-N 121.268 -0.895 . . . . 0.0 110.551 179.865 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 62.2 t0 -60.05 -47.57 85.32 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.347 -0.845 . . . . 0.0 110.73 -178.584 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 54.3 t -60.2 -42.52 90.57 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.523 0 O-C-N 121.091 -1.006 . . . . 0.0 110.049 -178.812 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 64.9 t80 -59.95 -44.86 94.14 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.141 -0.974 . . . . 0.0 110.665 -179.545 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 11.0 t-80 -63.85 -52.12 61.54 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.022 -1.049 . . . . 0.0 110.544 -178.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 28.5 mt-30 -69.96 -40.05 75.64 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.379 -0.825 . . . . 0.0 111.301 -178.859 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 24.0 t80 -69.92 -43.44 71.65 Favored 'General case' 0 N--CA 1.495 1.793 0 O-C-N 121.007 -1.058 . . . . 0.0 110.586 -178.468 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 54.3 p -75.02 -19.92 59.84 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.274 -0.891 . . . . 0.0 110.235 -179.415 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -77.29 -2.3 78.56 Favored Glycine 0 N--CA 1.493 2.468 0 C-N-CA 120.111 -1.043 . . . . 0.0 110.841 -178.752 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.543 ' NH2' ' OE1' ' A' ' 34' ' ' GLU . 38.9 ttp180 -60.01 -41.75 92.83 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 120.825 -1.397 . . . . 0.0 109.636 -179.673 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.452 ' OE1' ' N ' ' A' ' 21' ' ' GLU . 3.1 mp0 -100.97 164.98 11.56 Favored 'General case' 0 N--CA 1.495 1.803 0 O-C-N 121.31 -0.869 . . . . 0.0 109.497 -179.499 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -55.76 -16.6 12.32 Favored Glycine 0 N--CA 1.491 2.312 0 N-CA-C 109.628 -1.389 . . . . 0.0 109.628 179.895 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 74.1 m-20 -85.15 104.54 15.13 Favored 'General case' 0 N--CA 1.494 1.757 0 O-C-N 121.184 -1.186 . . . . 0.0 108.716 179.822 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 8.9 ptpp? -107.81 -16.78 14.24 Favored 'General case' 0 N--CA 1.497 1.91 0 O-C-N 121.48 -0.762 . . . . 0.0 110.369 -179.574 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 2.4 t60 -99.96 -7.15 25.5 Favored 'General case' 0 N--CA 1.499 1.979 0 O-C-N 121.148 -0.97 . . . . 0.0 111.436 -178.481 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 40.8 pttt -149.35 160.0 43.79 Favored 'General case' 0 N--CA 1.5 2.034 0 O-C-N 120.654 -1.279 . . . . 0.0 110.55 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 1.5 tp -106.06 135.38 47.63 Favored 'General case' 0 N--CA 1.499 1.996 0 N-CA-C 108.996 -0.742 . . . . 0.0 108.996 -179.477 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 37.4 mmtm -94.84 166.42 11.99 Favored 'General case' 0 N--CA 1.499 2.0 0 O-C-N 121.229 -0.919 . . . . 0.0 110.8 -179.324 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 34.6 mttp -60.99 -41.16 95.95 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.805 -0.56 . . . . 0.0 110.922 -178.671 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 71.7 p -67.17 -40.44 86.6 Favored 'General case' 0 N--CA 1.495 1.799 0 O-C-N 121.052 -1.03 . . . . 0.0 110.462 -178.43 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 39.6 tt0 -61.76 -36.54 81.34 Favored 'General case' 0 C--N 1.3 -1.565 0 O-C-N 121.107 -0.996 . . . . 0.0 109.455 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 56.2 tp -59.92 -43.62 94.81 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.231 -0.918 . . . . 0.0 109.809 -179.343 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 24.4 ttpp -60.18 -41.89 93.85 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 120.926 -1.109 . . . . 0.0 109.276 179.597 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . 0.543 ' OE1' ' NH2' ' A' ' 20' ' ' ARG . 98.8 mt-10 -62.25 -40.09 95.02 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.38 -0.825 . . . . 0.0 110.402 -179.722 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 42.1 tp -59.92 -48.71 80.58 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.172 -0.955 . . . . 0.0 109.179 -178.521 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 88.4 mt -65.38 -39.98 86.95 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.554 0 O-C-N 121.196 -0.94 . . . . 0.0 109.386 179.714 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -69.27 -23.21 63.81 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.439 -0.788 . . . . 0.0 110.758 -179.324 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 1.1 t30 -48.93 -75.76 0.03 OUTLIER 'General case' 0 N--CA 1.494 1.765 0 O-C-N 120.888 -1.133 . . . . 0.0 110.006 -178.937 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 25.0 tp10 -163.04 19.7 0.08 Allowed 'General case' 0 N--CA 1.493 1.686 0 O-C-N 120.877 -1.139 . . . . 0.0 109.367 179.821 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 85.0 mt -91.91 8.12 38.91 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.116 -0.99 . . . . 0.0 108.832 -179.729 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . 0.412 ' O ' ' O ' ' A' ' 44' ' ' LEU . 83.8 p -60.31 -13.64 13.98 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.615 -0.678 . . . . 0.0 110.036 -179.642 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 38.4 t-80 -59.95 -47.7 84.73 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.031 -1.043 . . . . 0.0 109.641 -179.67 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 85.7 m-85 -70.04 -39.97 75.43 Favored 'General case' 0 N--CA 1.488 1.457 0 O-C-N 121.22 -0.925 . . . . 0.0 109.583 179.899 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.412 ' O ' ' O ' ' A' ' 41' ' ' SER . 66.6 mt -123.78 130.08 52.07 Favored 'General case' 0 N--CA 1.502 2.16 0 O-C-N 121.564 -0.71 . . . . 0.0 109.557 -179.471 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 57.0 tt0 -130.36 26.8 5.09 Favored 'General case' 0 N--CA 1.503 2.181 0 O-C-N 121.139 -0.975 . . . . 0.0 109.049 179.599 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 6.2 tp10 -101.69 12.91 36.33 Favored 'General case' 0 N--CA 1.501 2.084 0 O-C-N 121.3 -0.875 . . . . 0.0 110.649 -179.043 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 40.3 mm -73.75 127.8 35.83 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.797 0 O-C-N 120.621 -1.299 . . . . 0.0 109.66 -179.416 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -159.0 -61.07 0.07 Allowed 'General case' 0 N--CA 1.496 1.869 0 N-CA-C 108.764 -0.828 . . . . 0.0 108.764 179.504 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -100.71 153.87 19.08 Favored 'General case' 0 N--CA 1.495 1.78 0 O-C-N 121.324 -0.86 . . . . 0.0 108.741 179.303 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 59.4 mt-30 -60.07 -28.05 67.48 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.317 -0.865 . . . . 0.0 110.504 -179.559 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 1.6 pp20? -59.99 -33.08 71.47 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.017 -1.052 . . . . 0.0 110.156 -179.024 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 54.4 t -59.98 -46.76 93.71 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.651 0 O-C-N 121.023 -1.048 . . . . 0.0 109.172 -179.762 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 54.6 t -60.12 -45.53 95.65 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.497 0 O-C-N 121.274 -0.891 . . . . 0.0 109.066 179.764 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 63.0 t0 -61.38 -46.72 89.0 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.39 -0.819 . . . . 0.0 109.974 -179.714 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 34.9 tttm -60.14 -43.21 95.89 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.129 -0.982 . . . . 0.0 108.895 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 52.1 t -69.6 -39.98 78.97 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.568 0 O-C-N 121.659 -0.651 . . . . 0.0 110.115 179.765 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . 0.461 ' O ' HD23 ' A' ' 60' ' ' LEU . 27.3 ttt -59.96 -40.08 87.84 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.249 -0.907 . . . . 0.0 109.888 -178.601 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 86.1 tt0 -63.03 -35.07 79.01 Favored 'General case' 0 C--N 1.298 -1.636 0 O-C-N 121.024 -1.047 . . . . 0.0 109.851 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 59.9 m -60.03 -45.23 93.48 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.318 -0.864 . . . . 0.0 111.376 -177.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.461 HD23 ' O ' ' A' ' 57' ' ' MET . 0.3 OUTLIER -81.71 -8.52 59.71 Favored 'General case' 0 N--CA 1.502 2.166 0 O-C-N 120.583 -1.323 . . . . 0.0 110.266 -179.212 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . 0.417 ' N ' HD23 ' A' ' 60' ' ' LEU . 79.8 m-20 -76.42 118.17 18.83 Favored 'General case' 0 N--CA 1.495 1.792 0 O-C-N 120.978 -1.076 . . . . 0.0 109.626 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 67.2 mm-40 -94.92 -42.79 8.49 Favored 'General case' 0 N--CA 1.496 1.87 0 O-C-N 121.263 -0.898 . . . . 0.0 109.945 -179.812 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 43.4 p-10 -101.88 0.97 36.39 Favored 'General case' 0 N--CA 1.497 1.908 0 O-C-N 121.339 -0.85 . . . . 0.0 110.062 -179.441 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 49.71 51.48 28.25 Favored Glycine 0 N--CA 1.492 2.393 0 N-CA-C 109.337 -1.505 . . . . 0.0 109.337 179.829 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 38.5 p-10 -84.76 -6.98 59.37 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.242 -1.152 . . . . 0.0 110.219 -179.335 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 88.9 -7.27 82.52 Favored Glycine 0 N--CA 1.494 2.564 0 N-CA-C 109.845 -1.302 . . . . 0.0 109.845 179.618 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 21.4 pt-20 -139.77 159.09 42.96 Favored 'General case' 0 N--CA 1.495 1.79 0 O-C-N 121.148 -1.207 . . . . 0.0 108.775 -179.847 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -112.69 112.99 24.89 Favored 'General case' 0 N--CA 1.499 1.995 0 O-C-N 121.421 -0.799 . . . . 0.0 109.722 -179.298 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 90.1 m-20 -90.54 -177.36 5.02 Favored 'General case' 0 N--CA 1.495 1.782 0 O-C-N 121.513 -0.742 . . . . 0.0 109.436 179.548 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 66.9 t80 -59.99 -40.28 88.66 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.41 -0.806 . . . . 0.0 110.712 -179.642 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 1.5 tm0? -59.96 -43.84 94.8 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.005 -1.059 . . . . 0.0 109.793 -179.716 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 69.6 mt-10 -64.86 -35.31 80.71 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.088 -1.007 . . . . 0.0 110.104 -179.813 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 50.2 t80 -58.48 -40.01 81.56 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.171 -0.956 . . . . 0.0 109.261 -179.685 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 91.2 mmm -59.98 -38.31 82.17 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.11 -0.994 . . . . 0.0 109.125 179.306 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -58.34 -40.1 81.24 Favored 'General case' 0 N--CA 1.488 1.453 0 O-C-N 121.293 -0.879 . . . . 0.0 109.576 -179.322 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 70.8 t80 -60.04 -40.01 87.9 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.045 -1.035 . . . . 0.0 109.971 179.514 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 61.1 t -59.99 -42.44 89.58 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.506 0 O-C-N 121.121 -0.987 . . . . 0.0 108.845 -179.892 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 81.1 p -61.14 -39.28 89.45 Favored 'General case' 0 N--CA 1.488 1.439 0 O-C-N 121.36 -0.838 . . . . 0.0 108.936 179.036 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 49.3 ttm -60.03 -40.24 88.67 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.65 -0.656 . . . . 0.0 110.498 -179.429 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 64.6 t -67.41 -41.27 86.03 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.666 0 O-C-N 120.936 -1.103 . . . . 0.0 110.278 -179.21 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 81.8 p -69.14 -41.71 76.96 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.061 -1.024 . . . . 0.0 110.772 -178.734 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 82.6 p -71.22 -40.06 71.33 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.087 -1.008 . . . . 0.0 109.74 -179.899 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -69.94 -40.04 75.71 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.327 -0.858 . . . . 0.0 110.68 -179.653 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 15.5 p -67.71 146.61 53.62 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.153 -0.967 . . . . 0.0 110.317 -178.872 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 76.6 m80 -82.22 162.58 22.31 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.469 -0.769 . . . . 0.0 109.824 179.703 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . 0.533 ' C ' ' H ' ' A' ' 88' ' ' PHE . 99.2 mt-10 -89.43 -0.08 57.23 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.38 -0.825 . . . . 0.0 109.229 179.746 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 34.4 t80 -67.47 17.44 0.03 OUTLIER 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.318 -0.864 . . . . 0.0 110.052 -179.492 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . 0.533 ' H ' ' C ' ' A' ' 86' ' ' GLU . 7.6 m-85 -73.32 -4.87 35.98 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.067 -1.021 . . . . 0.0 109.006 179.49 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . 0.474 ' O ' ' O ' ' A' ' 88' ' ' PHE . 3.4 pt-20 -48.73 -99.15 0.0 OUTLIER 'General case' 0 N--CA 1.495 1.824 0 O-C-N 121.4 -0.813 . . . . 0.0 109.312 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 64.0 t60 -78.22 153.74 31.67 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 120.835 -1.166 . . . . 0.0 108.912 179.774 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 19.7 pt-20 . . . . . 0 N--CA 1.491 1.607 0 O-C-N 121.05 -1.031 . . . . 0.0 109.562 -179.733 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 0' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.49 1.552 0 N-CA-C 109.266 -0.642 . . . . 0.0 109.266 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 31.2 t -70.12 132.36 45.71 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.139 -0.975 . . . . 0.0 109.596 179.887 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 13.6 tm-20 -60.0 -36.45 77.23 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.517 -0.739 . . . . 0.0 109.867 -179.735 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 3' ' ' LEU . . . . . 0.484 ' CD2' ' N ' ' B' ' 3' ' ' LEU . 3.3 mm? -58.71 -39.25 80.28 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.455 -0.778 . . . . 0.0 109.915 -178.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 70.3 mm-40 -59.99 -40.57 89.62 Favored 'General case' 0 C--N 1.3 -1.549 0 O-C-N 120.755 -1.216 . . . . 0.0 109.346 -179.867 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 38.8 ttpt -69.98 -39.97 75.62 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 120.875 -1.141 . . . . 0.0 109.903 179.501 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -69.63 -40.14 76.74 Favored 'General case' 0 N--CA 1.494 1.736 0 O-C-N 121.193 -0.942 . . . . 0.0 110.13 -179.241 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 7' ' ' MET . . . . . . . . . . . . . 6.8 mmt -61.87 -40.22 94.62 Favored 'General case' 0 C--N 1.303 -1.418 0 O-C-N 121.126 -0.983 . . . . 0.0 108.749 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 53.1 t -70.14 -42.05 79.09 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.392 0 O-C-N 121.537 -0.727 . . . . 0.0 109.489 179.419 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -66.69 -42.27 86.76 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.205 -0.934 . . . . 0.0 110.256 -179.34 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 61.9 tp -59.98 -50.07 75.21 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.047 -1.033 . . . . 0.0 109.268 -179.926 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 93.2 mt -70.01 -41.09 79.23 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.681 0 O-C-N 121.299 -0.876 . . . . 0.0 110.549 179.683 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 62.1 t0 -59.99 -47.35 86.19 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.181 -0.95 . . . . 0.0 110.835 -178.641 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 58.7 t -60.31 -42.51 90.92 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.526 0 O-C-N 121.179 -0.951 . . . . 0.0 110.055 -178.861 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 14' ' ' PHE . . . . . . . . . . . . . 63.9 t80 -60.07 -44.56 94.66 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.03 -1.044 . . . . 0.0 110.591 -179.536 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 11.0 t-80 -64.04 -52.21 60.49 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.07 -1.019 . . . . 0.0 110.475 -178.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 28.5 mt-30 -69.98 -39.95 75.65 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.275 -0.891 . . . . 0.0 111.292 -178.829 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 24.3 t80 -69.59 -43.68 72.31 Favored 'General case' 0 N--CA 1.495 1.78 0 O-C-N 121.04 -1.038 . . . . 0.0 110.572 -178.594 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 53.6 p -74.97 -20.0 59.85 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.213 -0.929 . . . . 0.0 110.292 -179.174 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -77.51 -2.07 78.74 Favored Glycine 0 N--CA 1.49 2.265 0 C-N-CA 120.086 -1.054 . . . . 0.0 110.937 -178.867 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 20' ' ' ARG . . . . . 0.539 ' NH2' ' OE1' ' B' ' 34' ' ' GLU . 38.9 ttp180 -60.05 -41.8 93.11 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 120.735 -1.45 . . . . 0.0 109.627 -179.826 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 21' ' ' GLU . . . . . 0.429 ' OE1' ' N ' ' B' ' 21' ' ' GLU . 3.2 mp0 -100.42 165.64 11.35 Favored 'General case' 0 N--CA 1.496 1.862 0 O-C-N 121.327 -0.858 . . . . 0.0 109.486 -179.489 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . -56.34 -16.76 16.0 Favored Glycine 0 N--CA 1.489 2.2 0 N-CA-C 109.556 -1.418 . . . . 0.0 109.556 179.755 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 74.6 m-20 -85.12 104.97 15.49 Favored 'General case' 0 N--CA 1.494 1.756 0 O-C-N 121.076 -1.249 . . . . 0.0 108.77 179.772 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 8.8 ptpp? -108.37 -16.36 14.25 Favored 'General case' 0 N--CA 1.498 1.926 0 O-C-N 121.611 -0.681 . . . . 0.0 110.237 -179.616 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 25' ' ' HIS . . . . . . . . . . . . . 2.5 t60 -99.93 -7.43 25.22 Favored 'General case' 0 N--CA 1.501 2.098 0 O-C-N 121.218 -0.926 . . . . 0.0 111.45 -178.617 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 40.8 pttt -149.33 160.02 43.77 Favored 'General case' 0 N--CA 1.499 1.983 0 O-C-N 120.533 -1.354 . . . . 0.0 110.526 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 1.3 tp -106.36 135.39 47.93 Favored 'General case' 0 N--CA 1.497 1.908 0 N-CA-C 108.818 -0.808 . . . . 0.0 108.818 -179.29 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 37.5 mmtm -94.64 167.17 11.63 Favored 'General case' 0 N--CA 1.499 2.012 0 O-C-N 121.212 -0.93 . . . . 0.0 110.798 -179.179 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 35.7 mttp -61.52 -41.22 97.0 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.86 -0.525 . . . . 0.0 110.93 -178.655 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 63.2 p -67.23 -40.49 86.36 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 121.145 -0.972 . . . . 0.0 110.49 -178.476 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 41.3 tt0 -61.91 -36.47 81.41 Favored 'General case' 0 C--N 1.302 -1.459 0 O-C-N 121.092 -1.005 . . . . 0.0 109.368 -179.868 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 57.8 tp -60.01 -43.28 95.32 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.179 -0.951 . . . . 0.0 109.871 -179.432 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 24.4 ttpp -59.96 -42.14 93.42 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 120.965 -1.084 . . . . 0.0 109.224 179.528 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 34' ' ' GLU . . . . . 0.539 ' OE1' ' NH2' ' B' ' 20' ' ' ARG . 97.6 mt-10 -62.22 -39.99 94.64 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.454 -0.779 . . . . 0.0 110.624 -179.704 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 36.1 tp -60.05 -48.84 80.06 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.152 -0.967 . . . . 0.0 109.135 -178.8 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 91.5 mt -65.03 -39.9 87.22 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.549 0 O-C-N 121.169 -0.957 . . . . 0.0 109.443 179.864 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -69.73 -22.89 63.34 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.409 -0.807 . . . . 0.0 110.774 -179.293 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 1.1 t30 -49.07 -75.6 0.03 OUTLIER 'General case' 0 N--CA 1.493 1.714 0 O-C-N 120.81 -1.181 . . . . 0.0 109.887 -179.048 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 24.7 tp10 -163.38 19.95 0.08 Allowed 'General case' 0 N--CA 1.493 1.702 0 O-C-N 120.989 -1.069 . . . . 0.0 109.365 179.845 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 87.5 mt -91.87 7.98 39.45 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.016 -1.052 . . . . 0.0 108.808 -179.895 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 41' ' ' SER . . . . . 0.429 ' O ' ' O ' ' B' ' 44' ' ' LEU . 81.8 p -60.15 -13.6 12.95 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.644 -0.66 . . . . 0.0 109.998 -179.498 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 42' ' ' HIS . . . . . . . . . . . . . 38.0 t-80 -60.0 -47.57 85.28 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.083 -1.01 . . . . 0.0 109.652 -179.693 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 86.1 m-85 -70.07 -39.93 75.34 Favored 'General case' 0 C--N 1.302 -1.464 0 O-C-N 121.285 -0.885 . . . . 0.0 109.573 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 44' ' ' LEU . . . . . 0.429 ' O ' ' O ' ' B' ' 41' ' ' SER . 53.2 mt -124.16 130.36 52.4 Favored 'General case' 0 N--CA 1.502 2.13 0 O-C-N 121.55 -0.719 . . . . 0.0 109.488 -179.748 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 56.7 tt0 -129.98 26.34 5.22 Favored 'General case' 0 N--CA 1.502 2.141 0 O-C-N 121.233 -0.917 . . . . 0.0 108.941 179.674 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 6.4 tp10 -101.46 13.04 36.21 Favored 'General case' 0 N--CA 1.5 2.068 0 O-C-N 121.245 -0.909 . . . . 0.0 110.778 -178.916 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 40.3 mm -73.88 127.96 36.01 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.815 0 O-C-N 120.628 -1.295 . . . . 0.0 109.652 -179.288 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -159.01 -60.66 0.07 Allowed 'General case' 0 N--CA 1.496 1.832 0 O-C-N 121.346 -0.846 . . . . 0.0 108.95 179.418 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -101.3 154.36 18.85 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.162 -0.961 . . . . 0.0 108.477 179.471 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 58.7 mt-30 -60.16 -28.67 68.11 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.163 -0.96 . . . . 0.0 110.479 -179.491 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 1.6 pp20? -59.33 -33.3 70.97 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.117 -0.989 . . . . 0.0 110.263 -179.142 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 54.5 t -60.0 -46.9 93.58 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.615 0 O-C-N 120.918 -1.113 . . . . 0.0 109.106 -179.652 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 53.9 t -60.19 -45.02 96.56 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.445 0 O-C-N 121.246 -0.909 . . . . 0.0 109.311 179.827 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 62.8 t0 -61.6 -46.69 88.76 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.276 -0.89 . . . . 0.0 109.965 -179.731 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 32.0 tttm -60.19 -43.0 96.26 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.207 -0.933 . . . . 0.0 108.928 179.821 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 54.6 t -69.74 -39.89 78.51 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.59 0 O-C-N 121.656 -0.652 . . . . 0.0 109.911 179.788 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 57' ' ' MET . . . . . 0.459 ' O ' HD23 ' B' ' 60' ' ' LEU . 27.2 ttt -60.1 -39.99 88.07 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.161 -0.962 . . . . 0.0 110.102 -178.54 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 87.3 tt0 -63.36 -34.84 78.59 Favored 'General case' 0 C--N 1.296 -1.726 0 O-C-N 121.183 -0.948 . . . . 0.0 109.725 -179.931 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 62.5 m -60.0 -45.31 93.17 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.177 -0.952 . . . . 0.0 111.291 -178.138 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 60' ' ' LEU . . . . . 0.459 HD23 ' O ' ' B' ' 57' ' ' MET . 0.3 OUTLIER -81.59 -8.8 59.76 Favored 'General case' 0 N--CA 1.501 2.084 0 O-C-N 120.466 -1.396 . . . . 0.0 110.339 -179.167 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 61' ' ' ASP . . . . . 0.406 ' N ' HD23 ' B' ' 60' ' ' LEU . 79.1 m-20 -76.38 118.43 19.06 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 120.856 -1.153 . . . . 0.0 109.574 -179.915 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 67.4 mm-40 -95.09 -42.24 8.7 Favored 'General case' 0 N--CA 1.495 1.778 0 O-C-N 121.293 -0.879 . . . . 0.0 110.016 -179.688 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 43.6 p-10 -102.43 1.55 35.44 Favored 'General case' 0 N--CA 1.496 1.859 0 O-C-N 121.342 -0.849 . . . . 0.0 110.171 -179.658 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 48.86 52.39 21.33 Favored Glycine 0 N--CA 1.492 2.384 0 N-CA-C 109.463 -1.455 . . . . 0.0 109.463 179.867 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 38.0 p-10 -85.46 -6.77 59.17 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.273 -1.134 . . . . 0.0 110.149 -179.236 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 88.92 -7.67 81.56 Favored Glycine 0 N--CA 1.494 2.548 0 N-CA-C 109.72 -1.352 . . . . 0.0 109.72 179.696 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 21.5 pt-20 -139.61 159.58 41.84 Favored 'General case' 0 N--CA 1.495 1.819 0 O-C-N 121.227 -1.161 . . . . 0.0 109.004 -179.871 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 68' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -113.12 112.78 24.4 Favored 'General case' 0 N--CA 1.5 2.036 0 O-C-N 121.498 -0.751 . . . . 0.0 109.799 -179.273 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 90.1 m-20 -90.03 -177.48 5.19 Favored 'General case' 0 N--CA 1.494 1.725 0 O-C-N 121.529 -0.732 . . . . 0.0 109.505 179.489 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 69.7 t80 -59.98 -40.34 88.8 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.397 -0.814 . . . . 0.0 110.58 -179.653 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 1.5 tm0? -60.04 -43.4 95.36 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 120.956 -1.09 . . . . 0.0 109.787 -179.635 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 71.8 mt-10 -65.45 -35.12 79.96 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.103 -0.998 . . . . 0.0 109.991 -179.632 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 73' ' ' PHE . . . . . . . . . . . . . 49.3 t80 -58.54 -40.01 81.78 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.062 -1.024 . . . . 0.0 109.257 -179.869 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 74' ' ' MET . . . . . . . . . . . . . 92.2 mmm -60.06 -37.91 81.27 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.154 -0.966 . . . . 0.0 108.941 179.225 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -58.51 -39.99 81.64 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.27 -0.894 . . . . 0.0 109.66 -179.513 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 69.9 t80 -60.04 -40.09 88.17 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.014 -1.054 . . . . 0.0 109.962 179.421 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 77' ' ' VAL . . . . . . . . . . . . . 57.8 t -60.02 -42.1 88.54 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.461 0 O-C-N 121.229 -0.919 . . . . 0.0 108.971 -179.667 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 78' ' ' SER . . . . . . . . . . . . . 80.6 p -61.81 -39.0 90.22 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.398 -0.814 . . . . 0.0 108.945 179.048 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 79' ' ' MET . . . . . . . . . . . . . 50.5 ttm -59.96 -40.19 88.19 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.612 -0.68 . . . . 0.0 110.393 -179.647 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 58.6 t -67.37 -41.95 86.9 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.696 0 O-C-N 121.066 -1.021 . . . . 0.0 110.324 -179.006 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 82.3 p -68.68 -42.16 78.23 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.131 -0.981 . . . . 0.0 110.63 -178.724 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 82.6 p -71.07 -40.02 71.84 Favored 'General case' 0 N--CA 1.489 1.475 0 O-C-N 121.077 -1.014 . . . . 0.0 109.814 -179.614 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -69.93 -39.99 75.8 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.38 -0.825 . . . . 0.0 110.481 -179.66 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 84' ' ' CYS . . . . . . . . . . . . . 14.9 p -67.76 146.34 53.84 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.046 -1.033 . . . . 0.0 110.489 -178.92 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 85' ' ' HIS . . . . . . . . . . . . . 76.2 m80 -81.95 162.27 22.76 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.508 -0.745 . . . . 0.0 109.91 179.855 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 86' ' ' GLU . . . . . 0.531 ' C ' ' H ' ' B' ' 88' ' ' PHE . 98.7 mt-10 -89.23 -0.24 57.3 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 121.321 -0.862 . . . . 0.0 109.248 179.689 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 87' ' ' PHE . . . . . . . . . . . . . 34.5 t80 -67.19 16.94 0.03 OUTLIER 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.303 -0.873 . . . . 0.0 110.09 -179.499 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 88' ' ' PHE . . . . . 0.531 ' H ' ' C ' ' B' ' 86' ' ' GLU . 7.3 m-85 -72.97 -4.89 35.03 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.026 -1.046 . . . . 0.0 108.994 179.664 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 89' ' ' GLU . . . . . 0.491 ' O ' ' O ' ' B' ' 88' ' ' PHE . 3.0 pt-20 -49.05 -100.17 0.0 OUTLIER 'General case' 0 N--CA 1.494 1.749 0 O-C-N 121.338 -0.851 . . . . 0.0 109.16 -179.873 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 90' ' ' HIS . . . . . . . . . . . . . 58.4 t60 -76.37 153.07 36.08 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 120.799 -1.188 . . . . 0.0 109.235 179.473 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 19.6 pt-20 . . . . . 0 N--CA 1.491 1.576 0 O-C-N 121.047 -1.033 . . . . 0.0 109.584 179.936 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 92' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 93' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 68.0 mtm . . . . . 0 N--CA 1.49 1.565 0 N-CA-C 109.199 -0.667 . . . . 0.0 109.199 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 34.0 t -104.92 19.87 19.79 Favored 'General case' 0 N--CA 1.498 1.962 0 O-C-N 121.404 -0.81 . . . . 0.0 109.437 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -60.07 -40.04 88.11 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.276 -0.89 . . . . 0.0 110.183 -179.891 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.494 HD11 HG11 ' B' ' 13' ' ' VAL . 27.7 mt -61.16 -42.29 98.3 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.021 -1.049 . . . . 0.0 109.318 179.826 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -60.08 -46.33 89.92 Favored 'General case' 0 C--N 1.303 -1.441 0 O-C-N 121.328 -0.857 . . . . 0.0 109.414 -179.432 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 64.2 tttm -64.03 -40.06 95.48 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.236 -0.915 . . . . 0.0 109.37 179.7 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -60.07 -40.99 91.44 Favored 'General case' 0 N--CA 1.488 1.459 0 O-C-N 121.233 -0.917 . . . . 0.0 110.064 -179.459 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 98.8 mtp -61.09 -40.54 94.09 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.021 -1.049 . . . . 0.0 109.022 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 53.2 t -62.66 -40.02 86.88 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.68 0 O-C-N 121.53 -0.731 . . . . 0.0 110.41 179.838 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.408 ' O ' HG23 ' A' ' 13' ' ' VAL . . . -60.0 -45.84 91.43 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.058 -1.026 . . . . 0.0 110.88 -178.347 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.408 ' CD2' ' N ' ' A' ' 10' ' ' LEU . 2.8 mm? -60.03 -44.16 94.81 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 120.682 -1.261 . . . . 0.0 109.599 -179.571 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 96.6 mt -69.94 -43.67 79.25 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.55 0 O-C-N 121.077 -1.014 . . . . 0.0 110.433 -179.503 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 95.6 m-20 -69.99 -39.94 75.6 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.041 -1.037 . . . . 0.0 110.425 -179.819 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.483 HG11 HD11 ' B' ' 3' ' ' LEU . 53.2 t -65.49 -40.34 87.89 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.411 0 O-C-N 121.001 -1.062 . . . . 0.0 109.953 -179.066 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 67.5 t80 -60.06 -48.46 81.61 Favored 'General case' 0 N--CA 1.495 1.81 0 O-C-N 120.854 -1.154 . . . . 0.0 110.625 -179.564 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 5.5 m80 -69.85 -33.1 71.83 Favored 'General case' 0 N--CA 1.497 1.888 0 O-C-N 120.9 -1.125 . . . . 0.0 109.974 -179.769 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 32.0 tt0 -59.92 -49.97 75.58 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 120.976 -1.077 . . . . 0.0 110.261 -178.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 36.0 m-85 -72.48 -41.47 65.97 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.146 -0.971 . . . . 0.0 110.272 -179.836 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 25.8 p -62.82 -40.2 96.66 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.073 -1.017 . . . . 0.0 110.424 -178.857 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -79.02 -3.69 88.33 Favored Glycine 0 N--CA 1.489 2.19 0 N-CA-C 109.404 -1.478 . . . . 0.0 109.404 -179.366 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.565 ' CG ' HH11 ' A' ' 20' ' ' ARG . 0.6 OUTLIER -60.07 -40.23 88.78 Favored 'General case' 0 C--N 1.303 -1.423 0 O-C-N 121.403 -1.057 . . . . 0.0 109.4 -179.839 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.426 ' O ' ' O ' ' A' ' 22' ' ' GLY . 49.1 tp10 -147.56 87.57 1.65 Allowed 'General case' 0 N--CA 1.495 1.804 0 O-C-N 121.133 -0.98 . . . . 0.0 109.409 179.505 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . 0.426 ' O ' ' O ' ' A' ' 21' ' ' GLU . . . 44.71 -168.17 0.02 OUTLIER Glycine 0 N--CA 1.493 2.48 0 N-CA-C 109.916 -1.274 . . . . 0.0 109.916 179.665 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . 0.485 ' O ' ' O ' ' A' ' 26' ' ' LYS . 79.6 m-20 50.0 42.22 24.3 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.099 -1.236 . . . . 0.0 108.815 179.859 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 22.5 pttp -65.23 -32.88 74.78 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.164 -0.96 . . . . 0.0 110.376 -179.183 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 16.3 t60 -90.3 -6.33 55.25 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.013 -1.054 . . . . 0.0 110.744 -179.168 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.485 ' O ' ' O ' ' A' ' 23' ' ' ASP . 42.6 mttm -142.52 159.03 43.03 Favored 'General case' 0 N--CA 1.503 2.205 0 O-C-N 120.783 -1.198 . . . . 0.0 109.74 -179.526 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 83.5 mt -114.21 133.5 55.57 Favored 'General case' 0 N--CA 1.502 2.148 0 N-CA-C 108.013 -1.106 . . . . 0.0 108.013 178.525 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.476 ' HG2' ' H ' ' A' ' 29' ' ' LYS . 1.4 ttmp? -92.27 179.53 5.53 Favored 'General case' 0 N--CA 1.498 1.96 0 O-C-N 121.227 -0.92 . . . . 0.0 109.77 -178.94 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.476 ' H ' ' HG2' ' A' ' 28' ' ' LYS . 0.3 OUTLIER -59.95 -45.32 93.01 Favored 'General case' 0 N--CA 1.494 1.751 0 O-C-N 121.394 -0.817 . . . . 0.0 110.507 -178.696 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 56.0 m -60.05 -41.42 92.28 Favored 'General case' 0 N--CA 1.495 1.795 0 O-C-N 120.753 -1.217 . . . . 0.0 110.716 -178.943 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -69.94 -39.33 76.14 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.153 -0.967 . . . . 0.0 110.182 -179.579 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 53.3 tp -60.06 -49.93 75.7 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.078 -1.014 . . . . 0.0 109.862 -179.228 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 64.6 tttm -63.67 -41.23 98.21 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 120.933 -1.105 . . . . 0.0 110.308 -179.806 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 61.9 tt0 -60.81 -40.12 91.48 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.157 -0.965 . . . . 0.0 110.343 -179.051 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.529 HD13 ' O ' ' A' ' 35' ' ' LEU . 0.2 OUTLIER -59.94 -44.52 94.33 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.277 -0.89 . . . . 0.0 109.588 -178.887 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.461 ' O ' ' O ' ' A' ' 40' ' ' LEU . 3.1 mp -75.68 -31.33 22.74 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.916 0 O-C-N 120.731 -1.231 . . . . 0.0 109.858 179.409 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 20.5 t-20 -58.16 -72.3 0.09 Allowed 'General case' 0 N--CA 1.494 1.764 0 O-C-N 120.814 -1.179 . . . . 0.0 112.393 -177.768 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 4.0 p-10 -81.07 -19.76 43.02 Favored 'General case' 0 N--CA 1.498 1.948 0 O-C-N 121.315 -0.866 . . . . 0.0 113.054 -177.064 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 1.5 tm-20 -89.91 -77.36 0.4 Allowed 'General case' 0 N--CA 1.502 2.175 0 O-C-N 120.47 -1.393 . . . . 0.0 110.613 -178.022 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.461 ' O ' ' O ' ' A' ' 36' ' ' ILE . 0.7 OUTLIER -90.4 111.75 23.1 Favored 'General case' 0 N--CA 1.497 1.877 0 O-C-N 120.899 -1.126 . . . . 0.0 108.805 -179.517 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 80.8 p -145.24 18.02 1.55 Allowed 'General case' 0 N--CA 1.495 1.78 0 O-C-N 121.049 -1.032 . . . . 0.0 110.032 -179.668 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 41.8 t-80 -126.87 -19.48 4.45 Favored 'General case' 0 N--CA 1.501 2.11 0 O-C-N 121.435 -0.791 . . . . 0.0 110.652 -179.137 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 57.3 m-85 -78.5 -62.36 1.71 Allowed 'General case' 0 N--CA 1.495 1.779 0 O-C-N 120.834 -1.166 . . . . 0.0 110.903 -178.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -89.99 -75.34 0.46 Allowed 'General case' 0 N--CA 1.501 2.085 0 O-C-N 121.118 -0.989 . . . . 0.0 110.223 -178.843 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 52.4 tt0 64.94 20.83 12.21 Favored 'General case' 0 N--CA 1.494 1.747 0 O-C-N 121.56 -0.713 . . . . 0.0 109.209 -179.068 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 15.3 pt-20 -94.4 0.01 55.14 Favored 'General case' 0 N--CA 1.496 1.861 0 O-C-N 121.247 -0.908 . . . . 0.0 110.12 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 85.8 mt -79.47 114.21 19.94 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.763 0 O-C-N 120.939 -1.101 . . . . 0.0 109.486 -179.464 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 4.7 mmmm -106.33 -51.02 3.03 Favored 'General case' 0 N--CA 1.499 1.978 0 O-C-N 121.575 -0.703 . . . . 0.0 110.615 -179.679 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 80.4 mm-40 -111.03 156.86 20.66 Favored 'General case' 0 N--CA 1.501 2.098 0 O-C-N 121.354 -0.842 . . . . 0.0 110.582 -178.693 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 51.9 tt0 -59.97 -37.02 78.4 Favored 'General case' 0 N--CA 1.493 1.684 0 CA-C-O 121.438 0.637 . . . . 0.0 109.295 179.154 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 77.0 mm-40 -53.08 -33.75 53.5 Favored 'General case' 0 C--N 1.301 -1.543 0 O-C-N 121.456 -0.777 . . . . 0.0 109.491 -179.281 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 79.2 t -60.06 -40.02 82.03 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.518 0 O-C-N 121.103 -0.998 . . . . 0.0 109.527 -179.886 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 54.5 t -60.16 -42.21 89.37 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.66 0 O-C-N 121.063 -1.023 . . . . 0.0 109.445 179.417 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 50.1 t0 -60.12 -46.96 87.86 Favored 'General case' 0 N--CA 1.494 1.769 0 O-C-N 121.144 -0.972 . . . . 0.0 109.725 -179.748 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 2.5 ttmp? -59.97 -41.17 91.4 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.277 -0.889 . . . . 0.0 109.174 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 65.4 t -66.53 -40.37 86.22 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.475 0 O-C-N 121.304 -0.872 . . . . 0.0 109.125 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 8.9 ttt -60.31 -41.9 94.43 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.328 -0.858 . . . . 0.0 110.214 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -63.91 -39.91 95.27 Favored 'General case' 0 C--N 1.302 -1.46 0 O-C-N 121.339 -0.85 . . . . 0.0 109.719 -179.316 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 86.1 m -67.12 -46.66 73.5 Favored 'General case' 0 N--CA 1.488 1.428 0 N-CA-C 108.556 -0.905 . . . . 0.0 108.556 179.209 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 42.9 tp -61.03 -50.09 74.76 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.162 -0.961 . . . . 0.0 110.023 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . 0.446 ' OD1' ' N ' ' A' ' 64' ' ' GLY . 12.5 t70 -81.87 69.18 8.5 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.023 -1.048 . . . . 0.0 110.574 -179.181 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 7.1 tm-20 -70.16 -32.23 70.1 Favored 'General case' 0 N--CA 1.49 1.568 0 N-CA-C 108.434 -0.95 . . . . 0.0 108.434 178.57 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 5.0 p-10 -60.05 -37.5 80.01 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.826 -0.546 . . . . 0.0 110.315 -179.434 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . 0.446 ' N ' ' OD1' ' A' ' 61' ' ' ASP . . . 99.11 30.37 6.71 Favored Glycine 0 N--CA 1.502 3.06 0 N-CA-C 110.466 -1.053 . . . . 0.0 110.466 179.533 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . 0.451 ' O ' ' OD1' ' A' ' 65' ' ' ASP . 65.7 t0 -86.61 -19.41 29.38 Favored 'General case' 0 N--CA 1.496 1.834 0 O-C-N 120.897 -1.355 . . . . 0.0 108.951 179.277 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 71.36 -0.93 30.22 Favored Glycine 0 N--CA 1.492 2.377 0 N-CA-C 109.25 -1.54 . . . . 0.0 109.25 179.894 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 49.0 mt-10 -135.82 156.05 49.39 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 121.493 -1.004 . . . . 0.0 108.597 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 44.6 m -89.74 116.25 27.71 Favored 'General case' 0 N--CA 1.494 1.736 0 O-C-N 120.934 -1.104 . . . . 0.0 109.387 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . 0.536 ' OD1' ' N ' ' A' ' 70' ' ' PHE . 18.9 t0 -88.85 171.09 10.18 Favored 'General case' 0 N--CA 1.491 1.581 0 N-CA-C 108.722 -0.844 . . . . 0.0 108.722 179.869 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' PHE . . . . . 0.536 ' N ' ' OD1' ' A' ' 69' ' ' ASP . 41.6 t80 -60.1 -42.35 94.49 Favored 'General case' 0 C--N 1.3 -1.55 0 O-C-N 121.075 -1.016 . . . . 0.0 108.648 -179.86 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 88.7 mt-30 -60.99 -41.43 96.48 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.381 -0.825 . . . . 0.0 109.706 179.767 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 36.8 mt-10 -64.22 -38.84 92.48 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.31 -0.869 . . . . 0.0 109.287 -179.878 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 53.9 t80 -60.06 -43.98 95.03 Favored 'General case' 0 C--N 1.3 -1.578 0 O-C-N 121.506 -0.746 . . . . 0.0 109.279 -179.697 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 95.9 mmm -67.84 -39.98 83.76 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.256 -0.902 . . . . 0.0 109.886 179.901 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -59.88 -44.61 94.11 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.137 -0.977 . . . . 0.0 109.591 -179.073 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 58.6 t80 -59.87 -49.37 77.95 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.147 -0.971 . . . . 0.0 109.262 179.569 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 66.4 t -61.27 -44.43 98.39 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.476 0 O-C-N 121.245 -0.909 . . . . 0.0 109.195 -179.818 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 25.8 t -60.49 -43.42 97.01 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.299 -0.876 . . . . 0.0 109.684 -179.763 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 63.0 ttp -60.24 -40.04 88.85 Favored 'General case' 0 C--N 1.303 -1.436 0 O-C-N 121.151 -0.968 . . . . 0.0 109.917 -179.439 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 57.9 t -69.12 -44.26 81.07 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.562 0 O-C-N 121.138 -0.976 . . . . 0.0 109.872 -179.66 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . 0.493 ' O ' ' SG ' ' A' ' 84' ' ' CYS . 27.9 m -61.32 -40.78 95.48 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.104 -0.997 . . . . 0.0 109.691 -179.608 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 35.5 p -68.3 -39.01 82.2 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.102 -0.999 . . . . 0.0 109.279 179.773 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -73.41 -22.96 60.1 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.461 -0.774 . . . . 0.0 110.716 -179.402 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' CYS . . . . . 0.539 ' SG ' ' O ' ' A' ' 84' ' ' CYS . 14.8 p -43.96 116.14 0.94 Allowed 'General case' 0 N--CA 1.496 1.868 0 O-C-N 121.127 -0.983 . . . . 0.0 110.598 -178.774 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 71.8 t60 -98.22 -42.19 7.54 Favored 'General case' 0 N--CA 1.497 1.89 0 O-C-N 120.996 -1.065 . . . . 0.0 109.374 179.73 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . 0.662 ' CD ' ' H ' ' A' ' 86' ' ' GLU . 0.8 OUTLIER -71.04 140.52 50.77 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 121.425 -0.797 . . . . 0.0 110.126 -179.67 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 96.5 m-85 -113.12 141.1 47.3 Favored 'General case' 0 N--CA 1.5 2.035 0 O-C-N 121.532 -0.73 . . . . 0.0 110.1 -179.445 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 63.8 m-85 -95.2 117.81 30.89 Favored 'General case' 0 N--CA 1.498 1.942 0 O-C-N 121.179 -0.951 . . . . 0.0 109.031 179.112 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 67.0 tt0 -128.49 22.26 6.0 Favored 'General case' 0 N--CA 1.503 2.178 0 O-C-N 121.448 -0.782 . . . . 0.0 109.43 -179.869 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 79.0 m-70 -60.0 -37.08 78.65 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 120.482 -1.386 . . . . 0.0 108.556 179.772 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 87.8 tt0 . . . . . 0 N--CA 1.49 1.542 0 CA-C-O 117.901 -1.047 . . . . 0.0 109.251 179.739 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 0' ' ' MET . . . . . . . . . . . . . 69.1 mtm . . . . . 0 N--CA 1.489 1.52 0 N-CA-C 109.559 -0.534 . . . . 0.0 109.559 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 30.2 t -105.44 19.85 19.88 Favored 'General case' 0 N--CA 1.497 1.904 0 O-C-N 121.476 -0.765 . . . . 0.0 109.393 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -59.94 -40.21 88.2 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.147 -0.971 . . . . 0.0 110.036 -179.8 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 3' ' ' LEU . . . . . 0.483 HD11 HG11 ' A' ' 13' ' ' VAL . 35.9 mt -60.65 -42.72 97.55 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 120.971 -1.081 . . . . 0.0 109.352 179.739 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 88.7 tt0 -60.02 -45.81 91.57 Favored 'General case' 0 C--N 1.303 -1.449 0 O-C-N 121.357 -0.84 . . . . 0.0 109.376 -179.43 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 63.6 tttm -64.49 -40.04 94.92 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.25 -0.906 . . . . 0.0 109.247 179.702 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -60.03 -41.4 92.15 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.432 -0.793 . . . . 0.0 109.999 -179.295 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 7' ' ' MET . . . . . . . . . . . . . 97.8 mtp -61.15 -40.47 93.96 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 120.941 -1.099 . . . . 0.0 109.006 179.829 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 47.0 t -62.76 -40.01 87.01 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.71 0 O-C-N 121.572 -0.705 . . . . 0.0 110.355 179.923 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 9' ' ' ALA . . . . . 0.43 ' O ' HG23 ' B' ' 13' ' ' VAL . . . -60.05 -45.38 93.04 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 121.009 -1.057 . . . . 0.0 110.773 -178.198 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 10' ' ' LEU . . . . . 0.4 ' N ' ' CD2' ' B' ' 10' ' ' LEU . 2.9 mm? -59.99 -44.4 94.53 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 120.883 -1.136 . . . . 0.0 109.8 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 96.6 mt -69.96 -43.58 79.28 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.581 0 O-C-N 121.103 -0.998 . . . . 0.0 110.343 -179.519 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 95.9 m-20 -70.04 -39.95 75.44 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.079 -1.013 . . . . 0.0 110.432 -179.73 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 13' ' ' VAL . . . . . 0.494 HG11 HD11 ' A' ' 3' ' ' LEU . 54.3 t -65.47 -40.58 88.69 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.523 0 O-C-N 121.106 -0.996 . . . . 0.0 109.998 -179.032 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 14' ' ' PHE . . . . . . . . . . . . . 68.1 t80 -59.94 -48.53 81.33 Favored 'General case' 0 N--CA 1.495 1.807 0 O-C-N 120.95 -1.094 . . . . 0.0 110.602 -179.361 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 5.7 m80 -69.87 -32.94 71.57 Favored 'General case' 0 N--CA 1.496 1.872 0 O-C-N 120.959 -1.088 . . . . 0.0 110.063 -179.898 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 32.4 tt0 -59.98 -49.65 76.82 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.034 -1.041 . . . . 0.0 110.215 -178.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 36.7 m-85 -73.05 -41.34 64.27 Favored 'General case' 0 N--CA 1.494 1.748 0 O-C-N 121.191 -0.943 . . . . 0.0 110.274 -179.782 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 26.6 p -62.22 -40.67 96.91 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.216 -0.927 . . . . 0.0 110.176 -179.119 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -78.53 -4.14 87.16 Favored Glycine 0 N--CA 1.49 2.289 0 N-CA-C 109.473 -1.451 . . . . 0.0 109.473 -179.342 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 20' ' ' ARG . . . . . 0.534 ' CG ' HH11 ' B' ' 20' ' ' ARG . 0.9 OUTLIER -60.03 -40.26 88.73 Favored 'General case' 0 C--N 1.302 -1.478 0 O-C-N 121.347 -1.09 . . . . 0.0 109.496 -179.808 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 21' ' ' GLU . . . . . 0.422 ' O ' ' O ' ' B' ' 22' ' ' GLY . 49.2 tp10 -147.87 87.32 1.61 Allowed 'General case' 0 N--CA 1.495 1.803 0 O-C-N 121.151 -0.968 . . . . 0.0 109.459 179.703 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 22' ' ' GLY . . . . . 0.422 ' O ' ' O ' ' B' ' 21' ' ' GLU . . . 45.31 -168.49 0.03 OUTLIER Glycine 0 N--CA 1.492 2.429 0 N-CA-C 109.863 -1.295 . . . . 0.0 109.863 179.588 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 23' ' ' ASP . . . . . 0.484 ' O ' ' O ' ' B' ' 26' ' ' LYS . 80.3 m-20 50.17 42.43 25.25 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.095 -1.238 . . . . 0.0 108.866 179.812 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 22.3 pttp -65.2 -33.17 75.36 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.081 -1.012 . . . . 0.0 110.382 -179.202 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 25' ' ' HIS . . . . . . . . . . . . . 16.7 t60 -90.23 -5.96 55.77 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.153 -0.967 . . . . 0.0 110.81 -179.122 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 26' ' ' LYS . . . . . 0.484 ' O ' ' O ' ' B' ' 23' ' ' ASP . 41.8 mttm -142.75 159.13 42.84 Favored 'General case' 0 N--CA 1.502 2.137 0 O-C-N 120.735 -1.228 . . . . 0.0 109.804 -179.538 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 81.5 mt -114.49 133.67 55.59 Favored 'General case' 0 N--CA 1.502 2.134 0 N-CA-C 107.895 -1.15 . . . . 0.0 107.895 178.508 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 28' ' ' LYS . . . . . 0.508 ' HG2' ' H ' ' B' ' 29' ' ' LYS . 1.5 ttmp? -92.71 179.36 5.51 Favored 'General case' 0 N--CA 1.495 1.822 0 O-C-N 121.157 -0.965 . . . . 0.0 109.803 -179.044 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . 0.508 ' H ' ' HG2' ' B' ' 28' ' ' LYS . 0.3 OUTLIER -59.8 -45.75 91.34 Favored 'General case' 0 N--CA 1.495 1.78 0 O-C-N 121.49 -0.756 . . . . 0.0 110.642 -178.676 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 57.9 m -60.14 -41.08 91.94 Favored 'General case' 0 N--CA 1.495 1.794 0 O-C-N 120.652 -1.28 . . . . 0.0 110.564 -178.866 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -69.87 -39.45 76.32 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.123 -0.986 . . . . 0.0 109.996 -179.416 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 43.2 tp -60.02 -49.88 75.94 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.171 -0.956 . . . . 0.0 110.024 -179.157 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 65.8 tttm -63.9 -40.45 96.54 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.008 -1.057 . . . . 0.0 110.239 -179.624 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 62.0 tt0 -61.41 -39.92 92.53 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.149 -0.969 . . . . 0.0 110.323 -179.176 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 35' ' ' LEU . . . . . 0.514 ' O ' HD13 ' B' ' 35' ' ' LEU . 0.3 OUTLIER -60.05 -43.96 95.02 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.277 -0.89 . . . . 0.0 109.549 -178.94 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 36' ' ' ILE . . . . . 0.463 ' O ' ' O ' ' B' ' 40' ' ' LEU . 3.5 mp -76.32 -30.87 20.23 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.866 0 O-C-N 120.807 -1.183 . . . . 0.0 109.944 179.439 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 21.5 t-20 -58.62 -72.05 0.1 Allowed 'General case' 0 N--CA 1.493 1.698 0 O-C-N 120.888 -1.132 . . . . 0.0 112.172 -177.837 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 3.9 p-10 -81.31 -19.75 42.24 Favored 'General case' 0 N--CA 1.498 1.958 0 O-C-N 121.301 -0.874 . . . . 0.0 113.18 -176.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 1.5 tm-20 -89.69 -77.39 0.39 Allowed 'General case' 0 N--CA 1.502 2.173 0 O-C-N 120.401 -1.437 . . . . 0.0 110.487 -178.093 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 40' ' ' LEU . . . . . 0.463 ' O ' ' O ' ' B' ' 36' ' ' ILE . 0.7 OUTLIER -90.14 112.45 23.94 Favored 'General case' 0 N--CA 1.498 1.944 0 O-C-N 120.875 -1.141 . . . . 0.0 108.714 -179.758 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 87.9 p -145.78 17.82 1.45 Allowed 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.071 -1.018 . . . . 0.0 109.946 -179.823 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 42' ' ' HIS . . . . . . . . . . . . . 43.3 t-80 -126.9 -19.66 4.39 Favored 'General case' 0 N--CA 1.5 2.052 0 O-C-N 121.388 -0.82 . . . . 0.0 110.643 -179.173 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 57.3 m-85 -78.16 -62.46 1.67 Allowed 'General case' 0 N--CA 1.496 1.872 0 O-C-N 120.897 -1.127 . . . . 0.0 110.969 -178.953 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -90.31 -74.61 0.48 Allowed 'General case' 0 N--CA 1.498 1.949 0 O-C-N 120.942 -1.099 . . . . 0.0 110.245 -178.774 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 51.9 tt0 64.81 20.4 12.11 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.535 -0.728 . . . . 0.0 109.273 -179.196 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 15.4 pt-20 -93.59 -0.23 56.29 Favored 'General case' 0 N--CA 1.497 1.89 0 O-C-N 121.147 -0.971 . . . . 0.0 110.268 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 87.6 mt -78.89 114.11 19.15 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.802 0 O-C-N 120.968 -1.082 . . . . 0.0 109.561 -179.334 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 4.7 mmmm -106.08 -51.57 2.95 Favored 'General case' 0 N--CA 1.498 1.973 0 O-C-N 121.414 -0.804 . . . . 0.0 110.478 -179.739 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 79.2 mm-40 -110.71 156.77 20.55 Favored 'General case' 0 N--CA 1.5 2.071 0 O-C-N 121.39 -0.819 . . . . 0.0 110.807 -178.573 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 53.0 tt0 -60.06 -36.91 78.37 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.657 -0.652 . . . . 0.0 109.413 179.138 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 76.5 mm-40 -53.24 -33.53 53.37 Favored 'General case' 0 C--N 1.301 -1.507 0 O-C-N 121.338 -0.851 . . . . 0.0 109.244 -179.342 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 72.7 t -60.05 -40.01 81.99 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.475 0 O-C-N 121.083 -1.011 . . . . 0.0 109.376 -179.833 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 45.6 t -60.11 -42.25 89.36 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.744 0 O-C-N 121.063 -1.023 . . . . 0.0 109.46 179.435 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 50.7 t0 -60.06 -47.21 86.82 Favored 'General case' 0 N--CA 1.495 1.786 0 O-C-N 121.097 -1.002 . . . . 0.0 109.705 -179.809 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 2.5 ttmp? -59.97 -41.11 91.22 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.19 -0.944 . . . . 0.0 109.132 -179.683 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 53.8 t -66.57 -40.12 85.54 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.447 0 O-C-N 121.374 -0.829 . . . . 0.0 108.954 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 57' ' ' MET . . . . . . . . . . . . . 8.2 ttt -60.98 -41.62 96.77 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.261 -0.899 . . . . 0.0 110.261 -179.881 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -64.02 -40.18 95.75 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.206 -0.934 . . . . 0.0 109.567 -179.515 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 93.8 m -66.32 -47.3 74.0 Favored 'General case' 0 N--CA 1.488 1.43 0 O-C-N 121.217 -0.927 . . . . 0.0 108.57 178.888 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 53.6 tp -60.68 -50.04 75.09 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.196 -0.94 . . . . 0.0 110.107 -179.838 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 61' ' ' ASP . . . . . 0.433 ' OD1' ' N ' ' B' ' 64' ' ' GLY . 12.8 t70 -81.86 68.98 8.45 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.121 -0.987 . . . . 0.0 110.625 -179.022 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 7.0 tm-20 -70.17 -32.18 70.02 Favored 'General case' 0 N--CA 1.488 1.464 0 N-CA-C 108.357 -0.979 . . . . 0.0 108.357 178.49 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 5.2 p-10 -59.93 -37.61 79.99 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.908 -0.495 . . . . 0.0 110.396 -179.453 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 64' ' ' GLY . . . . . 0.433 ' N ' ' OD1' ' B' ' 61' ' ' ASP . . . 99.74 28.84 7.23 Favored Glycine 0 N--CA 1.501 2.982 0 O-C-N 121.087 -1.008 . . . . 0.0 110.714 179.466 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 65' ' ' ASP . . . . . 0.46 ' OD1' ' O ' ' B' ' 65' ' ' ASP . 65.6 t0 -85.59 -19.93 30.3 Favored 'General case' 0 N--CA 1.496 1.845 0 O-C-N 120.888 -1.36 . . . . 0.0 109.216 179.38 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 72.02 -1.01 34.93 Favored Glycine 0 N--CA 1.492 2.427 0 N-CA-C 109.25 -1.54 . . . . 0.0 109.25 179.765 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 49.5 mt-10 -135.9 155.91 49.57 Favored 'General case' 0 N--CA 1.495 1.783 0 O-C-N 121.607 -0.937 . . . . 0.0 108.619 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 68' ' ' CYS . . . . . . . . . . . . . 36.2 m -89.7 116.62 27.96 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 120.86 -1.15 . . . . 0.0 109.316 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 69' ' ' ASP . . . . . 0.547 ' OD1' ' N ' ' B' ' 70' ' ' PHE . 18.7 t0 -89.05 171.03 10.14 Favored 'General case' 0 N--CA 1.494 1.727 0 N-CA-C 108.63 -0.878 . . . . 0.0 108.63 179.893 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 70' ' ' PHE . . . . . 0.547 ' N ' ' OD1' ' B' ' 69' ' ' ASP . 41.7 t80 -60.02 -42.15 93.7 Favored 'General case' 0 C--N 1.3 -1.558 0 O-C-N 121.083 -1.01 . . . . 0.0 108.633 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 87.9 mt-30 -61.49 -41.21 96.93 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.393 -0.817 . . . . 0.0 109.661 179.886 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 35.8 mt-10 -63.96 -38.83 92.5 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.348 -0.845 . . . . 0.0 109.298 179.926 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 73' ' ' PHE . . . . . . . . . . . . . 58.0 t80 -60.02 -44.11 94.82 Favored 'General case' 0 C--N 1.301 -1.526 0 O-C-N 121.536 -0.728 . . . . 0.0 109.211 -179.652 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 74' ' ' MET . . . . . . . . . . . . . 94.2 mmm -67.77 -39.92 84.07 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.305 -0.872 . . . . 0.0 109.952 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -59.96 -44.85 94.17 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.132 -0.98 . . . . 0.0 109.699 -179.082 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 58.8 t80 -60.07 -48.52 81.36 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.157 -0.964 . . . . 0.0 109.259 179.83 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 77' ' ' VAL . . . . . . . . . . . . . 53.2 t -61.61 -44.71 99.1 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.491 0 O-C-N 121.293 -0.88 . . . . 0.0 109.104 179.928 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 78' ' ' SER . . . . . . . . . . . . . 22.8 t -60.36 -43.5 96.45 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.33 -0.856 . . . . 0.0 109.753 -179.827 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 79' ' ' MET . . . . . . . . . . . . . 63.3 ttp -60.05 -40.21 88.66 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.235 -0.916 . . . . 0.0 109.963 -179.567 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 76.7 t -69.04 -44.24 81.31 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.567 0 O-C-N 121.146 -0.971 . . . . 0.0 109.771 -179.577 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 81' ' ' THR . . . . . 0.469 ' O ' ' SG ' ' B' ' 84' ' ' CYS . 29.0 m -61.4 -41.05 96.52 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.1 -1.0 . . . . 0.0 109.486 -179.299 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 33.4 p -67.72 -39.74 84.29 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 121.043 -1.036 . . . . 0.0 109.354 179.828 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -73.16 -22.41 60.5 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.451 -0.781 . . . . 0.0 110.803 -179.338 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 84' ' ' CYS . . . . . 0.538 ' SG ' ' O ' ' B' ' 84' ' ' CYS . 14.3 p -44.17 115.91 0.92 Allowed 'General case' 0 N--CA 1.494 1.732 0 O-C-N 121.113 -0.992 . . . . 0.0 110.487 -178.904 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 85' ' ' HIS . . . . . . . . . . . . . 72.9 t60 -98.3 -41.92 7.63 Favored 'General case' 0 N--CA 1.498 1.927 0 O-C-N 120.924 -1.11 . . . . 0.0 109.433 179.819 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 86' ' ' GLU . . . . . 0.665 ' CD ' ' H ' ' B' ' 86' ' ' GLU . 0.8 OUTLIER -71.45 140.1 49.9 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 121.31 -0.869 . . . . 0.0 110.168 -179.542 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 87' ' ' PHE . . . . . . . . . . . . . 96.8 m-85 -112.56 142.05 45.59 Favored 'General case' 0 N--CA 1.5 2.055 0 O-C-N 121.451 -0.781 . . . . 0.0 110.18 -179.516 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 61.7 m-85 -95.7 117.77 31.13 Favored 'General case' 0 N--CA 1.496 1.872 0 O-C-N 121.241 -0.912 . . . . 0.0 108.955 179.113 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 68.1 tt0 -128.53 21.88 6.01 Favored 'General case' 0 N--CA 1.5 2.058 0 O-C-N 121.359 -0.838 . . . . 0.0 109.411 -179.78 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 90' ' ' HIS . . . . . . . . . . . . . 77.7 m-70 -59.95 -36.16 76.5 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 120.357 -1.465 . . . . 0.0 108.885 179.609 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 87.3 tt0 . . . . . 0 N--CA 1.491 1.591 0 CA-C-O 117.935 -1.031 . . . . 0.0 109.051 179.578 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 92' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 93' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 0' ' ' MET . . . . . 0.509 ' SD ' ' O ' ' A' ' 0' ' ' MET . 0.6 OUTLIER . . . . . 0 N--CA 1.491 1.581 0 CA-C-O 121.275 0.56 . . . . 0.0 109.511 . . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 42.8 t -72.45 121.22 19.22 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.046 -1.034 . . . . 0.0 109.427 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 99.7 mt-10 -70.01 -31.65 69.42 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.27 -0.894 . . . . 0.0 110.254 -179.818 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.537 HD23 ' C ' ' A' ' 3' ' ' LEU . 9.1 tt -59.9 -49.32 78.17 Favored 'General case' 0 N--CA 1.494 1.725 0 O-C-N 121.114 -0.992 . . . . 0.0 110.587 -178.309 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 1.1 pp20? -61.18 -39.94 92.05 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 120.617 -1.302 . . . . 0.0 109.903 -179.466 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 86.8 tttt -66.33 -40.42 89.86 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 120.92 -1.113 . . . . 0.0 108.831 179.558 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -61.69 -40.38 94.78 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.623 -0.673 . . . . 0.0 110.104 -179.62 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 27.1 ttt -60.06 -40.0 87.94 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.182 -0.949 . . . . 0.0 109.448 -179.61 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 67.5 t -60.48 -39.77 82.21 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.572 0 O-C-N 121.462 -0.774 . . . . 0.0 109.597 179.712 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.89 -40.73 89.73 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.226 -0.921 . . . . 0.0 110.932 -178.179 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.401 HD22 ' N ' ' A' ' 10' ' ' LEU . 4.0 mm? -60.07 -49.98 75.51 Favored 'General case' 0 N--CA 1.495 1.784 0 O-C-N 120.68 -1.263 . . . . 0.0 109.758 -179.83 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 98.2 mt -60.16 -47.79 90.64 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.578 0 O-C-N 121.016 -1.053 . . . . 0.0 109.694 -179.647 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 10.3 t70 -61.83 -47.72 83.83 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.19 -0.944 . . . . 0.0 110.266 -179.481 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 54.2 t -67.42 -43.64 87.48 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.678 0 O-C-N 121.077 -1.015 . . . . 0.0 109.964 -179.27 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 64.3 t80 -60.0 -45.58 92.29 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.036 -1.04 . . . . 0.0 110.037 -179.443 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . 0.402 ' NE2' ' O ' ' B' ' 89' ' ' GLU . 4.1 t-80 -61.36 -40.06 92.9 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.249 -0.907 . . . . 0.0 110.627 -178.874 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 65.6 mt-30 -63.7 -58.47 6.79 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 120.942 -1.099 . . . . 0.0 110.601 -178.907 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 50.0 m-85 -64.7 -39.98 94.58 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.085 -1.009 . . . . 0.0 110.281 -179.506 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 57.6 p -66.06 -33.58 76.12 Favored 'General case' 0 C--N 1.297 -1.693 0 O-C-N 121.052 -1.03 . . . . 0.0 109.061 179.835 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -80.57 -15.33 78.29 Favored Glycine 0 N--CA 1.494 2.504 0 C-N-CA 120.121 -1.038 . . . . 0.0 110.541 -179.921 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 23.5 mmt180 -60.01 -40.03 87.86 Favored 'General case' 0 N--CA 1.496 1.874 0 O-C-N 120.883 -1.363 . . . . 0.0 110.557 -179.761 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 13.4 pt-20 -154.46 167.95 28.33 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 120.923 -1.111 . . . . 0.0 110.369 -179.1 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 100.92 175.81 29.3 Favored Glycine 0 N--CA 1.495 2.576 0 N-CA-C 108.867 -1.693 . . . . 0.0 108.867 -179.666 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 57.0 t0 -58.29 -58.06 10.17 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.023 -1.281 . . . . 0.0 109.01 -179.74 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 42.2 mtpt -153.47 -37.94 0.1 Allowed 'General case' 0 N--CA 1.493 1.718 0 O-C-N 121.315 -0.866 . . . . 0.0 110.014 178.789 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -159.8 75.4 0.62 Allowed 'General case' 0 N--CA 1.488 1.426 0 O-C-N 120.715 -1.24 . . . . 0.0 111.935 -178.677 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 57.9 pttt -144.36 158.67 43.62 Favored 'General case' 0 N--CA 1.498 1.956 0 O-C-N 121.107 -0.996 . . . . 0.0 108.406 177.712 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 89.3 mt -107.97 127.74 54.03 Favored 'General case' 0 N--CA 1.5 2.044 0 O-C-N 121.305 -0.872 . . . . 0.0 110.596 -178.796 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 54.6 tttp -105.23 165.54 11.04 Favored 'General case' 0 N--CA 1.496 1.826 0 N-CA-C 108.165 -1.05 . . . . 0.0 108.165 179.267 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 7.9 ttpm? -60.06 -43.33 95.47 Favored 'General case' 0 N--CA 1.495 1.797 0 O-C-N 120.836 -1.165 . . . . 0.0 110.571 -178.56 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . 0.429 ' O ' ' OE1' ' A' ' 34' ' ' GLU . 88.6 p -60.59 -40.39 91.6 Favored 'General case' 0 N--CA 1.495 1.82 0 O-C-N 120.922 -1.111 . . . . 0.0 109.865 -179.742 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 86.4 tt0 -59.99 -37.64 80.25 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.394 -0.816 . . . . 0.0 109.996 -179.897 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 96.0 mt -60.0 -39.94 87.5 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.28 -0.888 . . . . 0.0 111.055 -178.242 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 7.3 ttpm? -60.06 -49.64 76.85 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 120.531 -1.355 . . . . 0.0 110.046 -178.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . 0.481 ' N ' ' OE1' ' A' ' 34' ' ' GLU . 21.7 mp0 -69.93 -40.27 75.62 Favored 'General case' 0 N--CA 1.495 1.803 0 O-C-N 120.945 -1.097 . . . . 0.0 110.11 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.455 ' O ' ' OD1' ' A' ' 38' ' ' ASN . 7.4 tt -61.72 -41.05 97.11 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.34 -0.85 . . . . 0.0 110.145 -179.628 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 86.4 mt -69.55 -39.98 79.08 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.57 0 O-C-N 121.033 -1.042 . . . . 0.0 110.658 -178.782 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 25.7 m-20 -60.06 -40.03 88.05 Favored 'General case' 0 N--CA 1.495 1.8 0 O-C-N 121.008 -1.057 . . . . 0.0 112.191 -178.158 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . 0.455 ' OD1' ' O ' ' A' ' 35' ' ' LEU . 7.6 p-10 -71.22 -40.07 71.33 Favored 'General case' 0 N--CA 1.496 1.847 0 O-C-N 120.447 -1.408 . . . . 0.0 111.878 -178.126 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -91.91 -79.69 0.37 Allowed 'General case' 0 N--CA 1.505 2.286 0 O-C-N 120.599 -1.313 . . . . 0.0 110.924 -178.899 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.5 ' N ' HD12 ' A' ' 40' ' ' LEU . 11.1 mp -72.53 138.58 47.03 Favored 'General case' 0 N--CA 1.496 1.87 0 O-C-N 120.969 -1.082 . . . . 0.0 110.466 -178.515 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 24.6 p -148.2 -54.16 0.2 Allowed 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.579 -0.701 . . . . 0.0 109.535 179.564 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 39.3 m80 -90.62 -12.88 35.6 Favored 'General case' 0 N--CA 1.497 1.909 0 O-C-N 121.109 -0.995 . . . . 0.0 110.445 -179.734 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 59.3 m-85 -59.96 -40.01 87.61 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 120.751 -1.218 . . . . 0.0 108.886 -179.556 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.852 ' N ' HD13 ' A' ' 44' ' ' LEU . 0.0 OUTLIER -108.17 163.95 12.73 Favored 'General case' 0 N--CA 1.5 2.046 0 N-CA-C 107.452 -1.314 . . . . 0.0 107.452 177.764 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 56.5 mp0 -55.22 -61.83 2.07 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 120.447 -1.408 . . . . 0.0 109.466 -178.496 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 81.4 tt0 -179.31 142.7 0.19 Allowed 'General case' 0 N--CA 1.496 1.836 0 N-CA-C 109.088 -0.708 . . . . 0.0 109.088 179.235 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 42.2 mm -84.54 120.09 34.61 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.769 0 O-C-N 121.101 -0.999 . . . . 0.0 108.84 179.562 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 31.1 tttm -161.53 -23.22 0.05 Allowed 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.12 -0.988 . . . . 0.0 109.919 179.763 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.526 ' OE1' ' N ' ' A' ' 49' ' ' GLU . 56.6 mp0 -101.83 139.98 36.74 Favored 'General case' 0 N--CA 1.497 1.903 0 O-C-N 121.25 -0.906 . . . . 0.0 109.255 179.852 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 26.5 mm100 -68.64 -33.6 74.29 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.413 -0.805 . . . . 0.0 109.568 -179.828 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.41 ' OE1' ' N ' ' A' ' 51' ' ' GLU . 59.4 mp0 -60.03 -39.92 87.57 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.31 -0.869 . . . . 0.0 110.335 -179.145 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 71.7 t -60.04 -40.68 83.9 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.616 0 O-C-N 121.085 -1.009 . . . . 0.0 109.634 -178.872 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 54.6 t -69.78 -41.9 79.97 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.505 0 O-C-N 121.109 -0.994 . . . . 0.0 109.546 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 55.5 t0 -59.92 -44.46 94.29 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.289 -0.882 . . . . 0.0 109.637 -179.66 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 63.0 tttp -60.01 -47.49 85.63 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.438 -0.789 . . . . 0.0 110.229 -179.468 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 56.1 t -68.31 -40.52 82.63 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.617 0 O-C-N 121.169 -0.957 . . . . 0.0 109.578 -179.354 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . 0.458 ' SD ' ' O ' ' A' ' 57' ' ' MET . 0.0 OUTLIER -66.74 -45.06 79.83 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.368 -0.832 . . . . 0.0 110.007 -179.277 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 7.0 tm-20 -66.77 -45.18 79.35 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.317 -0.864 . . . . 0.0 110.788 -179.04 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 94.2 m -65.62 -40.01 92.13 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.043 -1.036 . . . . 0.0 110.215 -179.123 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.48 ' O ' HD23 ' A' ' 60' ' ' LEU . 4.5 tt -64.35 -47.74 78.18 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.175 -0.953 . . . . 0.0 109.46 -179.534 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . 0.529 ' OD2' ' N ' ' A' ' 65' ' ' ASP . 32.1 t0 -76.88 95.79 4.17 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.023 -1.048 . . . . 0.0 109.005 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 90.6 mt-10 -68.73 -39.99 80.11 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.336 -0.853 . . . . 0.0 110.366 -179.112 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . 0.451 ' OD2' ' OD2' ' A' ' 65' ' ' ASP . 31.6 p30 -93.48 1.17 56.89 Favored 'General case' 0 N--CA 1.494 1.768 0 O-C-N 121.106 -0.996 . . . . 0.0 110.25 -179.379 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 61.3 45.77 95.8 Favored Glycine 0 N--CA 1.492 2.387 0 N-CA-C 109.971 -1.252 . . . . 0.0 109.971 179.385 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . 0.529 ' N ' ' OD2' ' A' ' 61' ' ' ASP . 95.2 m-20 -69.82 -18.82 63.48 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.109 -1.23 . . . . 0.0 109.34 179.776 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 88.01 -9.92 72.71 Favored Glycine 0 N--CA 1.491 2.32 0 N-CA-C 108.421 -1.872 . . . . 0.0 108.421 -179.544 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 13.7 pt-20 -144.52 154.26 42.71 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.63 -0.923 . . . . 0.0 109.324 -179.809 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -112.57 129.35 56.4 Favored 'General case' 0 N--CA 1.502 2.148 0 N-CA-C 108.886 -0.783 . . . . 0.0 108.886 179.794 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . 0.517 ' OD1' ' N ' ' A' ' 70' ' ' PHE . 16.3 t70 -90.8 -177.77 5.06 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.296 -0.877 . . . . 0.0 110.056 -179.723 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' PHE . . . . . 0.517 ' N ' ' OD1' ' A' ' 69' ' ' ASP . 27.3 t80 -60.0 -41.37 91.96 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.369 -0.832 . . . . 0.0 109.386 -179.702 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 67.9 tp60 -59.91 -43.24 94.97 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.227 -0.92 . . . . 0.0 109.328 -179.728 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 79.3 mt-10 -69.99 -29.73 66.9 Favored 'General case' 0 C--N 1.303 -1.422 0 O-C-N 121.256 -0.903 . . . . 0.0 109.506 179.896 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 77.2 t80 -59.98 -43.69 94.96 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 120.781 -1.199 . . . . 0.0 109.142 179.225 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 97.3 mmm -60.33 -36.28 77.58 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.262 -0.898 . . . . 0.0 108.909 179.26 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -60.04 -36.39 77.19 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.251 -0.906 . . . . 0.0 109.872 -179.813 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -58.59 -50.92 72.06 Favored 'General case' 0 N--CA 1.491 1.621 0 N-CA-C 108.178 -1.045 . . . . 0.0 108.178 -179.817 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 60.9 t -66.58 -42.61 90.2 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.574 0 O-C-N 121.312 -0.868 . . . . 0.0 110.416 -179.572 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 60.6 p -60.83 -46.19 91.5 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.089 -1.007 . . . . 0.0 110.613 -178.882 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 8.9 ttm -60.21 -49.99 75.43 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 120.984 -1.072 . . . . 0.0 109.99 -179.783 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 79.6 t -67.68 -39.77 82.76 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.49 0 O-C-N 121.573 -0.704 . . . . 0.0 109.801 -179.323 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . 0.499 ' O ' ' SG ' ' A' ' 84' ' ' CYS . 94.4 m -60.13 -40.3 89.28 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.069 -1.02 . . . . 0.0 110.111 -178.363 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 25.5 p -69.72 -38.79 77.03 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 120.869 -1.144 . . . . 0.0 109.286 179.65 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -79.29 -10.65 59.86 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.39 -0.819 . . . . 0.0 109.948 -179.829 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' CYS . . . . . 0.502 ' SG ' ' O ' ' A' ' 84' ' ' CYS . 12.0 p -55.21 125.97 22.88 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.04 -1.037 . . . . 0.0 109.524 -179.558 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' HIS . . . . . 0.474 ' H ' ' CD2' ' A' ' 85' ' ' HIS . 0.6 OUTLIER -106.87 19.86 19.86 Favored 'General case' 0 N--CA 1.498 1.97 0 O-C-N 121.519 -0.738 . . . . 0.0 109.674 -179.802 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 63.7 mm-40 -56.8 134.5 55.18 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.073 -1.017 . . . . 0.0 109.766 -179.386 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' PHE . . . . . 0.454 ' CE1' ' O ' ' A' ' 85' ' ' HIS . 1.9 m-85 -100.9 108.37 20.12 Favored 'General case' 0 N--CA 1.496 1.855 0 O-C-N 121.408 -0.808 . . . . 0.0 109.596 -179.853 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 23.2 m-85 -109.97 -89.93 0.48 Allowed 'General case' 0 N--CA 1.498 1.958 0 N-CA-C 108.152 -1.055 . . . . 0.0 108.152 179.036 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 67.8 mm-40 -95.76 103.84 15.74 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.121 -0.987 . . . . 0.0 109.18 179.633 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 16.5 p-80 -70.56 -20.2 62.81 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.386 -0.821 . . . . 0.0 109.605 179.821 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 . . . . . 0 N--CA 1.496 1.832 0 CA-C-O 117.993 -1.003 . . . . 0.0 109.645 -179.878 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 0' ' ' MET . . . . . 0.506 ' SD ' ' O ' ' B' ' 0' ' ' MET . 0.6 OUTLIER . . . . . 0 N--CA 1.488 1.47 0 CA-C-O 121.2 0.524 . . . . 0.0 109.595 . . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 45.2 t -72.57 121.23 19.35 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.006 -1.059 . . . . 0.0 109.261 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 99.6 mt-10 -70.0 -31.85 69.73 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.302 -0.874 . . . . 0.0 110.225 -179.846 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 3' ' ' LEU . . . . . 0.519 ' C ' HD23 ' B' ' 3' ' ' LEU . 9.3 tt -59.96 -49.36 77.98 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.208 -0.932 . . . . 0.0 110.584 -178.252 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 1.1 pp20? -61.09 -40.0 92.06 Favored 'General case' 0 N--CA 1.494 1.755 0 O-C-N 120.647 -1.283 . . . . 0.0 109.871 -179.408 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 87.2 tttt -66.3 -40.34 89.93 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 120.978 -1.077 . . . . 0.0 108.963 179.639 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -61.69 -40.7 95.92 Favored 'General case' 0 N--CA 1.488 1.438 0 O-C-N 121.515 -0.74 . . . . 0.0 110.114 -179.637 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 7' ' ' MET . . . . . . . . . . . . . 27.9 ttt -60.01 -39.99 87.71 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.239 -0.913 . . . . 0.0 109.502 -179.54 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 64.6 t -60.23 -39.89 82.05 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.583 0 O-C-N 121.361 -0.837 . . . . 0.0 109.594 179.459 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.59 -40.88 88.92 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.248 -0.908 . . . . 0.0 111.007 -178.227 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 10' ' ' LEU . . . . . 0.423 ' N ' HD22 ' B' ' 10' ' ' LEU . 4.1 mm? -60.04 -50.0 75.44 Favored 'General case' 0 N--CA 1.495 1.813 0 O-C-N 120.676 -1.265 . . . . 0.0 109.714 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 96.8 mt -60.12 -47.94 89.99 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.533 0 O-C-N 120.97 -1.081 . . . . 0.0 109.782 -179.647 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 10.6 t70 -61.5 -48.34 81.51 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.182 -0.949 . . . . 0.0 110.178 -179.643 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 54.6 t -66.87 -43.77 89.33 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.65 0 O-C-N 120.957 -1.089 . . . . 0.0 110.038 -179.356 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 14' ' ' PHE . . . . . . . . . . . . . 65.0 t80 -59.98 -45.68 91.91 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.048 -1.032 . . . . 0.0 110.033 -179.343 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 3.9 t-80 -61.19 -39.93 92.02 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.203 -0.936 . . . . 0.0 110.722 -178.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 65.9 mt-30 -63.87 -58.9 5.37 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 120.917 -1.114 . . . . 0.0 110.576 -178.908 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 49.6 m-85 -64.24 -40.0 95.12 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.02 -1.05 . . . . 0.0 110.263 -179.603 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 60.7 p -65.67 -34.15 77.55 Favored 'General case' 0 C--N 1.298 -1.64 0 O-C-N 121.021 -1.049 . . . . 0.0 109.138 179.845 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -80.7 -14.82 79.16 Favored Glycine 0 N--CA 1.494 2.508 0 C-N-CA 120.096 -1.049 . . . . 0.0 110.535 -179.75 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 23.5 mmt180 -60.08 -39.9 87.7 Favored 'General case' 0 N--CA 1.497 1.888 0 O-C-N 120.836 -1.39 . . . . 0.0 110.486 -179.827 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 13.9 pt-20 -154.35 168.17 27.53 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 120.991 -1.068 . . . . 0.0 110.172 -179.168 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . 101.18 176.19 28.98 Favored Glycine 0 N--CA 1.496 2.677 0 N-CA-C 108.862 -1.695 . . . . 0.0 108.862 -179.683 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 58.0 t0 -59.68 -56.36 22.78 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 120.995 -1.297 . . . . 0.0 108.989 -179.62 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 41.7 mtpt -154.24 -38.82 0.09 Allowed 'General case' 0 N--CA 1.494 1.766 0 O-C-N 121.199 -0.938 . . . . 0.0 110.019 178.734 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 25' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -159.41 75.65 0.66 Allowed 'General case' 0 N--CA 1.489 1.49 0 O-C-N 120.671 -1.268 . . . . 0.0 111.811 -178.744 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 56.6 pttt -144.62 158.81 43.61 Favored 'General case' 0 N--CA 1.497 1.921 0 O-C-N 121.096 -1.003 . . . . 0.0 108.423 177.737 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 89.0 mt -108.38 128.11 54.47 Favored 'General case' 0 N--CA 1.501 2.085 0 O-C-N 121.271 -0.893 . . . . 0.0 110.372 -178.516 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 55.7 tttp -105.45 165.45 11.13 Favored 'General case' 0 N--CA 1.494 1.73 0 N-CA-C 108.201 -1.037 . . . . 0.0 108.201 179.234 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 8.0 ttpm? -60.02 -43.16 95.46 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 120.79 -1.194 . . . . 0.0 110.551 -178.588 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 30' ' ' SER . . . . . 0.427 ' O ' ' OE1' ' B' ' 34' ' ' GLU . 94.7 p -60.61 -40.3 91.36 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 120.895 -1.128 . . . . 0.0 109.922 -179.576 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 85.5 tt0 -60.09 -37.74 80.83 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.383 -0.823 . . . . 0.0 110.072 179.893 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 96.0 mt -60.01 -40.05 87.89 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.196 -0.94 . . . . 0.0 111.017 -178.222 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 7.7 ttpm? -59.97 -49.58 77.13 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 120.415 -1.428 . . . . 0.0 110.116 -178.911 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 34' ' ' GLU . . . . . 0.488 ' OE1' ' N ' ' B' ' 34' ' ' GLU . 22.7 mp0 -69.86 -40.0 76.04 Favored 'General case' 0 N--CA 1.496 1.838 0 O-C-N 120.931 -1.106 . . . . 0.0 110.121 179.774 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 35' ' ' LEU . . . . . 0.462 ' O ' ' OD1' ' B' ' 38' ' ' ASN . 7.7 tt -62.15 -40.75 97.03 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.3 -0.875 . . . . 0.0 110.05 -179.41 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 89.1 mt -69.55 -39.96 79.04 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.597 0 O-C-N 121.156 -0.965 . . . . 0.0 110.722 -178.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 28.0 m-20 -60.03 -39.98 87.75 Favored 'General case' 0 N--CA 1.495 1.776 0 O-C-N 121.109 -0.994 . . . . 0.0 112.306 -178.194 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 38' ' ' ASN . . . . . 0.462 ' OD1' ' O ' ' B' ' 35' ' ' LEU . 7.5 p-10 -71.23 -40.02 71.34 Favored 'General case' 0 N--CA 1.495 1.785 0 O-C-N 120.449 -1.407 . . . . 0.0 111.942 -178.086 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -91.79 -79.75 0.37 Allowed 'General case' 0 N--CA 1.504 2.249 0 O-C-N 120.555 -1.341 . . . . 0.0 110.906 -178.92 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 40' ' ' LEU . . . . . 0.503 HD12 ' N ' ' B' ' 40' ' ' LEU . 11.1 mp -72.69 138.5 46.65 Favored 'General case' 0 N--CA 1.497 1.905 0 O-C-N 120.897 -1.127 . . . . 0.0 110.645 -178.494 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 40.5 p -147.99 -53.63 0.2 Allowed 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.61 -0.682 . . . . 0.0 109.524 179.479 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 42' ' ' HIS . . . . . . . . . . . . . 38.0 m80 -91.0 -12.82 34.68 Favored 'General case' 0 N--CA 1.498 1.933 0 O-C-N 121.125 -0.985 . . . . 0.0 110.296 -179.622 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 57.9 m-85 -60.01 -39.94 87.54 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 120.782 -1.199 . . . . 0.0 108.881 -179.613 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 44' ' ' LEU . . . . . 0.851 ' N ' HD13 ' B' ' 44' ' ' LEU . 0.0 OUTLIER -108.72 163.44 13.26 Favored 'General case' 0 N--CA 1.499 2.013 0 N-CA-C 107.397 -1.335 . . . . 0.0 107.397 177.909 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 56.6 mp0 -54.57 -62.21 1.8 Allowed 'General case' 0 N--CA 1.491 1.594 0 O-C-N 120.579 -1.326 . . . . 0.0 109.468 -178.358 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 81.1 tt0 -179.09 142.77 0.2 Allowed 'General case' 0 N--CA 1.497 1.888 0 N-CA-C 109.042 -0.725 . . . . 0.0 109.042 179.22 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 39.9 mm -84.67 120.25 34.96 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.767 0 O-C-N 120.909 -1.119 . . . . 0.0 108.806 179.519 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 32.0 tttm -161.22 -23.45 0.05 Allowed 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.09 -1.006 . . . . 0.0 109.995 179.812 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 49' ' ' GLU . . . . . 0.511 ' OE1' ' N ' ' B' ' 49' ' ' GLU . 57.7 mp0 -101.93 139.97 36.85 Favored 'General case' 0 N--CA 1.496 1.871 0 O-C-N 121.17 -0.956 . . . . 0.0 109.324 179.884 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 26.3 mm100 -68.37 -33.57 74.5 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.425 -0.797 . . . . 0.0 109.593 -179.867 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 59.7 mp0 -60.03 -39.97 87.73 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.348 -0.845 . . . . 0.0 110.249 -179.044 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 74.5 t -59.99 -40.58 83.48 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.626 0 O-C-N 121.062 -1.024 . . . . 0.0 109.725 -178.825 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 54.5 t -69.96 -41.44 79.42 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.601 0 O-C-N 121.128 -0.983 . . . . 0.0 109.589 179.823 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 56.8 t0 -60.21 -44.48 95.12 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.175 -0.953 . . . . 0.0 109.489 -179.6 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 62.7 tttp -60.12 -47.89 84.02 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.326 -0.858 . . . . 0.0 110.204 -179.534 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 54.6 t -67.66 -41.08 85.14 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.581 0 O-C-N 121.185 -0.947 . . . . 0.0 109.61 -179.211 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 57' ' ' MET . . . . . 0.464 ' SD ' ' O ' ' B' ' 57' ' ' MET . 0.0 OUTLIER -66.29 -45.07 81.69 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.411 -0.806 . . . . 0.0 110.09 -179.261 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 7.4 tm-20 -67.44 -44.4 78.78 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.344 -0.847 . . . . 0.0 110.81 -178.904 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 94.0 m -65.76 -40.06 91.68 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.037 -1.039 . . . . 0.0 110.129 -179.228 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 60' ' ' LEU . . . . . 0.475 ' O ' HD23 ' B' ' 60' ' ' LEU . 4.1 tt -64.23 -48.01 77.48 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.22 -0.925 . . . . 0.0 109.484 -179.662 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 61' ' ' ASP . . . . . 0.523 ' OD2' ' N ' ' B' ' 65' ' ' ASP . 31.4 t0 -76.51 95.62 3.92 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.07 -1.019 . . . . 0.0 109.036 -179.929 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 88.1 mt-10 -68.55 -39.98 80.87 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.361 -0.837 . . . . 0.0 110.462 -179.274 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 63' ' ' ASP . . . . . 0.455 ' OD2' ' OD2' ' B' ' 65' ' ' ASP . 29.7 p30 -93.6 1.48 56.66 Favored 'General case' 0 N--CA 1.498 1.947 0 O-C-N 121.156 -0.965 . . . . 0.0 110.146 -179.374 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 61.03 45.78 95.9 Favored Glycine 0 N--CA 1.491 2.347 0 N-CA-C 110.055 -1.218 . . . . 0.0 110.055 179.478 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 65' ' ' ASP . . . . . 0.523 ' N ' ' OD2' ' B' ' 61' ' ' ASP . 95.4 m-20 -69.64 -19.04 63.63 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.127 -1.22 . . . . 0.0 109.456 179.735 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 87.94 -9.8 73.0 Favored Glycine 0 N--CA 1.491 2.329 0 N-CA-C 108.447 -1.861 . . . . 0.0 108.447 -179.439 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 13.6 pt-20 -144.65 154.29 42.64 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.655 -0.909 . . . . 0.0 109.306 -179.752 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 68' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -112.97 129.45 56.48 Favored 'General case' 0 N--CA 1.502 2.13 0 N-CA-C 108.948 -0.76 . . . . 0.0 108.948 179.91 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 69' ' ' ASP . . . . . 0.513 ' OD1' ' N ' ' B' ' 70' ' ' PHE . 16.3 t70 -90.52 -177.71 5.12 Favored 'General case' 0 N--CA 1.494 1.743 0 O-C-N 121.436 -0.79 . . . . 0.0 110.007 -179.67 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 70' ' ' PHE . . . . . 0.513 ' N ' ' OD1' ' B' ' 69' ' ' ASP . 28.6 t80 -60.0 -41.31 91.83 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.497 -0.752 . . . . 0.0 109.419 -179.859 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 66.2 tp60 -60.02 -43.41 95.27 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.311 -0.868 . . . . 0.0 109.368 -179.793 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 79.8 mt-10 -69.45 -29.97 67.78 Favored 'General case' 0 C--N 1.303 -1.44 0 O-C-N 121.19 -0.944 . . . . 0.0 109.611 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 73' ' ' PHE . . . . . . . . . . . . . 76.2 t80 -60.11 -43.79 95.33 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.002 -1.061 . . . . 0.0 109.136 179.411 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 74' ' ' MET . . . . . . . . . . . . . 97.6 mmm -60.13 -35.54 75.5 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.333 -0.854 . . . . 0.0 108.746 179.159 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -60.08 -37.76 80.86 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.515 -0.74 . . . . 0.0 109.73 -179.83 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -57.89 -51.09 71.04 Favored 'General case' 0 N--CA 1.493 1.715 0 N-CA-C 108.356 -0.979 . . . . 0.0 108.356 -179.792 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 77' ' ' VAL . . . . . . . . . . . . . 60.0 t -66.47 -42.48 90.32 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.529 0 O-C-N 121.379 -0.826 . . . . 0.0 110.367 -179.474 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 78' ' ' SER . . . . . . . . . . . . . 59.7 p -60.59 -46.73 89.13 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.157 -0.964 . . . . 0.0 110.6 -178.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 79' ' ' MET . . . . . . . . . . . . . 9.7 ttm -60.0 -50.05 75.25 Favored 'General case' 0 N--CA 1.494 1.745 0 O-C-N 121.026 -1.046 . . . . 0.0 109.963 -179.596 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 64.0 t -67.83 -39.85 82.6 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.482 0 O-C-N 121.474 -0.766 . . . . 0.0 109.89 -179.093 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 81' ' ' THR . . . . . 0.49 ' O ' ' SG ' ' B' ' 84' ' ' CYS . 87.7 m -59.97 -40.18 88.17 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.226 -0.921 . . . . 0.0 110.127 -178.385 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 29.3 p -69.98 -38.27 75.98 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 120.952 -1.092 . . . . 0.0 109.369 179.607 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -79.47 -11.09 59.91 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.318 -0.864 . . . . 0.0 109.786 -179.874 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 84' ' ' CYS . . . . . 0.5 ' SG ' ' O ' ' B' ' 84' ' ' CYS . 11.4 p -54.88 126.13 23.08 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.169 -0.957 . . . . 0.0 109.758 -179.645 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 85' ' ' HIS . . . . . 0.481 ' O ' ' CE1' ' B' ' 87' ' ' PHE . 0.6 OUTLIER -107.3 19.98 19.58 Favored 'General case' 0 N--CA 1.499 1.995 0 O-C-N 121.499 -0.75 . . . . 0.0 109.588 -179.719 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 63.7 mm-40 -56.86 134.43 55.29 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.189 -0.944 . . . . 0.0 109.549 -179.437 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 87' ' ' PHE . . . . . 0.481 ' CE1' ' O ' ' B' ' 85' ' ' HIS . 2.0 m-85 -100.78 108.56 20.41 Favored 'General case' 0 N--CA 1.494 1.764 0 O-C-N 121.493 -0.755 . . . . 0.0 109.613 -179.841 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 22.8 m-85 -110.09 -90.02 0.48 Allowed 'General case' 0 N--CA 1.498 1.972 0 N-CA-C 108.205 -1.035 . . . . 0.0 108.205 179.099 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 89' ' ' GLU . . . . . 0.402 ' O ' ' NE2' ' A' ' 15' ' ' HIS . 67.6 mm-40 -95.69 103.56 15.44 Favored 'General case' 0 N--CA 1.494 1.751 0 O-C-N 121.177 -0.952 . . . . 0.0 109.126 179.686 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 90' ' ' HIS . . . . . . . . . . . . . 12.7 p-80 -70.04 -19.92 63.28 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.358 -0.839 . . . . 0.0 109.316 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 . . . . . 0 N--CA 1.497 1.882 0 CA-C-O 117.946 -1.026 . . . . 0.0 109.598 -179.464 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 92' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 93' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 21.0 ptt? . . . . . 0 N--CA 1.49 1.54 0 CA-C-O 121.391 0.615 . . . . 0.0 109.388 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 28.2 t -83.74 169.74 14.91 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.238 -0.914 . . . . 0.0 109.585 -179.911 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 63.4 mm-40 -59.94 -36.59 77.38 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.487 -0.758 . . . . 0.0 109.319 179.874 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.509 HD13 ' O ' ' A' ' 3' ' ' LEU . 0.3 OUTLIER -59.24 -48.28 82.22 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.337 -0.852 . . . . 0.0 109.298 -179.334 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . 0.483 ' OE1' ' CE1' ' B' ' 43' ' ' PHE . 43.0 mm-40 -60.84 -42.15 97.22 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 120.894 -1.129 . . . . 0.0 109.593 -179.938 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 54.3 mttp -68.76 -38.4 80.07 Favored 'General case' 0 N--CA 1.495 1.797 0 O-C-N 121.425 -0.797 . . . . 0.0 110.622 -179.903 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -59.23 -39.93 84.31 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.086 -1.009 . . . . 0.0 109.359 -179.022 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 36.3 tpp -60.04 -44.49 94.63 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.218 -0.927 . . . . 0.0 108.886 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 76.7 t -69.94 -40.01 78.19 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.716 0 O-C-N 121.301 -0.874 . . . . 0.0 110.06 179.709 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -47.55 -50.84 22.76 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.277 -0.889 . . . . 0.0 110.632 -178.265 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.425 ' N ' HD12 ' A' ' 10' ' ' LEU . 10.0 mp -60.08 -43.12 95.72 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 120.816 -1.178 . . . . 0.0 109.94 -179.45 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 96.7 mt -69.99 -40.04 78.13 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.66 0 O-C-N 121.21 -0.932 . . . . 0.0 111.002 -179.082 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 37.2 t0 -65.23 -49.95 67.71 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.111 -0.993 . . . . 0.0 110.651 -178.698 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 53.9 t -67.2 -46.99 82.94 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.563 0 O-C-N 121.113 -0.992 . . . . 0.0 110.161 -178.933 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 62.5 t80 -60.05 -49.53 77.29 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.121 -0.987 . . . . 0.0 110.321 -179.203 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 86.3 t60 -60.0 -47.57 85.3 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.191 -0.943 . . . . 0.0 110.968 -178.902 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 45.9 mt-30 -64.99 -53.9 38.88 Favored 'General case' 0 C--N 1.3 -1.571 0 O-C-N 121.172 -0.955 . . . . 0.0 111.408 -178.496 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 63.4 t80 -69.74 -40.93 75.87 Favored 'General case' 0 N--CA 1.495 1.78 0 O-C-N 120.995 -1.066 . . . . 0.0 111.239 -178.422 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 23.3 t -64.3 -40.17 95.4 Favored 'General case' 0 N--CA 1.494 1.736 0 O-C-N 121.123 -0.986 . . . . 0.0 111.408 -178.487 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -69.6 -14.7 70.05 Favored Glycine 0 N--CA 1.495 2.611 0 C-N-CA 119.856 -1.164 . . . . 0.0 110.999 -178.287 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 19.7 mmt180 -63.1 -40.02 96.4 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 120.917 -1.343 . . . . 0.0 109.971 -179.709 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 77.6 mm-40 -113.56 129.81 56.48 Favored 'General case' 0 N--CA 1.5 2.039 0 O-C-N 121.456 -0.777 . . . . 0.0 109.763 -179.428 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 84.22 -13.54 49.76 Favored Glycine 0 N--CA 1.495 2.6 0 N-CA-C 110.007 -1.237 . . . . 0.0 110.007 179.518 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 45.3 t0 50.07 40.01 20.49 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.215 -1.168 . . . . 0.0 109.612 -179.917 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 28.5 ttmt -160.11 -125.49 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.092 -1.005 . . . . 0.0 108.893 179.681 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 97.6 m-70 -146.38 75.86 1.42 Allowed 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.029 -1.044 . . . . 0.0 109.358 179.815 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -145.78 147.5 31.94 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.41 -0.806 . . . . 0.0 109.399 179.568 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 41.3 mt -128.95 126.93 40.7 Favored 'General case' 0 N--CA 1.496 1.84 0 N-CA-C 108.503 -0.925 . . . . 0.0 108.503 179.627 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.479 ' HG3' ' H ' ' A' ' 31' ' ' GLU . 0.1 OUTLIER -100.77 -176.62 3.23 Favored 'General case' 0 N--CA 1.498 1.928 0 O-C-N 121.335 -0.853 . . . . 0.0 109.11 179.722 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 1.6 mppt? -60.06 -49.52 77.34 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.195 -0.94 . . . . 0.0 110.608 -178.828 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 62.7 m -63.03 -43.2 99.36 Favored 'General case' 0 N--CA 1.495 1.781 0 O-C-N 121.136 -0.977 . . . . 0.0 110.864 -179.047 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.479 ' H ' ' HG3' ' A' ' 28' ' ' LYS . 84.7 tt0 -64.64 -39.96 94.63 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.299 -0.876 . . . . 0.0 110.532 -179.025 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 55.5 tp -59.97 -49.38 77.92 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.187 -0.946 . . . . 0.0 109.327 -178.738 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 9.6 mtpm? -60.73 -40.17 91.37 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.093 -1.004 . . . . 0.0 109.833 179.911 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 72.7 mm-40 -65.73 -39.98 91.7 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.311 -0.868 . . . . 0.0 110.074 -179.722 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.622 ' O ' HD23 ' A' ' 35' ' ' LEU . 3.1 tt -60.67 -46.13 91.51 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.173 -0.955 . . . . 0.0 109.061 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 89.1 mt -60.02 -42.47 89.78 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.653 0 O-C-N 121.195 -0.941 . . . . 0.0 109.805 -179.754 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 82.5 m-20 -72.04 -15.73 62.04 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.344 -0.847 . . . . 0.0 110.239 -179.514 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . 0.429 ' OD1' ' OE1' ' A' ' 39' ' ' GLU . 41.4 t-20 -59.89 -50.11 75.05 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.093 -1.004 . . . . 0.0 110.677 -178.259 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . 0.429 ' OE1' ' OD1' ' A' ' 38' ' ' ASN . 0.6 OUTLIER -154.58 -14.85 0.12 Allowed 'General case' 0 N--CA 1.501 2.078 0 O-C-N 120.542 -1.349 . . . . 0.0 110.21 179.099 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.431 ' N ' HD12 ' A' ' 40' ' ' LEU . 11.1 mp -85.47 7.86 21.21 Favored 'General case' 0 N--CA 1.495 1.78 0 O-C-N 120.887 -1.133 . . . . 0.0 109.049 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 38.9 p -59.99 -39.94 87.46 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.291 -0.88 . . . . 0.0 109.53 179.905 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 46.7 t-80 -63.49 -42.14 98.55 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.227 -0.921 . . . . 0.0 110.085 -179.553 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . 0.502 ' CE1' ' OE1' ' B' ' 4' ' ' GLU . 4.4 m-85 -69.26 -46.89 66.17 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.161 -0.962 . . . . 0.0 110.245 -179.516 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 66.2 mt -116.63 130.06 56.52 Favored 'General case' 0 N--CA 1.499 1.993 0 O-C-N 121.488 -0.758 . . . . 0.0 109.68 -179.217 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.4 ' O ' ' CD ' ' A' ' 45' ' ' GLU . 11.4 tm-20 -150.91 10.55 0.62 Allowed 'General case' 0 N--CA 1.491 1.607 0 N-CA-C 108.777 -0.823 . . . . 0.0 108.777 -179.812 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -78.25 -10.03 59.48 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.084 -1.01 . . . . 0.0 109.526 -179.887 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 94.5 mt -73.85 127.6 35.78 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.393 0 C-N-CA 119.482 -0.887 . . . . 0.0 109.466 -179.728 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 41.2 tttp -136.35 -53.49 0.73 Allowed 'General case' 0 N--CA 1.494 1.764 0 O-C-N 121.547 -0.721 . . . . 0.0 109.194 -179.813 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 27.1 mp0 -93.29 148.52 21.97 Favored 'General case' 0 N--CA 1.497 1.924 0 O-C-N 121.066 -1.021 . . . . 0.0 109.619 179.423 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 3.1 mp0 -60.0 -32.01 70.46 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.373 -0.83 . . . . 0.0 109.641 -179.933 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -59.82 -37.46 79.26 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.336 -0.853 . . . . 0.0 109.505 -179.223 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 53.5 t -59.98 -40.32 82.72 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.515 0 O-C-N 121.156 -0.965 . . . . 0.0 109.186 -179.629 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 54.4 t -64.97 -41.22 91.54 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.606 0 O-C-N 121.024 -1.048 . . . . 0.0 109.226 179.277 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 8.4 t70 -60.41 -43.25 96.89 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.224 -0.923 . . . . 0.0 109.529 179.901 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 32.9 ttmt -59.95 -43.5 94.97 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.456 -0.778 . . . . 0.0 109.949 -179.757 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 53.8 t -66.01 -40.16 86.53 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.499 0 O-C-N 121.228 -0.92 . . . . 0.0 109.649 -179.419 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 3.7 ttt -63.6 -44.92 92.58 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.154 -0.966 . . . . 0.0 110.333 -179.675 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 38.4 mm-40 -61.81 -40.22 94.47 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 120.946 -1.096 . . . . 0.0 109.638 -179.835 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 94.4 m -70.07 -43.33 71.4 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.396 -0.815 . . . . 0.0 109.72 179.612 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 34.3 tp -62.52 -46.91 86.25 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.45 -0.781 . . . . 0.0 110.563 -179.391 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 95.8 m-20 -80.22 111.32 16.48 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.079 -1.013 . . . . 0.0 109.522 -179.297 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 26.0 mp0 -70.0 -39.79 75.68 Favored 'General case' 0 C--N 1.303 -1.445 0 O-C-N 121.565 -0.71 . . . . 0.0 109.902 -179.788 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . 0.402 ' OD1' ' N ' ' A' ' 63' ' ' ASP . 36.7 p-10 -86.99 -6.77 58.65 Favored 'General case' 0 N--CA 1.495 1.822 0 O-C-N 121.183 -0.948 . . . . 0.0 110.351 -179.306 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 56.89 43.15 92.66 Favored Glycine 0 N--CA 1.49 2.297 0 N-CA-C 109.797 -1.321 . . . . 0.0 109.797 179.619 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 33.3 p-10 -68.44 -20.33 64.63 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 120.962 -1.316 . . . . 0.0 109.385 -179.792 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 102.34 -11.84 56.91 Favored Glycine 0 N--CA 1.499 2.889 0 N-CA-C 110.422 -1.071 . . . . 0.0 110.422 179.391 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 20.8 pt-20 -141.44 155.44 45.86 Favored 'General case' 0 N--CA 1.497 1.891 0 O-C-N 120.979 -1.306 . . . . 0.0 109.358 179.715 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 98.1 m -102.15 123.85 46.72 Favored 'General case' 0 N--CA 1.499 2.007 0 O-C-N 121.322 -0.861 . . . . 0.0 109.942 -179.458 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 71.9 m-20 -96.68 175.82 6.24 Favored 'General case' 0 N--CA 1.496 1.837 0 O-C-N 121.476 -0.765 . . . . 0.0 109.663 -179.855 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 73.8 t80 -60.07 -41.45 92.44 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.313 -0.867 . . . . 0.0 110.365 -179.596 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 93.0 mt-30 -60.0 -42.02 93.33 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 120.753 -1.217 . . . . 0.0 109.788 179.805 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 76.9 mt-10 -68.8 -38.32 79.85 Favored 'General case' 0 C--N 1.302 -1.482 0 O-C-N 121.446 -0.784 . . . . 0.0 110.021 -179.601 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 64.4 t80 -60.0 -40.45 89.23 Favored 'General case' 0 N--CA 1.494 1.733 0 O-C-N 121.175 -0.953 . . . . 0.0 110.604 -179.474 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' MET . . . . . 0.523 ' SD ' ' O ' ' A' ' 74' ' ' MET . 0.0 OUTLIER -60.11 -40.6 90.24 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 120.833 -1.167 . . . . 0.0 108.524 -179.748 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -60.78 -38.6 85.84 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.429 -0.794 . . . . 0.0 109.985 179.29 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 66.0 t80 -60.01 -44.11 94.8 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.259 -0.901 . . . . 0.0 110.231 -179.168 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 61.4 t -60.01 -44.27 94.38 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.474 0 O-C-N 120.973 -1.079 . . . . 0.0 109.035 179.837 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 57.2 m -60.1 -39.96 87.98 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.366 -0.833 . . . . 0.0 110.395 -179.534 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 95.5 mtp -64.57 -40.01 94.79 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.203 -0.936 . . . . 0.0 109.92 -179.49 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 83.4 t -69.37 -41.77 80.96 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.499 0 O-C-N 121.214 -0.929 . . . . 0.0 109.408 -179.68 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . 0.424 ' O ' ' SG ' ' A' ' 84' ' ' CYS . 94.4 m -64.6 -42.74 95.37 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.243 -0.911 . . . . 0.0 109.474 -179.705 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 28.7 p -70.54 -38.75 74.23 Favored 'General case' 0 C--N 1.302 -1.484 0 O-C-N 121.214 -0.929 . . . . 0.0 109.385 179.541 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -68.04 -40.09 82.92 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.323 -0.86 . . . . 0.0 110.145 -179.814 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' CYS . . . . . 0.424 ' SG ' ' O ' ' A' ' 81' ' ' THR . 14.5 p -61.98 150.39 38.02 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.099 -1.001 . . . . 0.0 109.477 -179.773 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 16.3 m-70 -72.6 149.65 43.78 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.215 -0.928 . . . . 0.0 109.674 -179.606 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 92.1 mt-10 -67.58 -39.98 84.86 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.223 -0.923 . . . . 0.0 109.702 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 8.6 m-85 -92.65 100.47 12.97 Favored 'General case' 0 N--CA 1.496 1.844 0 O-C-N 121.206 -0.933 . . . . 0.0 110.57 -178.89 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 15.9 t80 -90.03 -80.05 0.33 Allowed 'General case' 0 N--CA 1.496 1.863 0 N-CA-C 108.17 -1.048 . . . . 0.0 108.17 178.543 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 84.2 tt0 -114.65 -73.37 0.66 Allowed 'General case' 0 N--CA 1.502 2.169 0 N-CA-C 107.699 -1.223 . . . . 0.0 107.699 178.141 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' HIS . . . . . 0.501 ' O ' ' CB ' ' A' ' 91' ' ' GLU . 21.2 m80 51.58 51.54 16.51 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.608 -0.683 . . . . 0.0 111.262 178.083 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . 0.501 ' CB ' ' O ' ' A' ' 90' ' ' HIS . 2.8 tm-20 . . . . . 0 N--CA 1.498 1.965 0 CA-C-O 117.973 -1.013 . . . . 0.0 109.603 179.18 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 0' ' ' MET . . . . . . . . . . . . . 21.9 ptt? . . . . . 0 N--CA 1.49 1.539 0 N-CA-C 109.319 -0.623 . . . . 0.0 109.319 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 32.6 t -83.94 169.78 14.68 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.31 -0.869 . . . . 0.0 109.515 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 62.4 mm-40 -60.04 -36.41 77.25 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.46 -0.775 . . . . 0.0 109.425 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 3' ' ' LEU . . . . . 0.503 HD13 ' O ' ' B' ' 3' ' ' LEU . 0.3 OUTLIER -59.62 -47.92 83.68 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.276 -0.89 . . . . 0.0 109.276 -179.267 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 4' ' ' GLU . . . . . 0.502 ' OE1' ' CE1' ' A' ' 43' ' ' PHE . 42.9 mm-40 -60.62 -42.35 96.69 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 120.858 -1.151 . . . . 0.0 109.673 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 55.6 mttp -68.93 -37.76 79.1 Favored 'General case' 0 N--CA 1.496 1.837 0 O-C-N 121.415 -0.803 . . . . 0.0 110.658 -179.83 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -59.37 -40.05 85.27 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.167 -0.958 . . . . 0.0 109.183 -179.132 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 7' ' ' MET . . . . . . . . . . . . . 36.5 tpp -59.97 -44.61 94.35 Favored 'General case' 0 C--N 1.301 -1.535 0 O-C-N 121.273 -0.892 . . . . 0.0 108.902 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 73.8 t -69.98 -39.92 78.01 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.667 0 O-C-N 121.463 -0.773 . . . . 0.0 110.099 179.899 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -47.87 -50.87 25.12 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.302 -0.874 . . . . 0.0 110.669 -178.237 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 10' ' ' LEU . . . . . 0.426 HD12 ' N ' ' B' ' 10' ' ' LEU . 9.5 mp -60.15 -43.12 96.02 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 120.979 -1.076 . . . . 0.0 109.838 -179.483 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 96.9 mt -69.95 -39.96 78.12 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.641 0 O-C-N 121.081 -1.012 . . . . 0.0 110.974 -179.027 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 37.9 t0 -65.18 -49.98 67.71 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 120.899 -1.126 . . . . 0.0 110.604 -178.766 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 67.5 t -67.16 -46.96 83.1 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.597 0 O-C-N 121.182 -0.949 . . . . 0.0 110.129 -178.804 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 14' ' ' PHE . . . . . . . . . . . . . 62.1 t80 -59.93 -49.63 76.94 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 120.995 -1.066 . . . . 0.0 110.338 -179.23 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 86.4 t60 -60.02 -47.81 84.31 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.226 -0.921 . . . . 0.0 110.849 -178.811 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 46.3 mt-30 -64.84 -53.9 39.51 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.027 -1.046 . . . . 0.0 111.381 -178.459 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 62.9 t80 -69.74 -40.93 75.88 Favored 'General case' 0 N--CA 1.496 1.84 0 O-C-N 120.961 -1.087 . . . . 0.0 111.275 -178.395 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 23.2 t -64.5 -39.93 94.71 Favored 'General case' 0 N--CA 1.495 1.775 0 O-C-N 121.039 -1.038 . . . . 0.0 111.573 -178.463 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -70.04 -14.24 70.66 Favored Glycine 0 N--CA 1.495 2.6 0 C-N-CA 119.833 -1.175 . . . . 0.0 110.828 -178.214 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 19.9 mmt180 -63.18 -39.98 96.2 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 120.795 -1.415 . . . . 0.0 110.046 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 77.3 mm-40 -113.72 129.29 56.6 Favored 'General case' 0 N--CA 1.5 2.029 0 O-C-N 121.514 -0.741 . . . . 0.0 109.823 -179.441 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . 84.8 -13.39 53.54 Favored Glycine 0 N--CA 1.494 2.531 0 N-CA-C 109.944 -1.262 . . . . 0.0 109.944 179.464 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 43.9 t0 50.01 40.04 20.32 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.235 -1.156 . . . . 0.0 109.79 -179.884 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 29.2 ttmt -160.18 -125.19 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.216 -0.927 . . . . 0.0 108.952 179.761 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 25' ' ' HIS . . . . . . . . . . . . . 97.9 m-70 -146.77 75.38 1.39 Allowed 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.042 -1.036 . . . . 0.0 109.307 179.927 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -145.31 147.65 32.56 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 121.47 -0.768 . . . . 0.0 109.377 179.46 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 46.8 mt -128.73 127.07 41.35 Favored 'General case' 0 N--CA 1.495 1.811 0 N-CA-C 108.515 -0.92 . . . . 0.0 108.515 179.573 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 28' ' ' LYS . . . . . 0.472 ' HG3' ' H ' ' B' ' 31' ' ' GLU . 0.1 OUTLIER -100.86 -176.71 3.25 Favored 'General case' 0 N--CA 1.498 1.938 0 O-C-N 121.327 -0.858 . . . . 0.0 109.078 179.582 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 1.8 mppt? -59.95 -49.73 76.55 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.284 -0.885 . . . . 0.0 110.553 -179.003 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 68.1 m -62.86 -43.57 98.46 Favored 'General case' 0 N--CA 1.495 1.808 0 O-C-N 121.097 -1.002 . . . . 0.0 110.852 -179.029 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 31' ' ' GLU . . . . . 0.472 ' H ' ' HG3' ' B' ' 28' ' ' LYS . 85.6 tt0 -64.41 -39.96 94.85 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.303 -0.873 . . . . 0.0 110.55 -179.018 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 63.5 tp -59.95 -49.43 77.7 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.2 -0.938 . . . . 0.0 109.362 -178.768 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 9.8 mtpm? -60.55 -40.36 91.31 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.097 -1.002 . . . . 0.0 109.835 179.804 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 72.7 mm-40 -65.56 -40.04 92.35 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.344 -0.847 . . . . 0.0 110.052 -179.69 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 35' ' ' LEU . . . . . 0.618 ' O ' HD23 ' B' ' 35' ' ' LEU . 2.8 tt -60.61 -46.16 91.3 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.052 -1.03 . . . . 0.0 109.096 -179.94 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 89.3 mt -60.03 -42.54 90.06 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.643 0 O-C-N 121.179 -0.951 . . . . 0.0 109.797 -179.746 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 82.6 m-20 -72.07 -15.47 62.02 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.359 -0.838 . . . . 0.0 110.281 -179.588 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 38' ' ' ASN . . . . . 0.415 ' OD1' ' OE1' ' B' ' 39' ' ' GLU . 41.2 t-20 -60.03 -50.03 75.32 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.204 -0.935 . . . . 0.0 110.696 -178.357 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 39' ' ' GLU . . . . . 0.415 ' OE1' ' OD1' ' B' ' 38' ' ' ASN . 0.7 OUTLIER -154.71 -14.97 0.12 Allowed 'General case' 0 N--CA 1.499 2.017 0 O-C-N 120.497 -1.377 . . . . 0.0 110.263 179.095 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 40' ' ' LEU . . . . . 0.415 HD12 ' N ' ' B' ' 40' ' ' LEU . 11.0 mp -85.31 7.66 21.47 Favored 'General case' 0 N--CA 1.495 1.795 0 O-C-N 120.911 -1.118 . . . . 0.0 109.053 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 28.0 p -59.94 -39.96 87.32 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.355 -0.841 . . . . 0.0 109.634 179.844 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 42' ' ' HIS . . . . . . . . . . . . . 47.0 t-80 -63.38 -42.53 98.84 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.245 -0.909 . . . . 0.0 110.037 -179.525 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 43' ' ' PHE . . . . . 0.483 ' CE1' ' OE1' ' A' ' 4' ' ' GLU . 4.4 m-85 -69.09 -46.67 67.17 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.199 -0.938 . . . . 0.0 110.14 -179.473 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 69.3 mt -116.62 129.89 56.42 Favored 'General case' 0 N--CA 1.499 1.982 0 O-C-N 121.487 -0.758 . . . . 0.0 109.717 -179.086 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 45' ' ' GLU . . . . . 0.4 ' O ' ' CD ' ' B' ' 45' ' ' GLU . 11.3 tm-20 -150.95 10.78 0.63 Allowed 'General case' 0 N--CA 1.492 1.65 0 N-CA-C 108.839 -0.8 . . . . 0.0 108.839 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -78.52 -10.04 59.57 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.021 -1.049 . . . . 0.0 109.594 -179.871 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 90.3 mt -73.54 127.36 35.39 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.459 0 O-C-N 121.165 -0.96 . . . . 0.0 109.331 -179.876 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 43.0 tttp -135.89 -53.7 0.76 Allowed 'General case' 0 N--CA 1.493 1.724 0 N-CA-C 109.041 -0.725 . . . . 0.0 109.041 -179.788 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 27.2 mp0 -93.45 148.93 21.63 Favored 'General case' 0 N--CA 1.498 1.971 0 O-C-N 121.237 -0.914 . . . . 0.0 109.718 179.564 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 3.2 mp0 -60.01 -32.17 70.62 Favored 'General case' 0 N--CA 1.494 1.768 0 O-C-N 121.393 -0.817 . . . . 0.0 109.631 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -60.06 -37.09 78.83 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.296 -0.878 . . . . 0.0 109.521 -179.337 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 58.1 t -60.03 -40.86 84.4 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.493 0 O-C-N 121.219 -0.925 . . . . 0.0 109.242 -179.889 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 54.4 t -64.83 -41.39 92.05 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.587 0 O-C-N 121.004 -1.06 . . . . 0.0 109.046 179.756 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 8.4 t70 -60.18 -42.75 95.68 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.22 -0.925 . . . . 0.0 109.594 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 33.2 ttmt -60.68 -42.92 98.08 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.3 -0.875 . . . . 0.0 109.821 -179.79 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 77.5 t -66.3 -40.11 85.94 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.479 0 O-C-N 121.23 -0.918 . . . . 0.0 109.62 -179.537 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 57' ' ' MET . . . . . . . . . . . . . 3.8 ttt -63.71 -44.54 93.3 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.146 -0.971 . . . . 0.0 110.344 -179.43 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 38.2 mm-40 -62.2 -40.18 95.22 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 120.994 -1.066 . . . . 0.0 109.603 -179.882 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 94.2 m -70.01 -43.33 71.59 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.31 -0.869 . . . . 0.0 109.753 179.625 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 35.7 tp -62.46 -47.08 85.6 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.51 -0.744 . . . . 0.0 110.595 -179.454 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 95.5 m-20 -80.07 111.22 16.21 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.096 -1.002 . . . . 0.0 109.598 -179.348 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 25.9 mp0 -69.97 -39.96 75.66 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.566 -0.709 . . . . 0.0 109.86 -179.694 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 37.3 p-10 -86.71 -7.04 58.64 Favored 'General case' 0 N--CA 1.495 1.792 0 O-C-N 121.278 -0.889 . . . . 0.0 110.341 -179.483 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 57.01 42.96 93.24 Favored Glycine 0 N--CA 1.49 2.282 0 N-CA-C 109.872 -1.291 . . . . 0.0 109.872 179.623 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 33.7 p-10 -68.38 -20.33 64.68 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.0 -1.294 . . . . 0.0 109.295 -179.762 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 102.3 -11.39 56.91 Favored Glycine 0 N--CA 1.498 2.827 0 N-CA-C 110.507 -1.037 . . . . 0.0 110.507 179.281 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 20.7 pt-20 -141.59 155.05 45.78 Favored 'General case' 0 N--CA 1.497 1.891 0 O-C-N 121.081 -1.247 . . . . 0.0 109.266 179.663 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 68' ' ' CYS . . . . . . . . . . . . . 83.5 m -101.83 124.06 46.83 Favored 'General case' 0 N--CA 1.5 2.043 0 O-C-N 121.31 -0.869 . . . . 0.0 109.934 -179.509 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 73.0 m-20 -96.71 175.64 6.3 Favored 'General case' 0 N--CA 1.495 1.802 0 O-C-N 121.551 -0.718 . . . . 0.0 109.607 -179.891 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 71.3 t80 -60.03 -41.09 91.5 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.362 -0.836 . . . . 0.0 110.3 -179.571 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 90.1 mt-30 -60.02 -42.5 94.47 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 120.941 -1.099 . . . . 0.0 109.724 179.904 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 76.1 mt-10 -68.7 -38.02 79.98 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.311 -0.868 . . . . 0.0 109.99 -179.671 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 73' ' ' PHE . . . . . . . . . . . . . 64.7 t80 -60.03 -40.38 89.13 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.097 -1.002 . . . . 0.0 110.639 -179.358 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 74' ' ' MET . . . . . 0.515 ' SD ' ' O ' ' B' ' 74' ' ' MET . 0.0 OUTLIER -60.04 -40.69 90.25 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 120.923 -1.11 . . . . 0.0 108.501 -179.823 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -60.85 -38.8 86.75 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.485 -0.759 . . . . 0.0 110.015 179.415 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 64.7 t80 -59.97 -43.88 94.82 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.294 -0.878 . . . . 0.0 110.237 -179.168 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 77' ' ' VAL . . . . . . . . . . . . . 53.4 t -60.07 -44.57 95.21 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.511 0 O-C-N 121.033 -1.042 . . . . 0.0 109.043 179.746 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 78' ' ' SER . . . . . 0.431 ' OG ' ' SD ' ' A' ' 74' ' ' MET . 52.3 m -59.97 -40.07 87.82 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.481 -0.762 . . . . 0.0 110.371 -179.449 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 79' ' ' MET . . . . . . . . . . . . . 96.6 mtp -64.28 -40.05 95.17 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.094 -1.004 . . . . 0.0 109.932 -179.395 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 73.8 t -69.43 -41.68 80.78 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.413 0 O-C-N 121.229 -0.92 . . . . 0.0 109.482 -179.773 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 81' ' ' THR . . . . . 0.436 ' O ' ' SG ' ' B' ' 84' ' ' CYS . 94.7 m -64.48 -42.9 95.61 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.229 -0.92 . . . . 0.0 109.6 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 20.2 p -70.38 -39.11 74.75 Favored 'General case' 0 C--N 1.302 -1.49 0 O-C-N 121.176 -0.953 . . . . 0.0 109.363 179.432 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -67.72 -39.98 84.27 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.415 -0.803 . . . . 0.0 110.259 -179.605 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 84' ' ' CYS . . . . . 0.436 ' SG ' ' O ' ' B' ' 81' ' ' THR . 14.7 p -62.24 150.33 39.37 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 120.943 -1.098 . . . . 0.0 109.431 -179.904 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 85' ' ' HIS . . . . . . . . . . . . . 16.3 m-70 -72.36 149.98 43.87 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.209 -0.932 . . . . 0.0 109.622 -179.648 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 92.2 mt-10 -67.92 -40.05 83.42 Favored 'General case' 0 N--CA 1.488 1.454 0 O-C-N 121.305 -0.872 . . . . 0.0 109.698 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 87' ' ' PHE . . . . . . . . . . . . . 7.9 m-85 -92.6 100.53 13.03 Favored 'General case' 0 N--CA 1.496 1.853 0 O-C-N 121.199 -0.938 . . . . 0.0 110.468 -178.874 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 15.9 t80 -89.95 -80.02 0.32 Allowed 'General case' 0 N--CA 1.496 1.848 0 N-CA-C 108.167 -1.049 . . . . 0.0 108.167 178.535 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 86.9 tt0 -114.9 -72.24 0.7 Allowed 'General case' 0 N--CA 1.502 2.136 0 N-CA-C 107.744 -1.206 . . . . 0.0 107.744 178.289 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 90' ' ' HIS . . . . . 0.489 ' O ' ' CB ' ' B' ' 91' ' ' GLU . 24.2 m80 50.55 50.86 18.04 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.537 -0.727 . . . . 0.0 111.515 178.107 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 91' ' ' GLU . . . . . 0.489 ' CB ' ' O ' ' B' ' 90' ' ' HIS . 3.0 tm-20 . . . . . 0 N--CA 1.498 1.968 0 CA-C-O 117.903 -1.046 . . . . 0.0 109.742 179.202 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 92' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 93' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 96.9 mtp . . . . . 0 N--CA 1.489 1.522 0 N-CA-C 109.452 -0.573 . . . . 0.0 109.452 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 1.9 t -76.56 0.71 19.04 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.214 -0.929 . . . . 0.0 109.159 179.908 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 95.4 mt-10 -60.08 -31.2 69.79 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.206 -0.934 . . . . 0.0 109.144 179.835 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 65.1 tp -60.0 -48.61 81.0 Favored 'General case' 0 N--CA 1.488 1.455 0 O-C-N 121.205 -0.934 . . . . 0.0 109.074 -179.674 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 85.6 tt0 -60.12 -40.42 89.67 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.153 -0.967 . . . . 0.0 109.091 179.664 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 17.2 mtpp -67.07 -36.25 81.6 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.556 -0.715 . . . . 0.0 109.725 -179.935 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -59.97 -43.33 95.14 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.386 -0.821 . . . . 0.0 109.981 -178.745 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 57.1 mtt -60.06 -42.95 95.62 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 120.827 -1.171 . . . . 0.0 108.962 179.503 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 53.9 t -69.95 -40.09 78.26 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.45 0 O-C-N 121.353 -0.842 . . . . 0.0 109.131 179.335 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.01 -43.78 94.99 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.475 -0.766 . . . . 0.0 110.631 -179.301 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 1.2 mt -60.02 -49.73 76.5 Favored 'General case' 0 N--CA 1.494 1.746 0 O-C-N 121.053 -1.029 . . . . 0.0 109.46 -179.52 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 96.7 mt -60.58 -45.63 96.9 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.486 0 O-C-N 121.131 -0.981 . . . . 0.0 109.958 -179.907 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 95.9 m-20 -61.28 -41.38 96.85 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.363 -0.836 . . . . 0.0 110.709 -178.538 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 53.8 t -70.02 -46.21 73.82 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.736 0 O-C-N 120.871 -1.143 . . . . 0.0 110.128 -179.115 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 65.3 t80 -60.03 -41.24 91.79 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.144 -0.972 . . . . 0.0 110.173 -179.481 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 52.4 t-80 -60.75 -46.35 90.79 Favored 'General case' 0 C--N 1.3 -1.552 0 O-C-N 121.353 -0.842 . . . . 0.0 110.956 -179.278 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 74.1 mt-30 -60.93 -50.76 72.1 Favored 'General case' 0 N--CA 1.495 1.818 0 O-C-N 120.987 -1.071 . . . . 0.0 111.143 -178.639 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 63.8 m-85 -71.0 -37.59 72.68 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 121.006 -1.059 . . . . 0.0 110.309 -179.721 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 72.0 m -60.08 -41.19 91.93 Favored 'General case' 0 C--N 1.299 -1.6 0 O-C-N 121.122 -0.986 . . . . 0.0 110.142 -178.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -75.47 19.73 2.37 Favored Glycine 0 N--CA 1.493 2.474 0 C-N-CA 120.085 -1.055 . . . . 0.0 110.602 -179.386 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.43 ' NH1' ' OE1' ' A' ' 34' ' ' GLU . 66.9 ttt180 -59.99 -44.96 94.17 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.11 -1.23 . . . . 0.0 110.412 -179.676 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.433 ' O ' ' C ' ' A' ' 22' ' ' GLY . 82.0 tt0 -164.97 114.4 1.09 Allowed 'General case' 0 N--CA 1.493 1.71 0 O-C-N 120.682 -1.261 . . . . 0.0 111.241 -179.551 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . 0.433 ' C ' ' O ' ' A' ' 21' ' ' GLU . . . 32.64 41.54 0.11 Allowed Glycine 0 N--CA 1.502 3.066 0 N-CA-C 111.872 -0.491 . . . . 0.0 111.872 178.291 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . 0.405 ' OD2' ' O ' ' A' ' 21' ' ' GLU . 34.0 m-20 -144.45 84.16 1.74 Allowed 'General case' 0 N--CA 1.5 2.05 0 O-C-N 121.004 -1.291 . . . . 0.0 109.498 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 2.9 mmmm -92.54 -41.53 10.19 Favored 'General case' 0 N--CA 1.497 1.899 0 O-C-N 120.798 -1.189 . . . . 0.0 110.708 -179.068 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . 0.428 ' H ' ' CD2' ' A' ' 25' ' ' HIS . 8.8 p80 -111.94 17.07 20.03 Favored 'General case' 0 N--CA 1.503 2.206 0 O-C-N 121.229 -0.919 . . . . 0.0 111.162 -178.26 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 63.0 mttm -140.51 144.94 36.26 Favored 'General case' 0 N--CA 1.498 1.93 0 O-C-N 121.025 -1.047 . . . . 0.0 109.006 178.546 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 2.3 tp -124.89 129.37 50.26 Favored 'General case' 0 N--CA 1.498 1.936 0 N-CA-C 108.272 -1.01 . . . . 0.0 108.272 -179.936 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.409 ' H ' ' HG2' ' A' ' 28' ' ' LYS . 46.4 pttt -110.52 -177.22 3.18 Favored 'General case' 0 N--CA 1.5 2.038 0 CA-C-O 121.82 0.819 . . . . 0.0 111.131 -178.476 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 34.0 mtmt -60.01 -40.04 87.89 Favored 'General case' 0 N--CA 1.496 1.846 0 N-CA-C 112.707 0.632 . . . . 0.0 112.707 -178.115 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 73.1 m -60.06 -42.16 93.89 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 120.7 -1.25 . . . . 0.0 110.525 -177.693 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 -72.58 -39.81 67.09 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.127 -0.983 . . . . 0.0 110.745 179.738 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 53.4 tp -59.97 -41.07 91.17 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.2 -0.938 . . . . 0.0 109.164 -179.134 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 78.8 tttt -61.91 -40.73 96.46 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.678 -0.639 . . . . 0.0 110.958 -179.803 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . 0.43 ' OE1' ' NH1' ' A' ' 20' ' ' ARG . 81.5 tt0 -66.11 -39.98 90.36 Favored 'General case' 0 N--CA 1.495 1.787 0 O-C-N 120.884 -1.135 . . . . 0.0 111.233 -178.544 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 16.0 mt -66.72 -39.97 88.22 Favored 'General case' 0 N--CA 1.495 1.822 0 O-C-N 120.909 -1.12 . . . . 0.0 110.839 -179.154 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 89.1 mt -66.27 -39.88 85.39 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.643 0 O-C-N 120.912 -1.118 . . . . 0.0 110.755 -178.764 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 10.0 t-20 -79.05 -19.57 51.03 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.099 -1.001 . . . . 0.0 110.7 -179.351 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 48.5 t-20 -65.94 -59.85 3.42 Favored 'General case' 0 N--CA 1.494 1.745 0 O-C-N 120.994 -1.066 . . . . 0.0 111.538 -178.186 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 1.5 pm0 -149.54 22.57 0.91 Allowed 'General case' 0 N--CA 1.502 2.166 0 O-C-N 120.514 -1.366 . . . . 0.0 111.327 -179.323 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 5.1 mt -127.74 16.26 6.93 Favored 'General case' 0 N--CA 1.505 2.287 0 O-C-N 121.097 -1.002 . . . . 0.0 109.732 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 84.1 p -69.97 -36.15 75.0 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.041 -1.037 . . . . 0.0 110.109 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 16.8 m170 -61.36 -40.06 92.93 Favored 'General case' 0 N--CA 1.495 1.79 0 O-C-N 121.05 -1.031 . . . . 0.0 111.189 -178.885 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 41.8 m-85 -61.62 -47.12 86.87 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 120.847 -1.158 . . . . 0.0 110.426 -178.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 92.8 mt -93.86 -71.85 0.64 Allowed 'General case' 0 N--CA 1.495 1.819 0 O-C-N 121.043 -1.036 . . . . 0.0 109.817 -179.743 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 1.4 tm-20 63.74 3.78 1.67 Allowed 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.243 -0.911 . . . . 0.0 109.127 -179.668 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 2.6 tm-20 -94.25 -1.45 53.98 Favored 'General case' 0 N--CA 1.495 1.823 0 O-C-N 121.303 -0.873 . . . . 0.0 109.046 179.865 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 7.7 mm -79.4 129.61 37.32 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.536 0 O-C-N 121.07 -1.019 . . . . 0.0 109.702 -179.544 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 4.7 tmtm? -153.56 -39.57 0.1 Allowed 'General case' 0 N--CA 1.49 1.566 0 N-CA-C 108.543 -0.91 . . . . 0.0 108.543 179.737 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -108.16 144.86 35.01 Favored 'General case' 0 N--CA 1.497 1.922 0 O-C-N 121.477 -0.764 . . . . 0.0 110.02 -179.645 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 96.1 mm-40 -67.96 -28.91 67.86 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 121.397 -0.814 . . . . 0.0 110.091 -179.794 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 41.0 tt0 -60.01 -39.98 87.66 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.169 -0.957 . . . . 0.0 109.72 -179.194 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 53.7 t -59.95 -41.47 86.14 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.652 0 O-C-N 121.242 -0.911 . . . . 0.0 110.118 -179.085 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 53.1 t -60.91 -40.84 86.66 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.722 0 O-C-N 120.852 -1.155 . . . . 0.0 109.542 -179.754 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 79.2 m-20 -62.28 -41.6 98.62 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.318 -0.864 . . . . 0.0 110.27 -179.176 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 76.9 tttt -63.42 -40.08 96.23 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.417 -0.802 . . . . 0.0 110.47 -179.302 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 69.5 t -61.65 -40.76 87.82 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.606 0 O-C-N 121.201 -0.937 . . . . 0.0 110.245 -179.157 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . 0.458 ' SD ' ' SG ' ' A' ' 68' ' ' CYS . 90.2 mmm -63.2 -40.09 96.49 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.278 -0.889 . . . . 0.0 110.897 -178.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 4.5 tm-20 -67.37 -39.96 85.72 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.102 -0.998 . . . . 0.0 110.437 -178.877 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 96.1 m -68.35 -39.95 81.68 Favored 'General case' 0 N--CA 1.495 1.81 0 O-C-N 121.172 -0.955 . . . . 0.0 110.956 -179.504 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 15.8 tp -67.53 -20.22 65.39 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.183 -0.948 . . . . 0.0 109.542 -178.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . 0.485 ' CG ' ' H ' ' A' ' 66' ' ' GLY . 36.7 t70 -73.99 81.58 1.7 Allowed 'General case' 0 N--CA 1.494 1.732 0 O-C-N 121.165 -0.959 . . . . 0.0 111.39 -178.801 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 85.5 mt-10 -87.69 -23.03 24.31 Favored 'General case' 0 N--CA 1.496 1.861 0 O-C-N 121.167 -0.958 . . . . 0.0 109.056 178.272 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . 0.457 ' OD1' ' N ' ' A' ' 63' ' ' ASP . 28.6 p-10 -82.32 -2.84 54.02 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.214 -0.929 . . . . 0.0 110.122 -179.323 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 69.65 31.13 70.51 Favored Glycine 0 N--CA 1.493 2.496 0 N-CA-C 110.196 -1.162 . . . . 0.0 110.196 179.071 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 9.7 t70 -94.44 -36.72 11.77 Favored 'General case' 0 N--CA 1.495 1.803 0 O-C-N 121.125 -1.22 . . . . 0.0 110.18 -179.506 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . 0.485 ' H ' ' CG ' ' A' ' 61' ' ' ASP . . . 90.27 -2.74 81.57 Favored Glycine 0 N--CA 1.499 2.888 0 O-C-N 120.972 -1.08 . . . . 0.0 110.916 179.298 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 61.9 mm-40 -134.1 157.72 45.45 Favored 'General case' 0 N--CA 1.5 2.066 0 O-C-N 121.086 -1.244 . . . . 0.0 108.413 179.489 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' CYS . . . . . 0.458 ' SG ' ' SD ' ' A' ' 57' ' ' MET . 55.8 m -92.06 107.38 19.17 Favored 'General case' 0 N--CA 1.496 1.833 0 O-C-N 120.911 -1.118 . . . . 0.0 109.821 -179.53 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 95.2 m-20 -89.32 168.34 12.33 Favored 'General case' 0 N--CA 1.495 1.823 0 O-C-N 121.036 -1.04 . . . . 0.0 109.382 179.657 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 70.3 t80 -59.96 -40.0 87.53 Favored 'General case' 0 C--N 1.301 -1.506 0 O-C-N 121.412 -0.805 . . . . 0.0 109.505 -179.793 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 51.9 tt0 -60.02 -49.69 76.69 Favored 'General case' 0 N--CA 1.494 1.751 0 O-C-N 121.247 -0.908 . . . . 0.0 110.87 -178.906 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -69.98 -26.81 64.26 Favored 'General case' 0 N--CA 1.498 1.946 0 O-C-N 120.811 -1.181 . . . . 0.0 109.026 -179.823 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 47.1 t80 -60.04 -46.9 88.01 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.376 -0.827 . . . . 0.0 109.703 -179.006 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 97.1 mmm -59.99 -39.19 84.9 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.177 -0.952 . . . . 0.0 108.918 179.759 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -59.66 -36.31 76.16 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.416 -0.802 . . . . 0.0 109.685 -179.686 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 84.0 t80 -60.07 -41.63 92.8 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 120.941 -1.1 . . . . 0.0 109.329 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 54.2 t -60.0 -40.98 84.66 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.545 0 O-C-N 121.055 -1.028 . . . . 0.0 108.693 179.29 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 37.5 t -63.63 -46.16 86.94 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.401 -0.812 . . . . 0.0 110.009 -179.902 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 95.7 mtp -60.23 -40.28 89.67 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.118 -0.989 . . . . 0.0 109.756 -179.504 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 54.7 t -69.25 -39.99 79.8 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.472 0 O-C-N 121.258 -0.901 . . . . 0.0 109.173 179.852 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 15.8 m -65.12 -43.94 90.35 Favored 'General case' 0 C--N 1.303 -1.44 0 O-C-N 121.312 -0.867 . . . . 0.0 109.587 -179.562 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 63.4 p -70.48 -39.98 73.9 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.199 -0.938 . . . . 0.0 109.992 -179.932 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -59.98 -47.66 84.9 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.134 -0.979 . . . . 0.0 109.501 -179.709 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' CYS . . . . . 0.444 ' SG ' ' O ' ' A' ' 84' ' ' CYS . 26.3 p -80.79 110.88 16.72 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.272 -0.893 . . . . 0.0 109.439 179.924 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' HIS . . . . . 0.441 ' ND1' ' N ' ' A' ' 85' ' ' HIS . 11.7 p-80 -121.52 28.43 7.72 Favored 'General case' 0 N--CA 1.498 1.928 0 O-C-N 121.645 -0.66 . . . . 0.0 109.364 -179.942 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . 0.572 ' O ' ' CD1' ' A' ' 87' ' ' PHE . 86.2 tt0 -70.01 -26.12 63.91 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.36 -0.838 . . . . 0.0 109.962 -179.8 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' PHE . . . . . 0.602 ' O ' ' CD2' ' A' ' 87' ' ' PHE . 28.2 p90 45.26 104.73 0.0 OUTLIER 'General case' 0 N--CA 1.499 2.007 0 CA-C-O 121.979 0.895 . . . . 0.0 110.286 -178.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 96.0 m-85 -82.77 122.39 28.13 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 120.785 -1.197 . . . . 0.0 108.725 179.908 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 49.3 tp10 -97.69 104.48 16.51 Favored 'General case' 0 N--CA 1.496 1.844 0 O-C-N 121.138 -0.976 . . . . 0.0 109.098 -179.826 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 45.1 m80 -73.67 149.85 41.67 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.234 -0.917 . . . . 0.0 109.07 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 . . . . . 0 N--CA 1.491 1.583 0 CA-C-O 118.031 -0.985 . . . . 0.0 109.525 -179.958 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 0' ' ' MET . . . . . . . . . . . . . 96.0 mtp . . . . . 0 N--CA 1.49 1.536 0 N-CA-C 109.363 -0.606 . . . . 0.0 109.363 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 1.5 t -76.81 0.89 19.02 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.204 -0.935 . . . . 0.0 109.278 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 95.3 mt-10 -59.95 -31.36 69.8 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.332 -0.855 . . . . 0.0 109.086 179.622 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 67.4 tp -59.91 -48.68 80.71 Favored 'General case' 0 N--CA 1.488 1.445 0 O-C-N 121.386 -0.821 . . . . 0.0 109.108 -179.657 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 85.4 tt0 -60.05 -40.24 88.74 Favored 'General case' 0 C--N 1.302 -1.457 0 O-C-N 121.168 -0.958 . . . . 0.0 109.2 179.514 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 16.8 mtpp -67.28 -36.16 80.98 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.483 -0.76 . . . . 0.0 109.721 -179.936 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -60.0 -43.42 95.2 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.286 -0.884 . . . . 0.0 109.982 -178.813 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 7' ' ' MET . . . . . . . . . . . . . 57.8 mtt -59.97 -43.03 95.33 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 120.822 -1.174 . . . . 0.0 108.897 179.56 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 54.2 t -69.98 -40.05 78.16 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.46 0 O-C-N 121.306 -0.871 . . . . 0.0 109.06 179.457 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.06 -43.87 95.12 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.494 -0.754 . . . . 0.0 110.693 -179.212 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 1.5 mt -60.07 -49.72 76.56 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.0 -1.063 . . . . 0.0 109.505 -179.606 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 96.9 mt -60.45 -45.8 96.25 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.509 0 O-C-N 121.098 -1.001 . . . . 0.0 109.866 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 95.9 m-20 -61.33 -41.13 96.51 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.297 -0.877 . . . . 0.0 110.751 -178.568 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 54.1 t -70.04 -46.44 72.92 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.733 0 O-C-N 120.995 -1.065 . . . . 0.0 110.16 -179.209 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 14' ' ' PHE . . . . . . . . . . . . . 64.7 t80 -59.98 -41.07 91.21 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.256 -0.902 . . . . 0.0 110.165 -179.619 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 52.5 t-80 -60.75 -46.81 89.01 Favored 'General case' 0 C--N 1.301 -1.533 0 O-C-N 121.309 -0.869 . . . . 0.0 110.838 -179.227 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 74.3 mt-30 -60.32 -51.11 70.94 Favored 'General case' 0 N--CA 1.494 1.74 0 O-C-N 120.867 -1.146 . . . . 0.0 111.257 -178.724 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 65.0 m-85 -70.81 -37.57 73.26 Favored 'General case' 0 N--CA 1.494 1.743 0 O-C-N 120.942 -1.099 . . . . 0.0 110.432 -179.797 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 18' ' ' SER . . . . . 0.497 ' O ' ' O ' ' B' ' 23' ' ' ASP . 75.0 m -60.03 -41.43 92.22 Favored 'General case' 0 C--N 1.301 -1.508 0 O-C-N 121.153 -0.967 . . . . 0.0 110.082 -178.772 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -75.23 19.55 2.27 Favored Glycine 0 N--CA 1.494 2.526 0 O-C-N 120.997 -1.064 . . . . 0.0 110.647 -179.404 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 20' ' ' ARG . . . . . 0.444 ' NH1' ' OE1' ' B' ' 34' ' ' GLU . 66.7 ttt180 -59.96 -45.2 93.45 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.074 -1.25 . . . . 0.0 110.268 -179.723 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 21' ' ' GLU . . . . . 0.427 ' O ' ' C ' ' B' ' 22' ' ' GLY . 80.6 tt0 -164.58 114.44 1.17 Allowed 'General case' 0 N--CA 1.494 1.761 0 O-C-N 120.631 -1.293 . . . . 0.0 111.379 -179.628 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 22' ' ' GLY . . . . . 0.427 ' C ' ' O ' ' B' ' 21' ' ' GLU . . . 32.85 40.98 0.1 OUTLIER Glycine 0 N--CA 1.501 3.016 0 N-CA-C 111.886 -0.485 . . . . 0.0 111.886 178.247 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 23' ' ' ASP . . . . . 0.497 ' O ' ' O ' ' B' ' 18' ' ' SER . 35.4 m-20 -144.07 85.38 1.8 Allowed 'General case' 0 N--CA 1.499 1.993 0 O-C-N 120.892 -1.357 . . . . 0.0 109.265 179.875 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 4.2 mmmm -93.15 -41.58 9.85 Favored 'General case' 0 N--CA 1.495 1.801 0 O-C-N 120.864 -1.147 . . . . 0.0 110.462 -179.02 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 25' ' ' HIS . . . . . 0.424 ' CD2' ' H ' ' B' ' 25' ' ' HIS . 9.1 p80 -111.69 16.34 20.6 Favored 'General case' 0 N--CA 1.502 2.148 0 O-C-N 121.342 -0.849 . . . . 0.0 111.399 -178.062 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 61.1 mttm -139.98 144.89 37.23 Favored 'General case' 0 N--CA 1.498 1.951 0 O-C-N 121.164 -0.96 . . . . 0.0 109.038 178.521 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 2.0 tp -124.51 129.62 50.95 Favored 'General case' 0 N--CA 1.498 1.963 0 N-CA-C 108.216 -1.031 . . . . 0.0 108.216 179.898 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 43.8 pttt -110.4 -177.37 3.22 Favored 'General case' 0 N--CA 1.501 2.124 0 CA-C-O 121.97 0.891 . . . . 0.0 111.065 -178.747 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 37.3 mtmt -59.95 -40.07 87.73 Favored 'General case' 0 N--CA 1.496 1.873 0 N-CA-C 112.695 0.628 . . . . 0.0 112.695 -178.173 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 70.3 m -60.02 -41.53 92.4 Favored 'General case' 0 N--CA 1.496 1.83 0 O-C-N 120.662 -1.274 . . . . 0.0 110.558 -177.686 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 40.9 mt-10 -72.93 -39.99 65.81 Favored 'General case' 0 C--N 1.299 -1.611 0 O-C-N 121.094 -1.003 . . . . 0.0 110.68 179.925 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 54.2 tp -60.06 -40.74 90.5 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.264 -0.897 . . . . 0.0 109.211 -179.279 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 77.7 tttt -62.14 -40.96 97.7 Favored 'General case' 0 C--N 1.298 -1.654 0 O-C-N 121.569 -0.707 . . . . 0.0 110.844 -179.61 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 34' ' ' GLU . . . . . 0.444 ' OE1' ' NH1' ' B' ' 20' ' ' ARG . 80.9 tt0 -65.85 -40.01 91.3 Favored 'General case' 0 N--CA 1.496 1.863 0 O-C-N 121.089 -1.007 . . . . 0.0 111.285 -178.474 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 16.7 mt -66.73 -40.01 88.21 Favored 'General case' 0 N--CA 1.496 1.868 0 O-C-N 120.899 -1.126 . . . . 0.0 110.749 -179.126 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 91.7 mt -66.14 -39.94 85.73 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.679 0 O-C-N 120.885 -1.134 . . . . 0.0 110.757 -178.762 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 9.9 t-20 -79.07 -19.6 50.91 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.037 -1.039 . . . . 0.0 110.695 -179.284 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 48.3 t-20 -65.91 -60.01 3.28 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 120.983 -1.073 . . . . 0.0 111.56 -178.207 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 1.5 pm0 -149.26 22.65 0.94 Allowed 'General case' 0 N--CA 1.502 2.15 0 O-C-N 120.51 -1.369 . . . . 0.0 111.297 -179.416 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 5.1 mt -127.77 16.3 6.91 Favored 'General case' 0 N--CA 1.506 2.343 0 O-C-N 121.032 -1.042 . . . . 0.0 109.676 -179.929 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 80.5 p -70.03 -36.13 74.82 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 120.961 -1.087 . . . . 0.0 110.175 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 42' ' ' HIS . . . . . . . . . . . . . 16.8 m170 -61.27 -40.2 93.23 Favored 'General case' 0 N--CA 1.497 1.882 0 O-C-N 121.113 -0.992 . . . . 0.0 111.144 -178.899 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 42.1 m-85 -61.64 -47.18 86.54 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 120.832 -1.168 . . . . 0.0 110.416 -178.887 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 90.1 mt -93.66 -72.02 0.63 Allowed 'General case' 0 N--CA 1.495 1.819 0 O-C-N 121.005 -1.059 . . . . 0.0 109.803 -179.887 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 1.4 tm-20 63.93 3.83 1.78 Allowed 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.278 -0.889 . . . . 0.0 109.12 -179.653 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 2.6 tm-20 -94.38 -1.37 53.84 Favored 'General case' 0 N--CA 1.496 1.835 0 O-C-N 121.349 -0.845 . . . . 0.0 109.07 179.907 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 7.1 mm -79.49 129.6 37.32 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.572 0 O-C-N 121.14 -0.975 . . . . 0.0 109.686 -179.507 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 4.5 tmtm? -153.57 -39.41 0.1 Allowed 'General case' 0 N--CA 1.49 1.551 0 N-CA-C 108.64 -0.874 . . . . 0.0 108.64 179.686 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -108.28 144.91 35.13 Favored 'General case' 0 N--CA 1.499 1.987 0 O-C-N 121.499 -0.75 . . . . 0.0 109.961 -179.735 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 96.6 mm-40 -67.99 -28.93 67.85 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.438 -0.789 . . . . 0.0 109.92 -179.73 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 41.3 tt0 -59.97 -39.98 87.53 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.19 -0.944 . . . . 0.0 109.756 -179.202 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 54.3 t -59.89 -41.61 86.46 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.613 0 O-C-N 121.234 -0.916 . . . . 0.0 110.178 -179.072 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 53.8 t -60.8 -40.88 86.52 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.728 0 O-C-N 120.901 -1.124 . . . . 0.0 109.589 -179.686 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 80.0 m-20 -62.24 -41.33 98.33 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.248 -0.908 . . . . 0.0 110.3 -179.159 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 74.4 tttt -63.66 -40.07 95.91 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.398 -0.814 . . . . 0.0 110.311 -179.24 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 76.6 t -61.64 -41.06 88.88 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.524 0 O-C-N 121.216 -0.928 . . . . 0.0 110.212 -179.042 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 57' ' ' MET . . . . . 0.481 ' SD ' ' SG ' ' B' ' 68' ' ' CYS . 88.1 mmm -62.89 -40.01 96.22 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.277 -0.889 . . . . 0.0 110.972 -179.063 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 4.5 tm-20 -67.64 -39.99 84.62 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.146 -0.971 . . . . 0.0 110.413 -178.747 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 98.9 m -68.06 -40.01 82.86 Favored 'General case' 0 N--CA 1.495 1.811 0 O-C-N 121.137 -0.977 . . . . 0.0 110.943 -179.733 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 15.3 tp -67.89 -19.78 65.04 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.184 -0.948 . . . . 0.0 109.572 -178.838 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 61' ' ' ASP . . . . . 0.476 ' CG ' ' H ' ' B' ' 66' ' ' GLY . 36.4 t70 -74.29 81.61 1.86 Allowed 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.217 -0.927 . . . . 0.0 111.341 -178.853 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 86.8 mt-10 -87.81 -23.2 24.11 Favored 'General case' 0 N--CA 1.497 1.891 0 O-C-N 121.111 -0.993 . . . . 0.0 109.002 178.323 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 63' ' ' ASP . . . . . 0.438 ' N ' ' OD1' ' B' ' 63' ' ' ASP . 29.1 p-10 -82.08 -2.24 51.22 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.278 -0.889 . . . . 0.0 110.187 -179.526 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 68.68 31.83 73.77 Favored Glycine 0 N--CA 1.494 2.559 0 C-N-CA 119.943 -1.123 . . . . 0.0 110.32 179.205 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 9.6 t70 -94.78 -36.68 11.59 Favored 'General case' 0 N--CA 1.497 1.876 0 O-C-N 121.151 -1.205 . . . . 0.0 110.04 -179.583 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 66' ' ' GLY . . . . . 0.476 ' H ' ' CG ' ' B' ' 61' ' ' ASP . . . 90.24 -2.27 80.96 Favored Glycine 0 N--CA 1.499 2.882 0 O-C-N 120.989 -1.07 . . . . 0.0 110.81 179.244 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 60.8 mm-40 -134.58 157.64 46.06 Favored 'General case' 0 N--CA 1.501 2.075 0 O-C-N 121.235 -1.156 . . . . 0.0 108.317 179.438 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 68' ' ' CYS . . . . . 0.481 ' SG ' ' SD ' ' B' ' 57' ' ' MET . 59.3 m -92.19 107.9 19.55 Favored 'General case' 0 N--CA 1.495 1.801 0 O-C-N 120.889 -1.132 . . . . 0.0 109.705 -179.487 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 94.5 m-20 -89.67 168.32 12.21 Favored 'General case' 0 N--CA 1.494 1.772 0 O-C-N 121.025 -1.047 . . . . 0.0 109.241 179.695 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 69.1 t80 -60.0 -39.92 87.44 Favored 'General case' 0 C--N 1.3 -1.547 0 O-C-N 121.363 -0.836 . . . . 0.0 109.6 -179.912 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 51.5 tt0 -60.04 -49.66 76.78 Favored 'General case' 0 N--CA 1.494 1.754 0 O-C-N 121.271 -0.893 . . . . 0.0 110.807 -178.855 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -70.05 -26.88 64.23 Favored 'General case' 0 N--CA 1.499 1.987 0 O-C-N 120.833 -1.167 . . . . 0.0 108.87 -179.787 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 73' ' ' PHE . . . . . . . . . . . . . 47.8 t80 -59.98 -46.75 88.43 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.474 -0.766 . . . . 0.0 109.84 -178.871 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 74' ' ' MET . . . . . . . . . . . . . 96.8 mmm -60.01 -39.28 85.25 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.113 -0.992 . . . . 0.0 109.03 179.619 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -59.78 -36.1 76.01 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.321 -0.862 . . . . 0.0 109.672 -179.642 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 84.8 t80 -59.97 -41.78 92.71 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 120.932 -1.105 . . . . 0.0 109.217 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 77' ' ' VAL . . . . . . . . . . . . . 54.6 t -60.04 -40.97 84.7 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.418 0 O-C-N 121.036 -1.04 . . . . 0.0 108.674 179.225 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 78' ' ' SER . . . . . . . . . . . . . 36.9 t -63.61 -46.01 87.71 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.38 -0.825 . . . . 0.0 110.043 -179.853 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 79' ' ' MET . . . . . . . . . . . . . 95.9 mtp -60.29 -40.1 89.28 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.018 -1.051 . . . . 0.0 109.814 -179.585 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 54.5 t -69.46 -40.1 79.43 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.547 0 O-C-N 121.231 -0.918 . . . . 0.0 109.265 179.764 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 15.5 m -64.86 -44.12 90.77 Favored 'General case' 0 C--N 1.302 -1.475 0 O-C-N 121.341 -0.849 . . . . 0.0 109.608 -179.662 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 62.7 p -70.36 -39.98 74.29 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.076 -1.015 . . . . 0.0 110.051 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -60.04 -47.52 85.5 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.17 -0.956 . . . . 0.0 109.534 -179.701 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 84' ' ' CYS . . . . . 0.432 ' SG ' ' O ' ' B' ' 84' ' ' CYS . 26.4 p -80.78 110.87 16.7 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.293 -0.879 . . . . 0.0 109.457 179.835 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 85' ' ' HIS . . . . . 0.441 ' ND1' ' N ' ' B' ' 85' ' ' HIS . 11.7 p-80 -121.5 28.35 7.77 Favored 'General case' 0 N--CA 1.499 1.977 0 O-C-N 121.634 -0.666 . . . . 0.0 109.354 -179.865 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 86' ' ' GLU . . . . . 0.572 ' O ' ' CD1' ' B' ' 87' ' ' PHE . 86.4 tt0 -70.05 -26.24 63.93 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.418 -0.801 . . . . 0.0 109.949 -179.777 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 87' ' ' PHE . . . . . 0.589 ' O ' ' CD2' ' B' ' 87' ' ' PHE . 28.4 p90 45.36 104.59 0.0 OUTLIER 'General case' 0 N--CA 1.499 1.98 0 CA-C-O 122.014 0.912 . . . . 0.0 110.325 -178.95 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 96.0 m-85 -82.66 122.86 28.67 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 120.796 -1.19 . . . . 0.0 108.711 179.854 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 49.6 tp10 -98.58 101.57 13.04 Favored 'General case' 0 N--CA 1.495 1.809 0 O-C-N 121.141 -0.975 . . . . 0.0 109.489 -179.635 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 90' ' ' HIS . . . . . . . . . . . . . 34.2 m80 -69.97 150.05 47.11 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.199 -0.938 . . . . 0.0 109.579 179.326 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 . . . . . 0 N--CA 1.491 1.608 0 O-C-N 121.113 -0.992 . . . . 0.0 109.374 179.772 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 92' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 93' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 3.5 mmt . . . . . 0 N--CA 1.489 1.501 0 N-CA-C 109.345 -0.613 . . . . 0.0 109.345 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 33.0 p -71.8 -7.25 47.12 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.298 -0.876 . . . . 0.0 109.977 -179.684 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 48.1 mt-10 -60.01 -27.8 67.19 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.273 -0.892 . . . . 0.0 110.628 -179.359 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.509 ' O ' ' SD ' ' A' ' 7' ' ' MET . 1.1 mp -54.29 -50.84 66.36 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 120.779 -1.2 . . . . 0.0 108.957 -179.589 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . 0.406 ' OE2' HD23 ' B' ' 40' ' ' LEU . 61.6 mm-40 -60.32 -41.08 92.75 Favored 'General case' 0 N--CA 1.494 1.767 0 O-C-N 121.041 -1.037 . . . . 0.0 110.202 179.901 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 28.5 tptt -60.21 -40.03 88.68 Favored 'General case' 0 N--CA 1.488 1.463 0 O-C-N 121.231 -0.918 . . . . 0.0 109.39 -179.109 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -62.45 -50.1 72.8 Favored 'General case' 0 N--CA 1.495 1.79 0 O-C-N 121.293 -0.879 . . . . 0.0 110.869 -179.567 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' MET . . . . . 0.509 ' SD ' ' O ' ' A' ' 3' ' ' LEU . 3.6 mpp? -60.42 -40.24 90.34 Favored 'General case' 0 N--CA 1.495 1.806 0 O-C-N 120.74 -1.225 . . . . 0.0 109.828 -179.427 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 54.6 t -60.64 -40.14 83.72 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.487 0 O-C-N 121.223 -0.923 . . . . 0.0 109.739 -179.406 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.484 ' O ' HG23 ' A' ' 13' ' ' VAL . . . -66.62 -40.16 88.66 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.139 -0.976 . . . . 0.0 110.304 -179.345 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 39.2 mt -65.22 -41.35 94.52 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.065 -1.022 . . . . 0.0 110.512 -179.445 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 96.9 mt -69.63 -47.27 72.22 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.661 0 O-C-N 121.004 -1.06 . . . . 0.0 110.222 -179.539 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 9.3 t0 -61.62 -40.24 94.15 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.177 -0.952 . . . . 0.0 110.612 -179.23 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.484 HG23 ' O ' ' A' ' 9' ' ' ALA . 78.1 t -66.9 -41.11 87.15 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.683 0 O-C-N 121.039 -1.038 . . . . 0.0 110.64 -178.893 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 60.0 t80 -59.87 -46.89 87.85 Favored 'General case' 0 N--CA 1.494 1.745 0 O-C-N 120.781 -1.199 . . . . 0.0 110.172 -179.001 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 85.3 t60 -59.97 -41.27 91.59 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.297 -0.877 . . . . 0.0 111.634 -179.127 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 96.0 mt-30 -61.25 -50.58 72.48 Favored 'General case' 0 N--CA 1.494 1.766 0 O-C-N 120.85 -1.156 . . . . 0.0 111.133 -177.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 55.9 m-85 -70.1 -38.92 75.76 Favored 'General case' 0 N--CA 1.495 1.792 0 O-C-N 121.036 -1.04 . . . . 0.0 110.539 -179.703 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 77.2 p -60.02 -42.09 93.58 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 120.929 -1.107 . . . . 0.0 109.527 -179.152 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -74.04 -41.55 39.69 Favored Glycine 0 N--CA 1.49 2.238 0 N-CA-C 109.969 -1.252 . . . . 0.0 109.969 -179.872 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 2.8 tpm_? -60.09 -43.89 95.19 Favored 'General case' 0 N--CA 1.494 1.751 0 O-C-N 121.154 -1.203 . . . . 0.0 109.953 -179.263 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.455 ' CD ' ' N ' ' A' ' 22' ' ' GLY . 14.9 tm-20 -168.74 147.36 4.11 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.023 -1.048 . . . . 0.0 109.786 -179.501 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . 0.455 ' N ' ' CD ' ' A' ' 21' ' ' GLU . . . 99.93 69.91 0.91 Allowed Glycine 0 N--CA 1.496 2.641 0 N-CA-C 109.434 -1.466 . . . . 0.0 109.434 179.739 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . 0.42 ' O ' ' O ' ' A' ' 22' ' ' GLY . 82.0 m-20 51.38 177.36 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.455 -1.026 . . . . 0.0 110.102 179.646 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 9.2 mtmp? -95.03 -32.25 13.22 Favored 'General case' 0 N--CA 1.495 1.788 0 O-C-N 121.304 -0.873 . . . . 0.0 110.503 -179.427 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . 0.466 ' N ' ' ND1' ' A' ' 25' ' ' HIS . 13.8 p-80 -134.37 20.97 3.68 Favored 'General case' 0 N--CA 1.499 1.984 0 O-C-N 121.225 -0.922 . . . . 0.0 110.703 -178.612 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 25.5 mtpp -134.26 151.49 51.31 Favored 'General case' 0 N--CA 1.501 2.108 0 O-C-N 121.194 -0.941 . . . . 0.0 109.063 179.794 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 11.8 tp -99.55 128.63 45.67 Favored 'General case' 0 N--CA 1.498 1.966 0 O-C-N 121.292 -0.88 . . . . 0.0 109.45 -179.287 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 30.1 mmtm -106.6 173.58 6.26 Favored 'General case' 0 N--CA 1.497 1.89 0 O-C-N 121.563 -0.71 . . . . 0.0 109.737 179.906 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 65.0 mttm -60.0 -38.88 83.9 Favored 'General case' 0 N--CA 1.494 1.737 0 O-C-N 121.652 -0.655 . . . . 0.0 110.435 -179.156 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 67.9 m -60.1 -39.97 88.03 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.319 -0.863 . . . . 0.0 110.359 -177.827 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 -67.7 -40.01 84.35 Favored 'General case' 0 N--CA 1.488 1.428 0 O-C-N 120.858 -1.151 . . . . 0.0 109.466 -179.88 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 41.6 tp -61.9 -48.98 78.05 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.269 -0.894 . . . . 0.0 109.37 179.626 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 14.3 ttmm -59.96 -44.52 94.38 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.415 -0.803 . . . . 0.0 109.99 -179.095 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . 0.463 ' O ' ' ND2' ' A' ' 38' ' ' ASN . 67.9 mm-40 -69.67 -39.74 76.84 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.152 -0.968 . . . . 0.0 109.643 179.925 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 64.3 tp -60.02 -47.45 85.8 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.099 -1.001 . . . . 0.0 109.573 -178.809 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 91.6 mt -63.54 -39.99 87.37 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.759 0 O-C-N 120.947 -1.096 . . . . 0.0 109.637 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . 0.439 ' O ' ' O ' ' A' ' 38' ' ' ASN . 14.7 t-20 -65.31 -32.64 74.4 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.365 -0.834 . . . . 0.0 110.578 -179.505 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . 0.463 ' ND2' ' O ' ' A' ' 34' ' ' GLU . 4.1 m120 -41.34 -95.89 0.0 OUTLIER 'General case' 0 N--CA 1.498 1.957 0 O-C-N 121.39 -0.819 . . . . 0.0 111.012 -178.565 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . 0.407 ' OE1' ' CG ' ' B' ' 4' ' ' GLU . 44.8 tt0 -110.27 -25.91 9.88 Favored 'General case' 0 N--CA 1.501 2.107 0 O-C-N 121.242 -0.911 . . . . 0.0 110.136 -179.24 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 82.6 mt -62.33 121.54 13.43 Favored 'General case' 0 C--N 1.302 -1.466 0 O-C-N 120.842 -1.161 . . . . 0.0 109.183 -178.897 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . 0.447 ' O ' ' O ' ' A' ' 44' ' ' LEU . 80.7 p -163.18 -44.87 0.03 OUTLIER 'General case' 0 N--CA 1.488 1.437 0 O-C-N 121.591 -0.693 . . . . 0.0 109.2 -179.85 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 55.7 t-80 -60.03 -45.48 92.68 Favored 'General case' 0 N--CA 1.488 1.436 0 O-C-N 121.002 -1.061 . . . . 0.0 109.289 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 42.9 m-85 -64.68 -43.64 92.91 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.403 -0.811 . . . . 0.0 109.966 -179.831 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.447 ' O ' ' O ' ' A' ' 41' ' ' SER . 28.2 mt -131.93 141.97 49.5 Favored 'General case' 0 N--CA 1.5 2.029 0 O-C-N 121.499 -0.751 . . . . 0.0 109.042 -179.819 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -59.95 161.08 6.99 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.181 -0.95 . . . . 0.0 109.06 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -63.28 167.47 5.2 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.178 -0.951 . . . . 0.0 109.297 -179.901 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 44.1 mm -77.78 112.04 15.29 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.499 0 O-C-N 121.179 -0.951 . . . . 0.0 110.177 -178.64 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 21.3 ttpp -91.2 -76.25 0.45 Allowed 'General case' 0 N--CA 1.492 1.67 0 N-CA-C 108.921 -0.77 . . . . 0.0 108.921 179.488 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 42.5 mt-10 -101.53 148.53 25.09 Favored 'General case' 0 N--CA 1.499 2.001 0 O-C-N 121.299 -0.876 . . . . 0.0 109.667 179.691 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 37.4 tt0 -60.18 -27.85 67.47 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.356 -0.84 . . . . 0.0 109.305 179.79 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 66.0 mm-40 -54.53 -40.07 68.26 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.393 -0.817 . . . . 0.0 109.462 -179.137 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 53.0 t -59.99 -45.56 95.21 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.408 0 O-C-N 121.156 -0.965 . . . . 0.0 108.906 -179.928 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 76.3 t -61.65 -45.13 99.31 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.548 0 O-C-N 121.446 -0.784 . . . . 0.0 109.366 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 96.2 m-20 -60.61 -40.04 90.42 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.1 -1.0 . . . . 0.0 110.002 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 35.7 ttpt -65.57 -40.04 92.33 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.161 -0.962 . . . . 0.0 109.907 -179.566 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 62.0 t -67.39 -48.37 77.78 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.634 0 O-C-N 121.233 -0.917 . . . . 0.0 109.822 -179.3 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 99.7 mtp -68.68 -39.97 80.31 Favored 'General case' 0 N--CA 1.494 1.741 0 O-C-N 121.267 -0.896 . . . . 0.0 110.361 -179.135 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 54.5 tp10 -64.58 -39.95 94.66 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.345 -0.847 . . . . 0.0 110.89 -178.814 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 92.5 m -68.51 -49.98 55.6 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 120.984 -1.073 . . . . 0.0 111.08 -178.418 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 27.4 tp -78.86 -59.17 2.89 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.121 -0.987 . . . . 0.0 110.839 -178.325 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . 0.437 ' OD1' ' N ' ' A' ' 64' ' ' GLY . 16.0 t0 -81.47 89.66 6.17 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 121.217 -0.927 . . . . 0.0 110.677 -177.451 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 43.0 tt0 -69.75 -40.05 76.38 Favored 'General case' 0 C--N 1.302 -1.459 0 O-C-N 121.346 -0.847 . . . . 0.0 109.02 179.091 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 28.2 p-10 -98.39 16.46 21.58 Favored 'General case' 0 N--CA 1.494 1.764 0 O-C-N 121.337 -0.852 . . . . 0.0 109.96 -179.273 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . 0.446 ' O ' ' OD1' ' A' ' 65' ' ' ASP . . . -48.08 -27.94 5.55 Favored Glycine 0 N--CA 1.493 2.464 0 N-CA-C 110.01 -1.236 . . . . 0.0 110.01 -179.265 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . 0.446 ' OD1' ' O ' ' A' ' 64' ' ' GLY . 2.3 p-10 45.5 26.92 0.34 Allowed 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.352 -1.087 . . . . 0.0 109.971 179.773 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 83.05 -1.31 88.91 Favored Glycine 0 N--CA 1.492 2.425 0 N-CA-C 110.227 -1.149 . . . . 0.0 110.227 179.429 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.406 ' OE2' ' C ' ' A' ' 68' ' ' CYS . 4.0 tm-20 -140.06 137.37 34.5 Favored 'General case' 0 N--CA 1.497 1.909 0 O-C-N 121.15 -1.206 . . . . 0.0 109.194 179.842 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' CYS . . . . . 0.406 ' C ' ' OE2' ' A' ' 67' ' ' GLU . 8.6 m -109.93 133.99 52.57 Favored 'General case' 0 N--CA 1.499 2.011 0 O-C-N 121.504 -0.748 . . . . 0.0 109.984 -179.123 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 84.4 m-20 -89.37 170.55 10.46 Favored 'General case' 0 N--CA 1.495 1.776 0 O-C-N 121.412 -0.805 . . . . 0.0 110.155 -179.864 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 9.1 t80 -57.81 -45.33 86.25 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.455 -0.778 . . . . 0.0 109.048 -179.417 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 30.4 tt0 -60.53 -41.07 93.67 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 121.127 -0.983 . . . . 0.0 108.911 179.467 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . 0.401 ' OE1' ' OD1' ' A' ' 61' ' ' ASP . 43.8 mt-10 -64.41 -40.05 95.03 Favored 'General case' 0 N--CA 1.49 1.546 0 N-CA-C 108.768 -0.827 . . . . 0.0 108.768 179.632 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 36.1 t80 -60.32 -40.02 89.11 Favored 'General case' 0 N--CA 1.488 1.473 0 N-CA-C 109.079 -0.712 . . . . 0.0 109.079 179.033 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 10.7 tpt -60.03 -39.92 87.54 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 121.268 -0.895 . . . . 0.0 109.283 -179.399 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -60.08 -38.18 82.12 Favored 'General case' 0 N--CA 1.495 1.804 0 O-C-N 121.353 -0.842 . . . . 0.0 110.38 179.853 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 63.6 t80 -60.03 -39.1 84.7 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.168 -0.958 . . . . 0.0 109.221 -178.943 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 54.4 t -60.03 -40.04 82.05 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.527 0 O-C-N 121.304 -0.873 . . . . 0.0 109.227 -179.866 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 86.3 p -59.93 -39.93 87.19 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.083 -1.011 . . . . 0.0 110.507 -179.081 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 48.6 ttm -60.06 -42.14 93.85 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 120.897 -1.127 . . . . 0.0 109.735 -179.912 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 54.4 t -60.6 -42.37 91.41 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.494 0 O-C-N 121.221 -0.924 . . . . 0.0 109.695 -179.489 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 94.6 m -62.97 -49.14 75.88 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.149 -0.969 . . . . 0.0 109.899 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 75.3 p -72.55 -39.38 67.51 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.167 -0.958 . . . . 0.0 109.882 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . 0.584 ' O ' ' N ' ' A' ' 85' ' ' HIS . . . -53.21 -19.94 3.55 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.318 -0.864 . . . . 0.0 110.211 -179.151 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 51.7 t -51.09 85.76 0.0 OUTLIER 'General case' 0 N--CA 1.494 1.752 0 O-C-N 121.34 -0.85 . . . . 0.0 109.722 -179.611 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' HIS . . . . . 0.584 ' N ' ' O ' ' A' ' 83' ' ' ALA . 85.5 t60 -69.01 -40.37 78.72 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.446 -0.784 . . . . 0.0 110.044 -179.559 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -89.75 125.73 35.4 Favored 'General case' 0 N--CA 1.496 1.829 0 O-C-N 121.332 -0.855 . . . . 0.0 110.367 -179.159 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -94.86 154.63 17.15 Favored 'General case' 0 N--CA 1.497 1.892 0 O-C-N 121.238 -0.914 . . . . 0.0 109.166 179.306 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 83.9 m-85 -83.7 -0.26 50.03 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.476 -0.765 . . . . 0.0 109.014 -179.85 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 50.0 mt-10 -63.57 117.71 7.16 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.313 -0.867 . . . . 0.0 109.406 -179.67 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 12.8 m-70 -77.12 150.84 35.57 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.216 -0.927 . . . . 0.0 109.355 179.768 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . 0.611 ' CD ' ' H ' ' A' ' 91' ' ' GLU . 0.7 OUTLIER . . . . . 0 N--CA 1.492 1.674 0 CA-C-O 118.038 -0.982 . . . . 0.0 109.242 179.707 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 0' ' ' MET . . . . . . . . . . . . . 3.4 mmt . . . . . 0 N--CA 1.491 1.578 0 CA-C-O 121.323 0.582 . . . . 0.0 109.453 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 33.3 p -72.07 -6.88 45.62 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.28 -0.887 . . . . 0.0 109.917 -179.715 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 48.8 mt-10 -60.02 -28.37 67.67 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.288 -0.882 . . . . 0.0 110.635 -179.558 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 3' ' ' LEU . . . . . 0.502 ' O ' ' SD ' ' B' ' 7' ' ' MET . 1.4 mp -54.21 -50.6 66.73 Favored 'General case' 0 N--CA 1.494 1.752 0 O-C-N 120.648 -1.283 . . . . 0.0 108.924 -179.659 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 4' ' ' GLU . . . . . 0.407 ' CG ' ' OE1' ' A' ' 39' ' ' GLU . 61.8 mm-40 -60.03 -41.2 91.72 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 120.989 -1.069 . . . . 0.0 110.217 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 28.2 tptt -60.34 -39.95 88.93 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.241 -0.912 . . . . 0.0 109.406 -179.115 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -62.48 -50.13 72.63 Favored 'General case' 0 N--CA 1.494 1.736 0 O-C-N 121.396 -0.815 . . . . 0.0 110.794 -179.349 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 7' ' ' MET . . . . . 0.502 ' SD ' ' O ' ' B' ' 3' ' ' LEU . 3.5 mpp? -60.27 -40.29 89.86 Favored 'General case' 0 N--CA 1.496 1.844 0 O-C-N 120.858 -1.151 . . . . 0.0 109.821 -179.515 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 58.0 t -61.0 -40.05 84.27 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.464 0 O-C-N 121.224 -0.922 . . . . 0.0 109.8 -179.398 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 9' ' ' ALA . . . . . 0.429 ' O ' HG23 ' B' ' 13' ' ' VAL . . . -66.36 -40.91 90.07 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.193 -0.942 . . . . 0.0 110.292 -179.564 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 49.0 mt -64.27 -42.05 96.62 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 121.113 -0.992 . . . . 0.0 110.498 -179.407 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 96.8 mt -69.34 -47.45 73.17 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.676 0 O-C-N 121.019 -1.05 . . . . 0.0 110.319 -179.367 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 9.3 t0 -61.53 -40.07 93.31 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.131 -0.98 . . . . 0.0 110.596 -179.214 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 13' ' ' VAL . . . . . 0.429 HG23 ' O ' ' B' ' 9' ' ' ALA . 53.9 t -67.04 -40.91 86.52 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.678 0 O-C-N 121.028 -1.045 . . . . 0.0 110.572 -178.906 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 14' ' ' PHE . . . . . . . . . . . . . 58.7 t80 -60.08 -46.76 88.5 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 120.746 -1.221 . . . . 0.0 110.14 -178.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 86.1 t60 -59.96 -41.54 92.17 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.348 -0.845 . . . . 0.0 111.718 -179.074 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 97.6 mt-30 -61.09 -50.5 73.03 Favored 'General case' 0 N--CA 1.495 1.79 0 O-C-N 120.775 -1.203 . . . . 0.0 111.148 -178.155 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 53.5 m-85 -70.09 -39.16 75.74 Favored 'General case' 0 N--CA 1.495 1.778 0 O-C-N 120.984 -1.072 . . . . 0.0 110.571 -179.609 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 60.2 p -60.04 -41.17 91.71 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.032 -1.043 . . . . 0.0 109.722 -179.143 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -75.4 -40.87 31.99 Favored Glycine 0 N--CA 1.488 2.133 0 N-CA-C 109.994 -1.242 . . . . 0.0 109.994 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 2.7 tpm_? -59.97 -43.64 94.95 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.109 -1.23 . . . . 0.0 109.798 -179.493 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 21' ' ' GLU . . . . . 0.457 ' CD ' ' N ' ' B' ' 22' ' ' GLY . 15.2 tm-20 -169.19 147.69 3.83 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.072 -1.017 . . . . 0.0 109.774 -179.689 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 22' ' ' GLY . . . . . 0.457 ' N ' ' CD ' ' B' ' 21' ' ' GLU . . . 99.88 69.79 0.91 Allowed Glycine 0 N--CA 1.494 2.554 0 N-CA-C 109.497 -1.441 . . . . 0.0 109.497 179.778 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 23' ' ' ASP . . . . . 0.488 ' OD2' ' NZ ' ' B' ' 28' ' ' LYS . 81.3 m-20 51.15 177.95 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.39 -1.065 . . . . 0.0 109.915 179.864 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 9.2 mtmp? -95.75 -31.62 13.12 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 121.449 -0.782 . . . . 0.0 110.484 -179.309 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 25' ' ' HIS . . . . . 0.479 ' ND1' ' N ' ' B' ' 25' ' ' HIS . 12.4 p-80 -134.59 20.75 3.6 Favored 'General case' 0 N--CA 1.499 1.983 0 O-C-N 121.282 -0.886 . . . . 0.0 110.662 -178.739 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 25.1 mtpp -134.16 151.83 51.54 Favored 'General case' 0 N--CA 1.5 2.073 0 O-C-N 121.197 -0.939 . . . . 0.0 108.919 179.871 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 11.9 tp -99.84 128.34 45.94 Favored 'General case' 0 N--CA 1.498 1.953 0 O-C-N 121.154 -0.966 . . . . 0.0 109.373 -179.186 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 28' ' ' LYS . . . . . 0.488 ' NZ ' ' OD2' ' B' ' 23' ' ' ASP . 30.3 mmtm -106.24 173.91 6.11 Favored 'General case' 0 N--CA 1.498 1.954 0 O-C-N 121.427 -0.795 . . . . 0.0 109.635 179.897 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 65.7 mttm -60.05 -39.08 84.73 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.508 -0.745 . . . . 0.0 110.45 -179.193 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 55.3 m -60.04 -39.96 87.71 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.27 -0.894 . . . . 0.0 110.394 -177.812 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -67.33 -40.69 85.94 Favored 'General case' 0 C--N 1.302 -1.475 0 O-C-N 120.817 -1.177 . . . . 0.0 109.563 179.852 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 35.8 tp -61.26 -49.34 77.48 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.265 -0.897 . . . . 0.0 109.28 179.836 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 13.8 ttmm -59.96 -43.85 94.79 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.358 -0.839 . . . . 0.0 110.087 -178.953 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 34' ' ' GLU . . . . . 0.467 ' O ' ' ND2' ' B' ' 38' ' ' ASN . 68.1 mm-40 -70.01 -39.85 75.58 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.222 -0.923 . . . . 0.0 109.674 179.767 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 61.7 tp -60.02 -46.55 89.14 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.254 -0.904 . . . . 0.0 109.925 -179.12 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 96.2 mt -64.4 -40.01 87.58 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.624 0 O-C-N 121.024 -1.047 . . . . 0.0 109.548 179.892 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 37' ' ' ASN . . . . . 0.428 ' O ' ' O ' ' B' ' 38' ' ' ASN . 14.9 t-20 -65.27 -32.32 73.92 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.311 -0.868 . . . . 0.0 110.598 -179.586 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 38' ' ' ASN . . . . . 0.467 ' ND2' ' O ' ' B' ' 34' ' ' GLU . 4.1 m120 -41.6 -95.28 0.0 OUTLIER 'General case' 0 N--CA 1.497 1.877 0 O-C-N 121.255 -0.903 . . . . 0.0 111.078 -178.589 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 45.6 tt0 -111.06 -26.43 9.24 Favored 'General case' 0 N--CA 1.502 2.146 0 O-C-N 121.193 -0.942 . . . . 0.0 109.994 -179.375 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 40' ' ' LEU . . . . . 0.406 HD23 ' OE2' ' A' ' 4' ' ' GLU . 77.4 mt -61.31 121.98 13.96 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 120.889 -1.132 . . . . 0.0 108.859 -179.201 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 41' ' ' SER . . . . . 0.464 ' O ' ' O ' ' B' ' 44' ' ' LEU . 53.1 p -164.56 -44.87 0.03 OUTLIER 'General case' 0 C--N 1.304 -1.408 0 O-C-N 121.526 -0.733 . . . . 0.0 109.226 -179.567 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 42' ' ' HIS . . . . . . . . . . . . . 55.0 t-80 -60.1 -45.45 92.9 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 120.925 -1.11 . . . . 0.0 109.193 179.778 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 44.0 m-85 -64.68 -43.41 93.63 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.326 -0.859 . . . . 0.0 109.993 -179.862 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 44' ' ' LEU . . . . . 0.464 ' O ' ' O ' ' B' ' 41' ' ' SER . 33.5 mt -131.99 141.69 49.36 Favored 'General case' 0 N--CA 1.499 1.984 0 O-C-N 121.442 -0.786 . . . . 0.0 109.215 -179.656 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -60.01 160.59 7.75 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.241 -0.912 . . . . 0.0 109.027 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -63.03 167.49 4.8 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.178 -0.952 . . . . 0.0 109.283 -179.885 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 42.3 mm -77.85 112.21 15.56 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.573 0 O-C-N 121.27 -0.894 . . . . 0.0 110.161 -178.502 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 21.2 ttpp -91.36 -76.16 0.45 Allowed 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.465 -0.772 . . . . 0.0 108.966 179.515 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -101.62 148.64 24.99 Favored 'General case' 0 N--CA 1.5 2.056 0 O-C-N 121.288 -0.883 . . . . 0.0 109.795 179.573 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 37.6 tt0 -60.02 -28.19 67.54 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.27 -0.894 . . . . 0.0 109.363 179.787 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 66.1 mm-40 -54.35 -40.0 67.66 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.265 -0.897 . . . . 0.0 109.425 -179.112 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 54.0 t -59.98 -45.78 94.91 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.469 0 O-C-N 121.142 -0.974 . . . . 0.0 108.887 -179.855 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 76.5 t -61.66 -44.78 99.24 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.422 0 O-C-N 121.413 -0.804 . . . . 0.0 109.481 -179.898 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 96.1 m-20 -61.16 -40.15 92.81 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.164 -0.96 . . . . 0.0 110.045 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 35.5 ttpt -65.37 -40.08 93.09 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.139 -0.976 . . . . 0.0 109.851 -179.62 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 70.1 t -67.36 -47.48 80.91 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.59 0 O-C-N 121.213 -0.93 . . . . 0.0 110.069 -179.338 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 57' ' ' MET . . . . . . . . . . . . . 99.3 mtp -69.66 -40.0 76.73 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.249 -0.907 . . . . 0.0 110.171 -179.208 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 54.2 tp10 -64.47 -40.12 95.09 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.3 -0.875 . . . . 0.0 110.878 -178.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 94.3 m -67.81 -50.06 58.86 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.037 -1.039 . . . . 0.0 111.235 -178.472 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 16.4 tp -80.03 -58.84 2.96 Favored 'General case' 0 C--N 1.299 -1.607 0 O-C-N 121.211 -0.931 . . . . 0.0 110.978 -178.176 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 61' ' ' ASP . . . . . 0.432 ' OD1' ' N ' ' B' ' 64' ' ' GLY . 17.7 t0 -81.37 89.21 6.09 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.183 -0.948 . . . . 0.0 110.669 -177.727 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 43.9 tt0 -69.68 -39.99 76.65 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.369 -0.832 . . . . 0.0 109.057 179.197 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 28.3 p-10 -97.92 16.65 20.27 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 121.44 -0.788 . . . . 0.0 109.88 -179.505 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 64' ' ' GLY . . . . . 0.445 ' O ' ' OD1' ' B' ' 65' ' ' ASP . . . -48.34 -28.16 6.16 Favored Glycine 0 N--CA 1.492 2.376 0 N-CA-C 110.173 -1.171 . . . . 0.0 110.173 -179.124 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 65' ' ' ASP . . . . . 0.445 ' OD1' ' O ' ' B' ' 64' ' ' GLY . 2.2 p-10 45.66 26.95 0.38 Allowed 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.347 -1.09 . . . . 0.0 110.005 179.808 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 82.48 -0.35 89.23 Favored Glycine 0 N--CA 1.494 2.548 0 N-CA-C 110.131 -1.188 . . . . 0.0 110.131 179.441 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 67' ' ' GLU . . . . . 0.404 ' OE2' ' C ' ' B' ' 68' ' ' CYS . 4.0 tm-20 -140.41 136.97 33.62 Favored 'General case' 0 N--CA 1.498 1.94 0 O-C-N 121.198 -1.178 . . . . 0.0 109.236 179.893 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 68' ' ' CYS . . . . . 0.404 ' C ' ' OE2' ' B' ' 67' ' ' GLU . 11.2 m -109.61 134.01 52.44 Favored 'General case' 0 N--CA 1.501 2.09 0 O-C-N 121.566 -0.709 . . . . 0.0 110.051 -179.286 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 84.5 m-20 -89.69 170.43 10.45 Favored 'General case' 0 N--CA 1.496 1.838 0 O-C-N 121.351 -0.843 . . . . 0.0 110.064 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 8.8 t80 -57.66 -45.3 85.7 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.382 -0.824 . . . . 0.0 109.089 -179.446 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 30.6 tt0 -60.93 -40.65 94.03 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.135 -0.978 . . . . 0.0 108.983 179.583 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 72' ' ' GLU . . . . . 0.416 ' OE1' ' OD2' ' B' ' 61' ' ' ASP . 43.7 mt-10 -64.72 -39.97 94.55 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.307 -0.87 . . . . 0.0 108.774 179.674 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 73' ' ' PHE . . . . . . . . . . . . . 33.1 t80 -60.26 -39.89 88.38 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.605 -0.684 . . . . 0.0 109.199 178.913 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 74' ' ' MET . . . . . . . . . . . . . 10.5 tpt -60.07 -39.96 87.86 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.44 -0.787 . . . . 0.0 109.215 -179.477 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -60.06 -38.1 81.83 Favored 'General case' 0 N--CA 1.495 1.811 0 O-C-N 121.323 -0.861 . . . . 0.0 110.426 179.75 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 64.3 t80 -60.08 -39.14 85.06 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.173 -0.955 . . . . 0.0 109.108 -179.006 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 77' ' ' VAL . . . . . . . . . . . . . 54.5 t -60.05 -39.95 81.81 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.528 0 O-C-N 121.218 -0.926 . . . . 0.0 109.343 -179.891 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 78' ' ' SER . . . . . . . . . . . . . 85.9 p -59.97 -40.04 87.74 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.178 -0.951 . . . . 0.0 110.495 -179.252 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 79' ' ' MET . . . . . . . . . . . . . 48.1 ttm -59.96 -42.56 94.34 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 120.886 -1.134 . . . . 0.0 109.708 -179.849 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 54.5 t -60.01 -42.43 89.6 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.54 0 O-C-N 121.273 -0.892 . . . . 0.0 109.787 -179.529 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 94.5 m -62.86 -49.22 75.74 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.042 -1.036 . . . . 0.0 109.997 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 79.9 p -72.73 -39.47 66.87 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.2 -0.938 . . . . 0.0 109.844 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 83' ' ' ALA . . . . . 0.575 ' O ' ' N ' ' B' ' 85' ' ' HIS . . . -53.11 -20.02 3.38 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.366 -0.833 . . . . 0.0 110.196 -179.318 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 84' ' ' CYS . . . . . . . . . . . . . 49.0 t -51.02 85.84 0.0 OUTLIER 'General case' 0 N--CA 1.495 1.823 0 O-C-N 121.247 -0.908 . . . . 0.0 109.705 -179.562 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 85' ' ' HIS . . . . . 0.575 ' N ' ' O ' ' B' ' 83' ' ' ALA . 85.3 t60 -69.07 -40.46 78.46 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.364 -0.835 . . . . 0.0 110.079 -179.529 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -89.61 126.21 35.53 Favored 'General case' 0 N--CA 1.496 1.827 0 O-C-N 121.331 -0.855 . . . . 0.0 110.256 -179.118 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 87' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -95.09 154.48 17.16 Favored 'General case' 0 N--CA 1.496 1.849 0 O-C-N 121.331 -0.855 . . . . 0.0 109.271 179.183 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 86.0 m-85 -83.41 0.48 45.93 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.421 -0.799 . . . . 0.0 109.169 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 49.5 mt-10 -65.18 113.22 3.83 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.338 -0.852 . . . . 0.0 110.113 -179.234 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 90' ' ' HIS . . . . . . . . . . . . . 11.6 m-70 -71.01 150.02 46.04 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.195 -0.941 . . . . 0.0 110.131 178.921 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 91' ' ' GLU . . . . . 0.609 ' CD ' ' H ' ' B' ' 91' ' ' GLU . 0.6 OUTLIER . . . . . 0 N--CA 1.493 1.724 0 CA-C-O 118.016 -0.992 . . . . 0.0 109.138 179.16 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 92' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 93' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 28.3 ttt . . . . . 0 N--CA 1.492 1.662 0 N-CA-C 109.379 -0.6 . . . . 0.0 109.379 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 80.6 p -75.19 168.38 20.1 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.479 -0.763 . . . . 0.0 110.016 -179.773 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 95.8 mt-10 -60.09 -39.44 86.14 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.509 -0.745 . . . . 0.0 109.55 179.538 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.551 HD13 ' O ' ' A' ' 3' ' ' LEU . 0.3 OUTLIER -60.1 -42.73 95.28 Favored 'General case' 0 C--N 1.301 -1.521 0 O-C-N 121.205 -0.935 . . . . 0.0 108.701 -179.352 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 78.9 mm-40 -60.26 -43.46 96.12 Favored 'General case' 0 C--N 1.304 -1.411 0 O-C-N 121.193 -0.942 . . . . 0.0 109.297 179.852 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 36.4 ttmt -63.35 -40.16 96.52 Favored 'General case' 0 N--CA 1.487 1.417 0 O-C-N 121.378 -0.826 . . . . 0.0 109.428 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -60.08 -48.05 83.33 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.35 -0.844 . . . . 0.0 110.05 -179.439 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 8.7 ttp -60.2 -40.26 89.43 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 120.94 -1.1 . . . . 0.0 109.656 -179.934 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 53.6 t -65.53 -39.12 84.12 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.577 0 O-C-N 121.396 -0.815 . . . . 0.0 109.407 179.67 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.9 -40.21 87.98 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.281 -0.887 . . . . 0.0 110.414 -178.758 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 2.2 mm? -59.93 -43.52 94.88 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 120.498 -1.376 . . . . 0.0 109.186 179.884 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 94.6 mt -71.23 -47.17 61.87 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.64 0 O-C-N 120.922 -1.111 . . . . 0.0 110.532 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 45.7 t0 -68.99 -45.28 70.99 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.083 -1.011 . . . . 0.0 111.073 -178.895 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 53.6 t -60.97 -40.9 87.03 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.868 0 O-C-N 120.8 -1.188 . . . . 0.0 110.213 -179.093 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 55.2 t80 -59.87 -44.22 94.28 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.085 -1.009 . . . . 0.0 110.255 -178.802 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 56.9 t-80 -67.14 -39.61 86.59 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.335 -0.853 . . . . 0.0 111.333 -178.949 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 15.5 mm100 -59.91 -48.41 81.79 Favored 'General case' 0 N--CA 1.496 1.843 0 O-C-N 121.035 -1.041 . . . . 0.0 111.325 -178.151 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 50.4 m-85 -69.67 -40.07 76.62 Favored 'General case' 0 N--CA 1.496 1.836 0 O-C-N 120.624 -1.297 . . . . 0.0 110.601 -179.433 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 39.1 t -60.84 -43.0 98.86 Favored 'General case' 0 N--CA 1.494 1.762 0 O-C-N 120.904 -1.123 . . . . 0.0 111.174 -179.03 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -82.41 -2.85 90.68 Favored Glycine 0 N--CA 1.494 2.55 0 O-C-N 121.064 -1.022 . . . . 0.0 111.551 -178.515 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 2.3 ppt_? -60.1 -40.89 91.22 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 120.447 -1.62 . . . . 0.0 111.002 -178.036 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 88.9 tt0 -78.28 -40.28 37.45 Favored 'General case' 0 N--CA 1.496 1.852 0 O-C-N 120.464 -1.398 . . . . 0.0 109.819 179.786 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 151.28 -28.34 0.98 Allowed Glycine 0 N--CA 1.492 2.393 0 N-CA-C 109.304 -1.518 . . . . 0.0 109.304 -179.762 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 93.9 m-20 -96.45 110.96 23.23 Favored 'General case' 0 N--CA 1.497 1.895 0 O-C-N 121.354 -1.086 . . . . 0.0 108.854 179.678 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . 0.439 ' H ' ' HG2' ' A' ' 24' ' ' LYS . 16.5 pttm -100.06 98.84 9.53 Favored 'General case' 0 N--CA 1.499 1.983 0 O-C-N 121.324 -0.86 . . . . 0.0 110.056 -179.792 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 21.3 t-160 -177.78 -47.19 0.01 OUTLIER 'General case' 0 N--CA 1.495 1.8 0 O-C-N 121.294 -0.879 . . . . 0.0 110.196 179.484 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 48.6 pttt -146.27 161.78 39.53 Favored 'General case' 0 N--CA 1.496 1.849 0 O-C-N 121.193 -0.942 . . . . 0.0 110.076 -178.292 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.404 ' N ' HD12 ' A' ' 27' ' ' LEU . 5.4 mp -105.84 141.99 36.31 Favored 'General case' 0 N--CA 1.497 1.888 0 O-C-N 121.35 -0.844 . . . . 0.0 109.224 -179.523 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -91.28 177.42 6.25 Favored 'General case' 0 N--CA 1.497 1.908 0 O-C-N 121.186 -0.947 . . . . 0.0 108.964 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.432 ' HZ3' ' HB2' ' A' ' 29' ' ' LYS . 5.9 mtmp? -60.06 -45.99 91.02 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.136 -0.978 . . . . 0.0 110.546 -178.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 34.5 t -64.03 -44.51 92.34 Favored 'General case' 0 N--CA 1.494 1.755 0 O-C-N 120.983 -1.073 . . . . 0.0 110.04 -179.088 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 84.2 tt0 -70.04 -30.84 68.21 Favored 'General case' 0 C--N 1.298 -1.631 0 O-C-N 121.352 -0.842 . . . . 0.0 110.094 -179.697 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 59.5 tp -59.82 -50.0 75.52 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.371 -0.83 . . . . 0.0 110.576 -178.212 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.412 ' H ' ' HG2' ' A' ' 33' ' ' LYS . 0.0 OUTLIER -61.63 -37.32 83.57 Favored 'General case' 0 C--N 1.297 -1.685 0 O-C-N 121.023 -1.048 . . . . 0.0 109.681 -179.921 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . 0.468 ' O ' ' OD1' ' A' ' 38' ' ' ASN . 87.6 tt0 -60.22 -44.86 94.82 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 120.89 -1.131 . . . . 0.0 109.957 -179.451 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 18.0 tp -60.19 -40.41 89.95 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.44 -0.787 . . . . 0.0 109.284 -179.641 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 97.1 mt -69.94 -36.89 71.09 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.642 0 O-C-N 121.536 -0.728 . . . . 0.0 110.374 -179.785 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 52.7 t30 -59.44 -46.09 89.73 Favored 'General case' 0 N--CA 1.497 1.913 0 O-C-N 121.16 -0.962 . . . . 0.0 111.159 -177.806 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . 0.553 HD22 ' CD ' ' A' ' 39' ' ' GLU . 0.3 OUTLIER -79.68 -19.96 47.72 Favored 'General case' 0 N--CA 1.496 1.841 0 O-C-N 120.708 -1.245 . . . . 0.0 109.539 -179.962 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . 0.553 ' CD ' HD22 ' A' ' 38' ' ' ASN . 0.2 OUTLIER -86.92 -75.39 0.4 Allowed 'General case' 0 N--CA 1.496 1.841 0 O-C-N 121.112 -0.992 . . . . 0.0 109.221 179.796 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 5.5 mp -91.79 104.23 16.7 Favored 'General case' 0 N--CA 1.497 1.884 0 O-C-N 121.032 -1.042 . . . . 0.0 109.345 -179.713 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 94.4 p -101.93 -43.21 5.86 Favored 'General case' 0 N--CA 1.495 1.793 0 O-C-N 121.541 -0.724 . . . . 0.0 110.31 -179.836 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 73.0 t60 -124.48 -12.53 7.24 Favored 'General case' 0 N--CA 1.506 2.355 0 O-C-N 121.104 -0.998 . . . . 0.0 110.55 -179.474 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 41.4 t80 -66.9 -42.96 84.59 Favored 'General case' 0 N--CA 1.492 1.675 0 O-C-N 120.708 -1.245 . . . . 0.0 109.162 -179.874 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 10.4 tp -103.18 132.89 49.09 Favored 'General case' 0 N--CA 1.496 1.866 0 O-C-N 121.516 -0.74 . . . . 0.0 109.268 -179.668 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 86.8 tt0 -100.01 -10.12 21.95 Favored 'General case' 0 N--CA 1.495 1.792 0 O-C-N 121.266 -0.896 . . . . 0.0 109.885 -179.761 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 5.1 tp10 -78.35 -164.46 0.56 Allowed 'General case' 0 N--CA 1.495 1.788 0 O-C-N 120.791 -1.193 . . . . 0.0 110.803 -178.736 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.411 HG23 ' CG2' ' A' ' 53' ' ' VAL . 90.3 mt 56.57 72.6 0.1 Allowed 'Isoleucine or valine' 0 N--CA 1.497 1.888 0 O-C-N 121.536 -0.727 . . . . 0.0 109.211 -178.751 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 9.8 pttm -108.61 -42.85 4.42 Favored 'General case' 0 N--CA 1.501 2.108 0 O-C-N 121.476 -0.765 . . . . 0.0 109.678 179.926 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 14.9 mp0 -113.02 153.51 27.99 Favored 'General case' 0 N--CA 1.507 2.397 0 O-C-N 121.283 -0.885 . . . . 0.0 109.276 178.879 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 2.8 tm0? -60.25 -40.23 89.57 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.551 -0.718 . . . . 0.0 110.814 -179.624 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 4.5 pt-20 -60.19 -38.84 84.48 Favored 'General case' 0 N--CA 1.496 1.833 0 O-C-N 120.959 -1.088 . . . . 0.0 109.48 -179.629 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 54.0 t -60.05 -40.54 83.53 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.508 0 O-C-N 121.184 -0.948 . . . . 0.0 108.617 179.861 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.411 ' CG2' HG23 ' A' ' 47' ' ' ILE . 56.0 t -60.89 -40.54 85.65 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.785 0 O-C-N 121.321 -0.862 . . . . 0.0 109.684 179.348 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . 0.486 ' O ' ' OE1' ' A' ' 58' ' ' GLU . 93.5 m-20 -60.1 -41.25 92.14 Favored 'General case' 0 C--N 1.301 -1.534 0 O-C-N 121.256 -0.903 . . . . 0.0 109.987 -179.1 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 36.1 ttmt -60.72 -40.55 92.72 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.075 -1.015 . . . . 0.0 110.204 -179.67 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 62.6 t -60.82 -40.05 83.88 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.603 0 O-C-N 121.472 -0.767 . . . . 0.0 110.255 -179.234 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 33.3 ttm -60.19 -51.36 69.9 Favored 'General case' 0 N--CA 1.498 1.951 0 O-C-N 121.256 -0.903 . . . . 0.0 112.078 -178.679 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . 0.486 ' OE1' ' O ' ' A' ' 54' ' ' ASP . 10.8 mp0 -60.47 -40.1 90.05 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 120.958 -1.089 . . . . 0.0 109.457 -179.429 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 94.0 m -63.92 -49.51 72.34 Favored 'General case' 0 C--N 1.298 -1.635 0 C-N-CA 119.479 -0.888 . . . . 0.0 109.109 179.669 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 12.8 tp -69.19 -50.93 42.96 Favored 'General case' 0 C--N 1.303 -1.425 0 O-C-N 121.555 -0.716 . . . . 0.0 109.722 179.896 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 19.4 m-20 -81.87 105.99 13.44 Favored 'General case' 0 N--CA 1.495 1.805 0 O-C-N 121.061 -1.024 . . . . 0.0 110.093 -179.538 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 53.8 tp10 -69.95 -34.86 73.98 Favored 'General case' 0 N--CA 1.496 1.862 0 O-C-N 121.238 -0.914 . . . . 0.0 109.139 179.31 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . 0.405 ' OD1' ' N ' ' A' ' 65' ' ' ASP . 6.8 p30 -83.62 -6.37 59.43 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.521 -0.737 . . . . 0.0 110.762 -179.394 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 51.19 48.25 47.49 Favored Glycine 0 N--CA 1.491 2.312 0 N-CA-C 109.612 -1.395 . . . . 0.0 109.612 -179.513 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . 0.405 ' N ' ' OD1' ' A' ' 63' ' ' ASP . 96.3 m-20 -69.95 -19.63 63.36 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 120.895 -1.356 . . . . 0.0 109.893 -179.796 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 89.55 -11.41 70.16 Favored Glycine 0 N--CA 1.497 2.718 0 C-N-CA 120.166 -1.016 . . . . 0.0 110.563 178.951 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 -134.81 148.97 50.31 Favored 'General case' 0 N--CA 1.498 1.956 0 O-C-N 121.26 -1.141 . . . . 0.0 108.894 -179.849 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 7.9 p -106.2 118.46 36.69 Favored 'General case' 0 N--CA 1.5 2.06 0 O-C-N 121.331 -0.856 . . . . 0.0 110.48 -178.936 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 22.9 p30 -89.38 -177.78 5.44 Favored 'General case' 0 N--CA 1.498 1.93 0 O-C-N 121.06 -1.025 . . . . 0.0 108.838 178.576 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 70.7 t80 -60.2 -46.94 88.01 Favored 'General case' 0 N--CA 1.494 1.74 0 O-C-N 121.094 -1.004 . . . . 0.0 111.319 -178.565 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . 0.416 ' HG2' ' H ' ' A' ' 71' ' ' GLN . 1.4 pt20 -60.21 -50.05 75.2 Favored 'General case' 0 N--CA 1.495 1.779 0 O-C-N 120.82 -1.175 . . . . 0.0 110.009 -178.785 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 94.4 mt-10 -61.06 -37.26 82.05 Favored 'General case' 0 N--CA 1.497 1.88 0 O-C-N 120.795 -1.191 . . . . 0.0 109.192 179.131 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 89.0 t80 -59.86 -44.46 94.14 Favored 'General case' 0 N--CA 1.488 1.464 0 O-C-N 121.355 -0.841 . . . . 0.0 109.483 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 4.3 ttt -61.76 -37.73 85.4 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.212 -0.93 . . . . 0.0 109.273 179.559 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -59.33 -39.83 84.39 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.257 -0.902 . . . . 0.0 109.001 -179.831 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 62.6 t80 -60.28 -49.13 78.82 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.199 -0.938 . . . . 0.0 109.236 179.396 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 56.7 t -62.57 -45.7 98.17 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.491 0 O-C-N 121.335 -0.853 . . . . 0.0 109.338 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 53.1 m -62.73 -42.5 99.69 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.576 -0.703 . . . . 0.0 109.889 -179.819 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 5.9 ttp -61.9 -48.94 78.24 Favored 'General case' 0 N--CA 1.494 1.758 0 O-C-N 121.116 -0.99 . . . . 0.0 109.243 179.843 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 78.7 t -68.33 -41.86 83.9 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.472 0 O-C-N 121.547 -0.721 . . . . 0.0 109.226 179.919 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 92.2 m -62.77 -40.05 96.07 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.252 -0.905 . . . . 0.0 109.557 -179.685 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 93.2 m -69.57 -41.69 75.51 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.347 -0.846 . . . . 0.0 110.793 -179.425 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -62.87 -48.11 80.45 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 120.977 -1.077 . . . . 0.0 109.451 -179.457 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' CYS . . . . . 0.498 ' SG ' ' O ' ' A' ' 84' ' ' CYS . 28.0 p -80.03 105.44 11.31 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.181 -0.949 . . . . 0.0 108.94 179.69 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 6.8 t60 -61.56 -40.4 94.58 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.275 -0.891 . . . . 0.0 109.59 -179.589 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -152.49 -77.48 0.12 Allowed 'General case' 0 N--CA 1.496 1.867 0 N-CA-C 108.046 -1.094 . . . . 0.0 108.046 179.37 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER 59.78 18.78 7.62 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.423 -0.798 . . . . 0.0 109.42 179.212 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . 0.545 ' CD1' ' O ' ' A' ' 88' ' ' PHE . 0.2 OUTLIER -86.96 142.08 28.23 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.136 -0.978 . . . . 0.0 109.305 179.877 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . 0.517 ' O ' ' O ' ' A' ' 88' ' ' PHE . 11.7 pt-20 44.13 171.53 0.0 OUTLIER 'General case' 0 N--CA 1.503 2.179 0 CA-C-O 122.511 1.148 . . . . 0.0 112.308 -179.738 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -77.93 159.14 29.04 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.342 -0.849 . . . . 0.0 109.849 -179.555 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 40.7 mt-10 . . . . . 0 N--CA 1.492 1.666 0 CA-C-O 117.944 -1.027 . . . . 0.0 109.423 179.179 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 0' ' ' MET . . . . . . . . . . . . . 27.7 ttt . . . . . 0 N--CA 1.491 1.613 0 N-CA-C 108.913 -0.773 . . . . 0.0 108.913 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 77.2 p -76.4 169.4 18.31 Favored 'General case' 0 N--CA 1.488 1.455 0 O-C-N 121.472 -0.767 . . . . 0.0 109.905 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -60.67 -39.79 89.72 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.561 -0.712 . . . . 0.0 109.502 179.919 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 3' ' ' LEU . . . . . 0.561 HD13 ' O ' ' B' ' 3' ' ' LEU . 0.3 OUTLIER -59.94 -41.59 92.16 Favored 'General case' 0 C--N 1.3 -1.581 0 O-C-N 121.183 -0.948 . . . . 0.0 108.922 -179.365 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 79.2 mm-40 -61.06 -44.83 96.8 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.326 -0.858 . . . . 0.0 109.187 179.819 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 36.8 ttmt -62.27 -39.91 94.5 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.371 -0.83 . . . . 0.0 109.69 179.49 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -60.17 -48.58 81.13 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.24 -0.912 . . . . 0.0 110.013 -179.462 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 7' ' ' MET . . . . . . . . . . . . . 7.5 ttp -59.92 -40.37 88.64 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 120.981 -1.075 . . . . 0.0 109.677 -179.786 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 54.2 t -65.41 -38.93 83.69 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.625 0 O-C-N 121.25 -0.906 . . . . 0.0 109.634 179.356 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.19 -40.59 86.2 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.231 -0.918 . . . . 0.0 110.35 -178.881 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -59.82 -43.6 94.46 Favored 'General case' 0 N--CA 1.496 1.861 0 O-C-N 120.634 -1.291 . . . . 0.0 109.511 179.878 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 94.4 mt -71.48 -47.27 59.57 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.621 0 O-C-N 120.971 -1.081 . . . . 0.0 110.298 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 45.4 t0 -69.39 -45.55 69.01 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.187 -0.946 . . . . 0.0 111.149 -178.936 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 70.5 t -60.31 -41.07 85.8 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.812 0 O-C-N 120.795 -1.191 . . . . 0.0 110.161 -179.15 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 14' ' ' PHE . . . . . . . . . . . . . 53.5 t80 -59.93 -45.17 93.46 Favored 'General case' 0 C--N 1.296 -1.729 0 O-C-N 121.086 -1.008 . . . . 0.0 110.382 -178.67 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 56.1 t-80 -65.89 -39.69 90.88 Favored 'General case' 0 C--N 1.297 -1.714 0 O-C-N 121.425 -0.797 . . . . 0.0 111.298 -179.034 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 15.3 mm100 -59.95 -49.21 78.59 Favored 'General case' 0 N--CA 1.498 1.929 0 O-C-N 120.866 -1.146 . . . . 0.0 111.254 -177.936 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 51.7 m-85 -68.86 -40.15 79.49 Favored 'General case' 0 N--CA 1.497 1.902 0 O-C-N 120.688 -1.258 . . . . 0.0 110.99 -179.209 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 42.4 t -60.86 -43.87 97.78 Favored 'General case' 0 N--CA 1.498 1.941 0 O-C-N 120.675 -1.265 . . . . 0.0 110.881 -178.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -81.43 -3.2 90.69 Favored Glycine 0 N--CA 1.491 2.353 0 O-C-N 121.117 -0.989 . . . . 0.0 111.66 -178.449 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 2.0 ppt_? -60.1 -41.23 92.08 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 120.574 -1.545 . . . . 0.0 110.86 -178.358 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 87.5 tt0 -77.66 -40.2 42.43 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 120.632 -1.293 . . . . 0.0 109.57 -179.807 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . 150.89 -28.24 1.02 Allowed Glycine 0 N--CA 1.493 2.437 0 N-CA-C 109.287 -1.525 . . . . 0.0 109.287 -179.572 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 94.7 m-20 -96.58 110.87 23.19 Favored 'General case' 0 N--CA 1.495 1.782 0 O-C-N 121.292 -1.122 . . . . 0.0 108.846 179.83 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 24' ' ' LYS . . . . . 0.415 ' H ' ' HG2' ' B' ' 24' ' ' LYS . 16.1 pttm -99.77 99.51 10.34 Favored 'General case' 0 N--CA 1.501 2.087 0 O-C-N 121.282 -0.886 . . . . 0.0 110.302 -179.932 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 25' ' ' HIS . . . . . . . . . . . . . 21.4 t-160 -178.45 -47.95 0.01 OUTLIER 'General case' 0 N--CA 1.495 1.818 0 O-C-N 121.48 -0.762 . . . . 0.0 110.293 179.333 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 48.9 pttt -146.27 161.08 41.06 Favored 'General case' 0 N--CA 1.496 1.828 0 O-C-N 121.288 -0.883 . . . . 0.0 110.057 -178.096 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 27' ' ' LEU . . . . . 0.437 HD12 ' N ' ' B' ' 27' ' ' LEU . 5.4 mp -104.78 142.01 35.47 Favored 'General case' 0 N--CA 1.5 2.038 0 O-C-N 121.332 -0.855 . . . . 0.0 109.798 -179.482 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -90.42 176.82 6.57 Favored 'General case' 0 N--CA 1.498 1.947 0 O-C-N 121.141 -0.974 . . . . 0.0 109.106 179.636 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 5.9 mtmp? -59.93 -47.11 87.11 Favored 'General case' 0 N--CA 1.495 1.789 0 O-C-N 120.991 -1.068 . . . . 0.0 110.493 -178.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 47.3 t -62.85 -44.32 96.45 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 121.081 -1.012 . . . . 0.0 109.994 -179.21 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 86.4 tt0 -70.03 -31.95 69.85 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.398 -0.814 . . . . 0.0 110.217 -179.761 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 69.0 tp -59.87 -49.94 75.72 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.16 -0.962 . . . . 0.0 110.122 -178.178 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.59 -38.29 84.15 Favored 'General case' 0 C--N 1.302 -1.484 0 O-C-N 120.971 -1.08 . . . . 0.0 109.74 179.764 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 34' ' ' GLU . . . . . 0.466 ' O ' ' OD1' ' B' ' 38' ' ' ASN . 88.0 tt0 -60.19 -44.23 95.26 Favored 'General case' 0 N--CA 1.494 1.769 0 O-C-N 120.964 -1.085 . . . . 0.0 110.063 -179.578 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 21.1 tp -60.07 -41.27 92.06 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 121.349 -0.845 . . . . 0.0 109.167 -179.682 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 96.7 mt -69.65 -35.93 68.18 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.6 0 O-C-N 121.57 -0.706 . . . . 0.0 110.532 -179.609 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 52.6 t30 -59.77 -46.69 88.41 Favored 'General case' 0 N--CA 1.498 1.938 0 O-C-N 121.018 -1.051 . . . . 0.0 111.404 -177.737 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 38' ' ' ASN . . . . . 0.534 HD22 ' CD ' ' B' ' 39' ' ' GLU . 0.3 OUTLIER -79.76 -17.38 53.6 Favored 'General case' 0 N--CA 1.498 1.957 0 O-C-N 120.705 -1.247 . . . . 0.0 109.86 -179.866 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 39' ' ' GLU . . . . . 0.534 ' CD ' HD22 ' B' ' 38' ' ' ASN . 0.2 OUTLIER -88.53 -74.98 0.44 Allowed 'General case' 0 N--CA 1.496 1.851 0 O-C-N 120.854 -1.154 . . . . 0.0 109.04 179.641 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 5.5 mp -93.45 103.65 15.84 Favored 'General case' 0 N--CA 1.497 1.897 0 O-C-N 121.208 -0.932 . . . . 0.0 109.215 -179.594 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 54.2 p -100.97 -42.69 6.31 Favored 'General case' 0 N--CA 1.496 1.837 0 O-C-N 121.337 -0.852 . . . . 0.0 110.261 179.862 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 42' ' ' HIS . . . . . . . . . . . . . 70.7 t60 -124.35 -12.14 7.34 Favored 'General case' 0 N--CA 1.503 2.216 0 O-C-N 121.332 -0.855 . . . . 0.0 110.495 -178.918 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 43.8 t80 -67.5 -43.08 81.75 Favored 'General case' 0 N--CA 1.496 1.828 0 O-C-N 120.739 -1.226 . . . . 0.0 108.899 -179.587 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 7.9 tp -103.66 132.57 49.79 Favored 'General case' 0 N--CA 1.494 1.752 0 N-CA-C 109.104 -0.702 . . . . 0.0 109.104 -179.621 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 86.8 tt0 -99.7 -10.45 21.91 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.435 -0.79 . . . . 0.0 109.787 -179.577 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 46' ' ' GLU . . . . . 0.42 ' HG3' ' H ' ' B' ' 47' ' ' ILE . 5.4 tp10 -78.32 -164.21 0.53 Allowed 'General case' 0 N--CA 1.493 1.694 0 O-C-N 120.597 -1.314 . . . . 0.0 110.536 -178.659 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 47' ' ' ILE . . . . . 0.42 ' H ' ' HG3' ' B' ' 46' ' ' GLU . 87.4 mt 56.84 72.59 0.1 Allowed 'Isoleucine or valine' 0 N--CA 1.496 1.861 0 O-C-N 121.499 -0.751 . . . . 0.0 109.19 -178.909 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 8.9 pttm -108.8 -43.77 4.17 Favored 'General case' 0 N--CA 1.501 2.12 0 O-C-N 121.493 -0.754 . . . . 0.0 109.93 -179.89 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 13.7 mp0 -111.8 153.84 25.97 Favored 'General case' 0 N--CA 1.506 2.345 0 O-C-N 121.384 -0.822 . . . . 0.0 109.325 179.083 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 3.9 tm0? -60.43 -40.53 91.42 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.605 -0.684 . . . . 0.0 110.573 -179.724 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 4.3 pt-20 -59.98 -39.1 84.52 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 121.07 -1.019 . . . . 0.0 109.527 -179.683 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 56.0 t -60.19 -40.57 83.97 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.375 0 O-C-N 121.252 -0.905 . . . . 0.0 108.698 179.685 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 55.5 t -60.66 -40.4 84.61 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.635 0 O-C-N 121.237 -0.915 . . . . 0.0 109.843 178.956 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 54' ' ' ASP . . . . . 0.499 ' O ' ' OE1' ' B' ' 58' ' ' GLU . 92.7 m-20 -60.16 -41.4 92.75 Favored 'General case' 0 N--CA 1.487 1.415 0 C-N-CA 119.215 -0.994 . . . . 0.0 109.644 -178.357 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 35.4 ttmt -59.97 -40.71 90.02 Favored 'General case' 0 N--CA 1.494 1.742 0 O-C-N 121.055 -1.028 . . . . 0.0 110.145 -179.52 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 54.2 t -60.84 -39.96 83.61 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.633 0 O-C-N 121.396 -0.815 . . . . 0.0 110.512 -179.125 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 57' ' ' MET . . . . . . . . . . . . . 31.7 ttm -60.18 -51.44 69.57 Favored 'General case' 0 N--CA 1.496 1.864 0 O-C-N 121.306 -0.871 . . . . 0.0 111.741 -178.53 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 58' ' ' GLU . . . . . 0.499 ' OE1' ' O ' ' B' ' 54' ' ' ASP . 9.8 mp0 -59.96 -40.37 88.82 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 120.98 -1.075 . . . . 0.0 109.434 -179.724 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 95.2 m -63.99 -49.98 70.35 Favored 'General case' 0 C--N 1.301 -1.503 0 C-N-CA 119.499 -0.88 . . . . 0.0 109.16 179.847 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 13.9 tp -68.87 -50.76 47.04 Favored 'General case' 0 C--N 1.302 -1.483 0 O-C-N 121.468 -0.77 . . . . 0.0 109.533 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 18.8 m-20 -81.74 105.04 12.56 Favored 'General case' 0 N--CA 1.498 1.93 0 O-C-N 121.099 -1.001 . . . . 0.0 110.531 -179.597 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 53.9 tp10 -70.0 -33.33 71.89 Favored 'General case' 0 N--CA 1.498 1.956 0 O-C-N 121.278 -0.889 . . . . 0.0 109.444 179.316 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 7.8 p30 -85.68 -5.82 59.21 Favored 'General case' 0 N--CA 1.499 1.989 0 O-C-N 121.285 -0.884 . . . . 0.0 110.136 -179.492 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 49.55 49.53 32.92 Favored Glycine 0 N--CA 1.493 2.462 0 N-CA-C 109.47 -1.452 . . . . 0.0 109.47 -179.281 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 94.3 m-20 -70.05 -19.55 63.28 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 120.95 -1.323 . . . . 0.0 109.507 -179.734 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 89.93 -10.73 72.89 Favored Glycine 0 N--CA 1.497 2.716 0 N-CA-C 110.435 -1.066 . . . . 0.0 110.435 178.774 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -134.53 148.62 50.55 Favored 'General case' 0 N--CA 1.498 1.95 0 O-C-N 121.34 -1.094 . . . . 0.0 108.721 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 68' ' ' CYS . . . . . . . . . . . . . 11.4 p -106.67 118.9 37.89 Favored 'General case' 0 N--CA 1.5 2.035 0 O-C-N 121.286 -0.884 . . . . 0.0 110.362 -179.098 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 24.9 p30 -89.94 -178.32 5.43 Favored 'General case' 0 N--CA 1.495 1.802 0 O-C-N 121.133 -0.98 . . . . 0.0 108.804 178.853 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 76.7 t80 -59.62 -47.43 85.62 Favored 'General case' 0 N--CA 1.496 1.827 0 O-C-N 121.249 -0.907 . . . . 0.0 111.349 -178.514 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 71' ' ' GLN . . . . . 0.408 ' HG2' ' H ' ' B' ' 71' ' ' GLN . 1.5 pt20 -59.84 -48.7 80.61 Favored 'General case' 0 N--CA 1.494 1.74 0 O-C-N 120.667 -1.271 . . . . 0.0 109.973 -178.665 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 94.7 mt-10 -62.76 -36.67 83.82 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 120.802 -1.186 . . . . 0.0 109.085 179.613 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 73' ' ' PHE . . . . . . . . . . . . . 89.2 t80 -60.02 -44.61 94.5 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.606 -0.684 . . . . 0.0 109.179 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 74' ' ' MET . . . . . . . . . . . . . 3.9 ttt -60.37 -38.83 85.11 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.299 -0.876 . . . . 0.0 109.205 179.294 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -59.36 -40.07 85.26 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.144 -0.973 . . . . 0.0 109.239 -179.118 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 54.6 t80 -59.95 -49.29 78.28 Favored 'General case' 0 C--N 1.302 -1.496 0 O-C-N 121.352 -0.842 . . . . 0.0 109.455 179.535 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 77' ' ' VAL . . . . . . . . . . . . . 54.6 t -61.99 -46.6 96.12 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.517 0 O-C-N 121.258 -0.901 . . . . 0.0 108.759 179.55 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 78' ' ' SER . . . . . . . . . . . . . 57.0 m -61.48 -43.86 98.12 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.408 -0.808 . . . . 0.0 109.845 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 79' ' ' MET . . . . . . . . . . . . . 7.1 ttp -60.4 -49.58 77.0 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.168 -0.957 . . . . 0.0 109.493 179.66 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 73.8 t -68.66 -41.17 82.55 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.51 0 O-C-N 121.467 -0.77 . . . . 0.0 109.338 -179.687 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 92.0 m -62.67 -40.33 96.74 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.305 -0.872 . . . . 0.0 109.463 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 89.9 m -69.39 -43.57 73.23 Favored 'General case' 0 N--CA 1.494 1.761 0 O-C-N 121.408 -0.807 . . . . 0.0 110.636 -179.228 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -60.96 -48.37 82.13 Favored 'General case' 0 N--CA 1.495 1.776 0 O-C-N 120.99 -1.069 . . . . 0.0 109.696 -179.373 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 84' ' ' CYS . . . . . 0.507 ' SG ' ' O ' ' B' ' 84' ' ' CYS . 29.6 p -80.57 105.57 11.92 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 121.185 -0.947 . . . . 0.0 108.945 179.74 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 85' ' ' HIS . . . . . . . . . . . . . 6.5 t60 -61.21 -39.99 92.31 Favored 'General case' 0 C--N 1.302 -1.483 0 O-C-N 121.136 -0.977 . . . . 0.0 109.778 -179.511 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -153.29 -76.7 0.12 Allowed 'General case' 0 N--CA 1.496 1.869 0 N-CA-C 108.0 -1.111 . . . . 0.0 108.0 179.608 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 87' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER 58.72 19.67 7.07 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.506 -0.746 . . . . 0.0 109.607 179.284 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 88' ' ' PHE . . . . . 0.541 ' O ' ' CD1' ' B' ' 88' ' ' PHE . 0.2 OUTLIER -87.38 141.62 28.5 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.066 -1.021 . . . . 0.0 109.428 179.849 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 89' ' ' GLU . . . . . 0.535 ' O ' ' O ' ' B' ' 88' ' ' PHE . 11.0 pt-20 44.9 170.56 0.0 OUTLIER 'General case' 0 N--CA 1.499 1.984 0 CA-C-O 122.48 1.133 . . . . 0.0 112.236 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 90' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -76.8 158.87 30.55 Favored 'General case' 0 N--CA 1.488 1.464 0 O-C-N 121.389 -0.819 . . . . 0.0 109.893 -179.606 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 41.6 mt-10 . . . . . 0 N--CA 1.492 1.675 0 CA-C-O 117.848 -1.072 . . . . 0.0 108.979 178.909 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 93' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 17.7 tpt . . . . . 0 N--CA 1.489 1.493 0 N-CA-C 108.837 -0.801 . . . . 0.0 108.837 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 25.9 t -122.79 118.74 28.7 Favored 'General case' 0 N--CA 1.498 1.948 0 O-C-N 121.51 -0.744 . . . . 0.0 109.152 179.527 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 81.3 mm-40 -68.28 -38.06 81.31 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.282 -0.886 . . . . 0.0 109.231 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 6.4 tp -60.04 -43.45 95.32 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.249 -0.907 . . . . 0.0 109.103 -179.813 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 40.5 tt0 -63.81 -39.94 95.44 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.237 -0.914 . . . . 0.0 110.294 -179.792 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 3.2 ttmp? -60.11 -41.41 92.54 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.018 -1.051 . . . . 0.0 108.742 -179.691 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . 0.481 ' HB1' ' HB1' ' B' ' 6' ' ' ALA . . . -61.98 -40.01 94.12 Favored 'General case' 0 C--N 1.303 -1.439 0 O-C-N 121.376 -0.827 . . . . 0.0 109.3 179.712 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 91.1 mmm -60.11 -39.94 87.94 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.203 -0.936 . . . . 0.0 109.833 -179.636 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 54.4 t -67.6 -40.1 83.53 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.661 0 O-C-N 121.095 -1.003 . . . . 0.0 109.873 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -63.07 -41.47 99.45 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.267 -0.896 . . . . 0.0 110.57 -179.184 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 8.3 mp -60.06 -46.32 89.94 Favored 'General case' 0 N--CA 1.494 1.766 0 O-C-N 120.957 -1.089 . . . . 0.0 109.284 -179.677 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 90.5 mt -65.75 -41.11 89.63 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.539 0 O-C-N 121.299 -0.875 . . . . 0.0 109.539 -179.901 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . 0.423 ' OD2' ' OE1' ' B' ' 91' ' ' GLU . 22.3 t0 -62.66 -49.5 74.9 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.448 -0.782 . . . . 0.0 111.142 -178.881 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 55.9 t -61.24 -41.16 88.53 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.701 0 O-C-N 121.041 -1.037 . . . . 0.0 110.36 -178.551 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . 0.455 ' CZ ' HD23 ' A' ' 27' ' ' LEU . 30.6 t80 -60.1 -52.05 67.02 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.251 -0.906 . . . . 0.0 111.729 -178.674 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 12.3 t-80 -81.84 -36.15 28.61 Favored 'General case' 0 N--CA 1.497 1.919 0 O-C-N 121.061 -1.024 . . . . 0.0 112.613 -178.081 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 66.6 tt0 -60.01 -54.44 45.96 Favored 'General case' 0 N--CA 1.494 1.739 0 O-C-N 120.87 -1.144 . . . . 0.0 113.013 -176.096 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . 0.49 ' O ' ' CD1' ' A' ' 17' ' ' TYR . 8.5 t80 -82.12 -20.79 37.34 Favored 'General case' 0 N--CA 1.501 2.081 0 O-C-N 120.707 -1.245 . . . . 0.0 112.422 -176.889 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 35.4 t -66.14 -44.77 83.25 Favored 'General case' 0 N--CA 1.497 1.914 0 O-C-N 120.753 -1.217 . . . . 0.0 113.145 -177.554 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -81.06 -11.46 83.67 Favored Glycine 0 N--CA 1.5 2.905 0 O-C-N 120.504 -1.373 . . . . 0.0 112.365 -177.283 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 28.7 mmt180 -60.58 -50.35 73.87 Favored 'General case' 0 N--CA 1.497 1.884 0 O-C-N 120.393 -1.651 . . . . 0.0 110.458 -178.858 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 85.2 tt0 -172.27 -18.47 0.01 OUTLIER 'General case' 0 N--CA 1.494 1.766 0 O-C-N 121.212 -0.93 . . . . 0.0 109.838 -179.411 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -57.07 -49.96 67.85 Favored Glycine 0 N--CA 1.491 2.335 0 N-CA-C 109.955 -1.258 . . . . 0.0 109.955 -179.39 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . 0.501 ' OD1' ' N ' ' A' ' 24' ' ' LYS . 9.4 t70 -162.78 168.52 21.32 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.133 -1.216 . . . . 0.0 109.686 -179.877 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . 0.501 ' N ' ' OD1' ' A' ' 23' ' ' ASP . 17.2 ttmm -85.18 100.07 11.5 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.08 -1.013 . . . . 0.0 110.905 -179.063 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 9.6 t60 39.4 26.82 0.02 OUTLIER 'General case' 0 N--CA 1.495 1.805 0 O-C-N 121.715 -0.616 . . . . 0.0 111.801 178.01 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.438 ' N ' ' O ' ' A' ' 24' ' ' LYS . 86.2 mttt -146.0 160.93 41.18 Favored 'General case' 0 N--CA 1.502 2.126 0 O-C-N 120.728 -1.233 . . . . 0.0 108.944 178.815 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.455 HD23 ' CZ ' ' A' ' 14' ' ' PHE . 3.3 mm? -104.4 129.98 52.31 Favored 'General case' 0 N--CA 1.501 2.095 0 O-C-N 121.245 -0.909 . . . . 0.0 109.584 -179.738 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 40.4 mmtt -124.43 161.15 26.62 Favored 'General case' 0 N--CA 1.498 1.937 0 N-CA-C 108.11 -1.07 . . . . 0.0 108.11 179.16 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.0 -24.57 2.68 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.088 -1.008 . . . . 0.0 110.278 -179.428 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 51.7 p -64.69 -42.2 95.48 Favored 'General case' 0 N--CA 1.495 1.808 0 O-C-N 120.937 -1.102 . . . . 0.0 110.953 -179.379 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 37.0 mt-10 -68.1 -35.65 78.49 Favored 'General case' 0 N--CA 1.497 1.907 0 O-C-N 120.792 -1.192 . . . . 0.0 110.66 -179.449 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.536 HD12 ' N ' ' A' ' 32' ' ' LEU . 10.8 mp -59.88 -41.46 91.63 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 120.93 -1.106 . . . . 0.0 109.199 -179.144 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 86.5 tttt -59.86 -41.85 92.41 Favored 'General case' 0 C--N 1.301 -1.504 0 O-C-N 120.946 -1.096 . . . . 0.0 109.265 179.251 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . 0.445 ' OE1' ' ND2' ' A' ' 38' ' ' ASN . 1.9 mm-40 -66.23 -51.64 55.6 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.232 -0.918 . . . . 0.0 109.66 -179.927 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 70.5 mt -60.11 -46.83 88.29 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.139 -0.976 . . . . 0.0 109.306 -179.74 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.503 ' O ' ' O ' ' A' ' 40' ' ' LEU . 96.6 mt -62.69 -39.43 84.71 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.445 0 O-C-N 121.447 -0.783 . . . . 0.0 109.856 -179.852 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 59.0 t-20 -75.89 -57.34 3.94 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.105 -0.997 . . . . 0.0 111.708 -178.696 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . 0.445 ' ND2' ' OE1' ' A' ' 34' ' ' GLU . 98.6 m-20 -80.18 -69.36 0.6 Allowed 'General case' 0 N--CA 1.498 1.958 0 O-C-N 120.965 -1.084 . . . . 0.0 112.659 -177.399 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 30.5 tt0 -57.16 -84.59 0.01 OUTLIER 'General case' 0 N--CA 1.497 1.902 0 O-C-N 120.956 -1.09 . . . . 0.0 111.163 -177.129 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.503 ' O ' ' O ' ' A' ' 36' ' ' ILE . 3.8 mm? -71.55 147.85 47.26 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 120.711 -1.243 . . . . 0.0 108.838 -179.925 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 5.1 t -166.81 -18.52 0.02 OUTLIER 'General case' 0 C--N 1.299 -1.597 0 O-C-N 121.259 -0.901 . . . . 0.0 109.894 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 60.2 t-80 -75.35 -57.57 3.81 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.111 -0.993 . . . . 0.0 111.026 -179.115 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 70.8 m-85 -69.93 -42.06 73.78 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.21 -0.931 . . . . 0.0 111.275 -178.13 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 23.2 mt -121.78 132.8 54.8 Favored 'General case' 0 N--CA 1.503 2.202 0 O-C-N 121.347 -0.846 . . . . 0.0 109.485 -179.429 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 61.8 tt0 -162.2 23.12 0.11 Allowed 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.124 -0.985 . . . . 0.0 109.437 179.923 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 69.4 mm-40 -102.15 13.86 33.54 Favored 'General case' 0 N--CA 1.501 2.075 0 O-C-N 121.156 -0.965 . . . . 0.0 110.722 -179.231 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 30.3 mm -68.28 96.49 0.35 Allowed 'Isoleucine or valine' 0 N--CA 1.488 1.458 0 O-C-N 120.648 -1.282 . . . . 0.0 108.911 -179.627 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 68.6 mttm -116.67 -28.38 6.4 Favored 'General case' 0 N--CA 1.496 1.847 0 N-CA-C 109.076 -0.712 . . . . 0.0 109.076 179.821 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -129.94 150.08 51.39 Favored 'General case' 0 N--CA 1.498 1.956 0 O-C-N 121.651 -0.656 . . . . 0.0 109.957 -179.22 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . 0.473 ' CD ' ' N ' ' A' ' 50' ' ' GLN . 14.8 mp0 -69.98 -25.28 63.54 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.484 -0.76 . . . . 0.0 109.349 179.616 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 71.3 mm-40 -59.98 -40.01 87.66 Favored 'General case' 0 N--CA 1.488 1.426 0 O-C-N 121.318 -0.864 . . . . 0.0 109.408 -179.358 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 54.6 t -65.86 -40.99 89.14 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.511 0 O-C-N 121.197 -0.939 . . . . 0.0 109.023 179.643 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 60.7 t -60.85 -44.59 98.0 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.584 0 O-C-N 121.331 -0.856 . . . . 0.0 109.478 -179.629 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 12.8 t0 -60.05 -43.43 95.37 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.176 -0.953 . . . . 0.0 109.652 -179.892 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 61.0 mttp -64.29 -40.06 95.19 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.165 -0.96 . . . . 0.0 109.662 -179.702 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 54.8 t -60.65 -40.95 86.33 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.507 0 O-C-N 121.26 -0.9 . . . . 0.0 109.373 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 86.3 mtp -65.35 -40.03 93.1 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.35 -0.844 . . . . 0.0 110.058 -179.351 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 88.8 tt0 -62.81 -42.91 99.92 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.167 -0.958 . . . . 0.0 109.703 -179.562 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 94.7 m -64.35 -50.16 68.85 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.155 -0.966 . . . . 0.0 109.744 -179.645 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 61.5 tp -63.09 -49.8 73.04 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.304 -0.872 . . . . 0.0 110.124 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 96.3 m-20 -80.49 108.95 14.55 Favored 'General case' 0 C--N 1.302 -1.475 0 O-C-N 121.397 -0.814 . . . . 0.0 109.97 -178.562 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 81.1 tt0 -67.93 -40.01 83.39 Favored 'General case' 0 N--CA 1.486 1.366 0 O-C-N 121.281 -0.887 . . . . 0.0 108.646 179.034 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . 0.432 ' OD1' ' N ' ' A' ' 63' ' ' ASP . 18.3 p-10 -74.14 -50.47 19.26 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.376 -0.828 . . . . 0.0 109.383 179.51 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 82.41 53.51 3.6 Favored Glycine 0 N--CA 1.493 2.439 0 N-CA-C 110.463 -1.055 . . . . 0.0 110.463 179.5 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 39.9 p-10 -80.6 -5.65 57.15 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 120.891 -1.358 . . . . 0.0 109.2 179.626 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 73.45 18.21 79.28 Favored Glycine 0 N--CA 1.493 2.487 0 N-CA-C 110.311 -1.116 . . . . 0.0 110.311 179.197 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 93.3 mt-10 -134.97 149.15 50.17 Favored 'General case' 0 N--CA 1.499 1.999 0 O-C-N 121.256 -1.143 . . . . 0.0 108.864 -179.897 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 3.8 m -109.47 108.05 18.4 Favored 'General case' 0 N--CA 1.5 2.036 0 O-C-N 121.457 -0.777 . . . . 0.0 109.641 -179.912 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 94.3 m-20 -98.57 171.68 7.98 Favored 'General case' 0 N--CA 1.496 1.827 0 O-C-N 121.481 -0.762 . . . . 0.0 109.535 179.645 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 47.8 t80 -59.91 -40.2 88.0 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.328 -0.857 . . . . 0.0 109.195 179.266 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 63.0 tt0 -60.06 -40.75 90.54 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.246 -0.909 . . . . 0.0 109.481 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 72.3 mt-10 -70.04 -35.69 74.48 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.307 -0.871 . . . . 0.0 110.39 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 70.6 t80 -59.96 -42.08 93.3 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.108 -0.995 . . . . 0.0 109.507 -179.527 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' MET . . . . . 0.461 ' SD ' ' O ' ' A' ' 74' ' ' MET . 0.0 OUTLIER -59.97 -39.97 87.48 Favored 'General case' 0 C--N 1.301 -1.543 0 O-C-N 121.218 -0.926 . . . . 0.0 108.549 179.267 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -59.99 -37.25 79.09 Favored 'General case' 0 N--CA 1.494 1.769 0 O-C-N 121.523 -0.736 . . . . 0.0 110.722 -179.754 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 45.2 t80 -60.0 -42.34 94.05 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 120.862 -1.149 . . . . 0.0 110.013 -178.899 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 84.6 t -63.77 -41.83 93.9 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.523 0 O-C-N 121.036 -1.04 . . . . 0.0 109.859 -179.639 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 95.0 p -61.13 -40.04 92.3 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.442 -0.786 . . . . 0.0 110.137 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 32.5 ttp -59.91 -40.03 87.44 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.281 -0.887 . . . . 0.0 110.408 -178.938 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 55.2 t -60.08 -40.63 83.85 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.538 0 O-C-N 121.044 -1.035 . . . . 0.0 109.879 -178.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 31.4 p -67.07 -39.93 86.93 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.086 -1.009 . . . . 0.0 110.136 -179.541 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 36.8 p -64.33 -40.06 95.14 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.164 -0.96 . . . . 0.0 110.309 -179.559 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -79.55 -14.17 59.03 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.117 -0.99 . . . . 0.0 109.595 -179.665 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 12.7 t -57.42 156.55 7.74 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.31 -0.869 . . . . 0.0 110.047 -179.662 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 16.9 p-80 -87.96 -145.02 0.14 Allowed 'General case' 0 N--CA 1.494 1.733 0 O-C-N 121.272 -0.892 . . . . 0.0 108.969 179.58 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 53.2 tp10 -130.24 -23.87 2.64 Favored 'General case' 0 N--CA 1.502 2.171 0 O-C-N 120.866 -1.146 . . . . 0.0 110.784 -178.757 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 13.1 m-85 -80.6 68.52 6.84 Favored 'General case' 0 N--CA 1.497 1.916 0 O-C-N 120.755 -1.215 . . . . 0.0 110.471 -179.287 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 2.7 t80 -174.64 24.89 0.01 OUTLIER 'General case' 0 N--CA 1.494 1.766 0 O-C-N 121.114 -0.991 . . . . 0.0 109.094 178.847 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 99.5 mt-10 -98.2 7.53 46.13 Favored 'General case' 0 N--CA 1.494 1.77 0 O-C-N 121.365 -0.834 . . . . 0.0 110.47 -178.811 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' HIS . . . . . 0.48 ' CG ' ' O ' ' A' ' 90' ' ' HIS . 49.4 t60 -102.53 -1.0 31.32 Favored 'General case' 0 N--CA 1.501 2.121 0 O-C-N 121.165 -0.96 . . . . 0.0 110.855 -179.072 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . 0.423 ' OE1' ' OD2' ' B' ' 12' ' ' ASP . 87.2 tt0 . . . . . 0 N--CA 1.499 1.991 0 O-C-N 120.877 -1.14 . . . . 0.0 109.177 -179.059 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 0' ' ' MET . . . . . . . . . . . . . 18.3 tpt . . . . . 0 N--CA 1.49 1.545 0 N-CA-C 109.059 -0.719 . . . . 0.0 109.059 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 21.7 t -123.11 118.62 28.12 Favored 'General case' 0 N--CA 1.498 1.926 0 O-C-N 121.486 -0.759 . . . . 0.0 108.993 179.542 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 81.3 mm-40 -67.96 -38.12 82.4 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.291 -0.881 . . . . 0.0 109.18 179.906 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 5.8 tp -59.95 -43.62 94.91 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.296 -0.877 . . . . 0.0 109.185 -179.698 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 40.5 tt0 -63.65 -40.0 95.76 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 121.303 -0.873 . . . . 0.0 110.185 -179.819 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 3.3 ttmp? -59.99 -41.41 91.98 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.049 -1.032 . . . . 0.0 108.805 -179.632 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 6' ' ' ALA . . . . . 0.481 ' HB1' ' HB1' ' A' ' 6' ' ' ALA . . . -62.1 -40.02 94.45 Favored 'General case' 0 C--N 1.302 -1.463 0 O-C-N 121.365 -0.834 . . . . 0.0 109.441 179.645 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 7' ' ' MET . . . . . . . . . . . . . 92.0 mmm -60.0 -39.98 87.64 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.222 -0.924 . . . . 0.0 109.669 -179.806 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 54.5 t -67.97 -40.1 82.74 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.529 0 O-C-N 121.184 -0.947 . . . . 0.0 109.776 -179.766 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -63.02 -41.15 99.47 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.136 -0.978 . . . . 0.0 110.654 -179.391 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 8.4 mp -60.08 -46.56 89.17 Favored 'General case' 0 N--CA 1.495 1.8 0 O-C-N 120.921 -1.112 . . . . 0.0 109.175 -179.801 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 95.8 mt -65.45 -41.36 90.86 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.541 0 O-C-N 121.178 -0.951 . . . . 0.0 109.598 -179.825 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 12' ' ' ASP . . . . . 0.423 ' OD2' ' OE1' ' A' ' 91' ' ' GLU . 23.0 t0 -62.48 -49.38 75.61 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.385 -0.822 . . . . 0.0 111.116 -178.747 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 53.7 t -61.42 -41.11 88.66 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.675 0 O-C-N 121.155 -0.965 . . . . 0.0 110.356 -178.45 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 14' ' ' PHE . . . . . 0.405 ' CD1' ' C ' ' B' ' 14' ' ' PHE . 29.4 t80 -59.93 -51.57 69.14 Favored 'General case' 0 N--CA 1.494 1.743 0 O-C-N 121.32 -0.863 . . . . 0.0 111.761 -178.684 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 12.8 t-80 -82.6 -36.1 26.45 Favored 'General case' 0 N--CA 1.497 1.892 0 O-C-N 121.007 -1.058 . . . . 0.0 112.58 -177.885 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 66.5 tt0 -60.01 -54.44 46.05 Favored 'General case' 0 N--CA 1.494 1.763 0 O-C-N 120.871 -1.143 . . . . 0.0 112.994 -176.252 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 17' ' ' TYR . . . . . 0.495 ' CD1' ' O ' ' B' ' 17' ' ' TYR . 8.7 t80 -82.12 -20.67 37.57 Favored 'General case' 0 N--CA 1.501 2.107 0 O-C-N 120.747 -1.221 . . . . 0.0 112.604 -176.861 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 18' ' ' SER . . . . . 0.402 ' O ' ' O ' ' B' ' 23' ' ' ASP . 38.3 t -66.37 -44.45 83.13 Favored 'General case' 0 N--CA 1.498 1.942 0 O-C-N 120.81 -1.182 . . . . 0.0 113.037 -177.61 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -80.92 -12.16 82.99 Favored Glycine 0 N--CA 1.499 2.863 0 O-C-N 120.494 -1.378 . . . . 0.0 112.472 -177.257 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 28.8 mmt180 -60.37 -50.02 75.26 Favored 'General case' 0 N--CA 1.496 1.866 0 O-C-N 120.532 -1.569 . . . . 0.0 110.469 -178.584 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 84.9 tt0 -172.6 -18.3 0.01 OUTLIER 'General case' 0 N--CA 1.494 1.764 0 O-C-N 121.138 -0.976 . . . . 0.0 109.686 -179.421 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . -57.12 -49.76 69.55 Favored Glycine 0 N--CA 1.491 2.366 0 N-CA-C 110.057 -1.217 . . . . 0.0 110.057 -179.458 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 23' ' ' ASP . . . . . 0.477 ' OD1' ' N ' ' B' ' 24' ' ' LYS . 9.5 t70 -163.24 168.12 21.05 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.123 -1.222 . . . . 0.0 109.608 -179.922 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 24' ' ' LYS . . . . . 0.477 ' N ' ' OD1' ' B' ' 23' ' ' ASP . 17.1 ttmm -84.85 99.99 11.27 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.285 -0.885 . . . . 0.0 111.046 -178.889 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 25' ' ' HIS . . . . . . . . . . . . . 9.3 t60 39.55 26.99 0.02 OUTLIER 'General case' 0 N--CA 1.495 1.796 0 O-C-N 121.744 -0.598 . . . . 0.0 111.78 177.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 26' ' ' LYS . . . . . 0.43 ' N ' ' O ' ' B' ' 24' ' ' LYS . 86.1 mttt -146.28 160.84 41.46 Favored 'General case' 0 N--CA 1.5 2.058 0 O-C-N 120.665 -1.272 . . . . 0.0 108.93 178.88 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 2.0 mm? -104.75 130.43 52.82 Favored 'General case' 0 N--CA 1.498 1.97 0 O-C-N 121.149 -0.969 . . . . 0.0 109.596 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 33.9 mmtt -124.04 161.11 26.2 Favored 'General case' 0 N--CA 1.497 1.884 0 N-CA-C 108.208 -1.034 . . . . 0.0 108.208 179.155 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -49.96 -24.64 2.69 Favored 'General case' 0 N--CA 1.493 1.675 0 O-C-N 121.096 -1.003 . . . . 0.0 110.323 -179.585 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 52.4 p -64.78 -41.8 95.56 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 120.897 -1.127 . . . . 0.0 110.987 -179.204 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 34.4 mt-10 -68.28 -35.47 77.92 Favored 'General case' 0 N--CA 1.496 1.847 0 O-C-N 121.024 -1.048 . . . . 0.0 110.636 -179.332 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 32' ' ' LEU . . . . . 0.524 ' N ' HD12 ' B' ' 32' ' ' LEU . 10.8 mp -59.91 -41.49 91.79 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 120.823 -1.173 . . . . 0.0 109.263 -179.202 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 86.4 tttt -59.99 -42.57 94.5 Favored 'General case' 0 C--N 1.302 -1.489 0 O-C-N 120.987 -1.07 . . . . 0.0 109.07 179.503 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 34' ' ' GLU . . . . . 0.455 ' OE1' ' ND2' ' B' ' 38' ' ' ASN . 1.9 mm-40 -65.46 -51.48 59.84 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.214 -0.928 . . . . 0.0 109.655 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 61.3 mt -60.58 -46.66 89.42 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.014 -1.054 . . . . 0.0 109.393 -179.707 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 36' ' ' ILE . . . . . 0.51 ' O ' ' O ' ' B' ' 40' ' ' LEU . 97.0 mt -62.61 -39.37 84.35 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.499 0 O-C-N 121.437 -0.79 . . . . 0.0 109.782 -179.83 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 57.4 t-20 -76.16 -57.14 4.04 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 120.941 -1.099 . . . . 0.0 111.753 -178.52 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 38' ' ' ASN . . . . . 0.455 ' ND2' ' OE1' ' B' ' 34' ' ' GLU . 98.6 m-20 -79.94 -69.41 0.59 Allowed 'General case' 0 N--CA 1.496 1.848 0 O-C-N 120.947 -1.096 . . . . 0.0 112.731 -177.699 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 31.5 tt0 -57.34 -84.5 0.01 OUTLIER 'General case' 0 N--CA 1.497 1.902 0 O-C-N 121.029 -1.045 . . . . 0.0 111.165 -176.946 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 40' ' ' LEU . . . . . 0.51 ' O ' ' O ' ' B' ' 36' ' ' ILE . 4.0 mm? -71.26 147.56 48.05 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 120.792 -1.193 . . . . 0.0 108.651 -179.835 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 5.5 t -166.75 -18.6 0.02 OUTLIER 'General case' 0 C--N 1.3 -1.562 0 O-C-N 121.148 -0.97 . . . . 0.0 109.923 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 42' ' ' HIS . . . . . . . . . . . . . 60.1 t-80 -75.45 -57.65 3.76 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.155 -0.966 . . . . 0.0 111.0 -178.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 72.1 m-85 -69.91 -42.16 73.72 Favored 'General case' 0 N--CA 1.494 1.749 0 O-C-N 121.226 -0.921 . . . . 0.0 111.234 -178.199 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 33.2 mt -121.53 132.5 54.74 Favored 'General case' 0 N--CA 1.504 2.227 0 O-C-N 121.424 -0.798 . . . . 0.0 109.555 -179.219 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 60.3 tt0 -162.19 23.27 0.11 Allowed 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.136 -0.977 . . . . 0.0 109.474 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 69.4 mm-40 -102.28 14.04 33.02 Favored 'General case' 0 N--CA 1.498 1.935 0 O-C-N 121.184 -0.947 . . . . 0.0 110.595 -179.339 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 29.5 mm -68.54 96.97 0.39 Allowed 'Isoleucine or valine' 0 N--CA 1.488 1.462 0 O-C-N 120.554 -1.341 . . . . 0.0 108.95 -179.662 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 68.7 mttm -117.05 -28.22 6.3 Favored 'General case' 0 N--CA 1.497 1.907 0 N-CA-C 109.007 -0.738 . . . . 0.0 109.007 179.666 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -129.97 150.05 51.42 Favored 'General case' 0 N--CA 1.498 1.934 0 O-C-N 121.588 -0.695 . . . . 0.0 109.82 -179.219 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 50' ' ' GLN . . . . . 0.491 ' N ' ' CD ' ' B' ' 50' ' ' GLN . 15.0 mp0 -69.99 -25.36 63.57 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.506 -0.747 . . . . 0.0 109.319 179.53 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 71.2 mm-40 -60.03 -40.01 87.86 Favored 'General case' 0 C--N 1.303 -1.42 0 O-C-N 121.32 -0.863 . . . . 0.0 109.272 -179.298 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 54.2 t -65.91 -40.9 88.79 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.503 0 O-C-N 121.091 -1.005 . . . . 0.0 109.114 179.566 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 67.2 t -60.96 -44.44 98.09 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.48 0 O-C-N 121.215 -0.928 . . . . 0.0 109.472 -179.656 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 54' ' ' ASP . . . . . 0.404 ' C ' ' OD1' ' B' ' 54' ' ' ASP . 12.5 t0 -60.05 -43.7 95.18 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.182 -0.949 . . . . 0.0 109.421 -179.813 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 60.6 mttp -63.96 -40.02 95.46 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.051 -1.031 . . . . 0.0 109.78 -179.694 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 54.2 t -60.66 -40.5 84.92 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.525 0 O-C-N 121.239 -0.913 . . . . 0.0 109.376 -179.898 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 57' ' ' MET . . . . . . . . . . . . . 81.5 mtp -65.64 -40.21 92.25 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.376 -0.827 . . . . 0.0 110.004 -179.328 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -62.29 -43.52 98.63 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.152 -0.967 . . . . 0.0 109.755 -179.699 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 96.7 m -63.82 -50.1 70.23 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.281 -0.887 . . . . 0.0 109.92 -179.747 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 64.1 tp -63.16 -49.72 73.23 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.357 -0.839 . . . . 0.0 110.159 179.881 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 96.1 m-20 -80.56 108.53 14.28 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.38 -0.825 . . . . 0.0 110.112 -178.454 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 82.6 tt0 -67.67 -39.94 84.5 Favored 'General case' 0 C--N 1.301 -1.508 0 N-CA-C 108.629 -0.878 . . . . 0.0 108.629 179.081 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 63' ' ' ASP . . . . . 0.458 ' N ' ' OD1' ' B' ' 63' ' ' ASP . 18.3 p-10 -74.17 -50.19 20.35 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.46 -0.775 . . . . 0.0 109.416 179.544 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 82.34 53.0 3.78 Favored Glycine 0 N--CA 1.492 2.411 0 C-N-CA 120.154 -1.022 . . . . 0.0 110.633 179.514 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 39.1 p-10 -80.34 -5.72 56.83 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 120.952 -1.322 . . . . 0.0 109.282 179.603 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 73.06 18.91 79.41 Favored Glycine 0 N--CA 1.494 2.537 0 N-CA-C 110.28 -1.128 . . . . 0.0 110.28 179.215 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 93.1 mt-10 -135.32 148.82 49.59 Favored 'General case' 0 N--CA 1.498 1.933 0 O-C-N 121.242 -1.152 . . . . 0.0 108.855 -179.852 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 68' ' ' CYS . . . . . . . . . . . . . 3.7 m -109.12 108.27 18.87 Favored 'General case' 0 N--CA 1.501 2.108 0 O-C-N 121.366 -0.834 . . . . 0.0 109.765 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 95.0 m-20 -98.69 171.76 7.9 Favored 'General case' 0 N--CA 1.496 1.827 0 O-C-N 121.453 -0.78 . . . . 0.0 109.512 179.598 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 50.6 t80 -59.92 -40.38 88.64 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.221 -0.924 . . . . 0.0 109.077 179.389 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 63.0 tt0 -59.97 -40.73 90.12 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.234 -0.916 . . . . 0.0 109.25 -179.853 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 70.7 mt-10 -70.06 -35.93 74.59 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.214 -0.929 . . . . 0.0 110.231 -179.837 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 73' ' ' PHE . . . . . . . . . . . . . 69.3 t80 -60.0 -41.77 92.82 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.026 -1.046 . . . . 0.0 109.616 -179.459 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 74' ' ' MET . . . . . 0.477 ' SD ' ' O ' ' B' ' 74' ' ' MET . 0.0 OUTLIER -60.08 -39.98 87.94 Favored 'General case' 0 C--N 1.302 -1.487 0 O-C-N 121.26 -0.9 . . . . 0.0 108.593 179.382 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -60.09 -37.2 79.24 Favored 'General case' 0 N--CA 1.494 1.751 0 O-C-N 121.613 -0.679 . . . . 0.0 110.657 -179.684 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 44.1 t80 -60.07 -42.23 94.1 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 120.878 -1.139 . . . . 0.0 109.994 -178.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 77' ' ' VAL . . . . . . . . . . . . . 90.0 t -63.83 -41.73 93.51 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.55 0 O-C-N 121.021 -1.049 . . . . 0.0 109.808 -179.537 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 78' ' ' SER . . . . . . . . . . . . . 97.3 p -61.55 -39.61 91.71 Favored 'General case' 0 N--CA 1.494 1.754 0 O-C-N 121.305 -0.872 . . . . 0.0 110.184 -179.872 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 79' ' ' MET . . . . . . . . . . . . . 32.1 ttp -60.0 -39.97 87.61 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.386 -0.822 . . . . 0.0 110.159 -178.761 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 68.9 t -60.05 -41.06 85.06 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.655 0 O-C-N 121.069 -1.019 . . . . 0.0 109.803 -179.128 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 27.9 p -66.5 -39.96 88.97 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.144 -0.973 . . . . 0.0 110.239 -179.699 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 36.4 p -64.68 -39.97 94.59 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.18 -0.95 . . . . 0.0 110.27 -179.517 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -79.27 -14.33 59.1 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.097 -1.002 . . . . 0.0 109.657 -179.696 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 84' ' ' CYS . . . . . . . . . . . . . 11.9 t -57.35 156.63 7.45 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.28 -0.888 . . . . 0.0 110.085 -179.561 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 85' ' ' HIS . . . . . . . . . . . . . 16.1 p-80 -88.04 -145.09 0.14 Allowed 'General case' 0 N--CA 1.492 1.653 0 N-CA-C 108.865 -0.791 . . . . 0.0 108.865 179.535 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 53.2 tp10 -130.06 -24.17 2.66 Favored 'General case' 0 N--CA 1.503 2.195 0 O-C-N 120.907 -1.121 . . . . 0.0 110.712 -178.865 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 87' ' ' PHE . . . . . . . . . . . . . 12.9 m-85 -80.37 68.43 6.54 Favored 'General case' 0 N--CA 1.496 1.874 0 O-C-N 120.726 -1.234 . . . . 0.0 110.453 -179.127 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 2.8 t80 -174.52 24.76 0.01 OUTLIER 'General case' 0 N--CA 1.495 1.78 0 O-C-N 121.119 -0.988 . . . . 0.0 109.13 178.701 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 -97.91 6.53 47.63 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.295 -0.878 . . . . 0.0 110.562 -178.895 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 90' ' ' HIS . . . . . 0.491 ' O ' ' CG ' ' B' ' 90' ' ' HIS . 49.4 t60 -101.64 -0.03 35.4 Favored 'General case' 0 N--CA 1.501 2.092 0 O-C-N 121.033 -1.042 . . . . 0.0 110.743 -178.947 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 91' ' ' GLU . . . . . 0.423 ' OE1' ' OD2' ' A' ' 12' ' ' ASP . 86.4 tt0 . . . . . 0 N--CA 1.5 2.064 0 O-C-N 120.763 -1.21 . . . . 0.0 109.298 -179.108 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 92' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 93' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 61.5 mtt . . . . . 0 N--CA 1.49 1.567 0 N-CA-C 109.226 -0.657 . . . . 0.0 109.226 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 5.2 t -87.12 107.48 18.47 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.133 -0.979 . . . . 0.0 109.427 179.875 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 87.0 tt0 -60.54 -39.93 89.68 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.4 -0.812 . . . . 0.0 110.04 -179.88 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.535 ' O ' HD23 ' A' ' 3' ' ' LEU . 4.5 tt -55.73 -51.33 67.72 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.148 -0.97 . . . . 0.0 109.19 -178.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 85.0 tt0 -59.94 -43.93 94.68 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 120.914 -1.116 . . . . 0.0 109.031 179.212 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 58.2 tttp -61.37 -39.94 92.5 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.453 -0.78 . . . . 0.0 109.761 179.63 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -59.96 -42.62 94.47 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.236 -0.915 . . . . 0.0 110.251 -178.446 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 50.8 mtm -62.37 -40.05 95.16 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 120.732 -1.23 . . . . 0.0 109.162 179.477 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 61.6 t -68.55 -40.04 81.41 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.505 0 O-C-N 121.253 -0.904 . . . . 0.0 108.671 179.642 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -62.15 -39.95 94.36 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.516 -0.74 . . . . 0.0 110.09 -179.903 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.415 HD13 ' O ' ' A' ' 10' ' ' LEU . 0.1 OUTLIER -60.03 -43.54 95.23 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.081 -1.012 . . . . 0.0 108.925 -179.195 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 96.6 mt -69.48 -40.91 80.34 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.61 0 O-C-N 121.021 -1.049 . . . . 0.0 109.548 179.783 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . 0.403 ' OD1' ' C ' ' A' ' 12' ' ' ASP . 51.6 t0 -64.86 -50.03 68.23 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.195 -0.941 . . . . 0.0 110.427 -179.56 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 54.0 t -62.28 -40.66 88.61 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.488 0 O-C-N 121.108 -0.995 . . . . 0.0 109.776 -178.908 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . 0.414 ' O ' ' OG ' ' A' ' 18' ' ' SER . 64.6 t80 -60.05 -42.92 95.49 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.202 -0.936 . . . . 0.0 110.124 -179.655 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 2.3 t60 -60.04 -50.01 75.39 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.122 -0.986 . . . . 0.0 110.484 -178.931 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 27.9 mt-30 -67.16 -40.09 86.58 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 120.963 -1.086 . . . . 0.0 108.975 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 27.1 t80 -69.04 -32.54 72.11 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.448 -0.782 . . . . 0.0 109.664 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . 0.414 ' OG ' ' O ' ' A' ' 14' ' ' PHE . 52.8 m -60.0 -46.24 90.13 Favored 'General case' 0 C--N 1.3 -1.573 0 O-C-N 120.5 -1.375 . . . . 0.0 109.891 -179.582 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -83.59 20.28 12.08 Favored Glycine 0 N--CA 1.497 2.743 0 O-C-N 121.288 -0.883 . . . . 0.0 111.775 -179.106 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.01 -39.94 87.53 Favored 'General case' 0 N--CA 1.499 2.01 0 O-C-N 120.388 -1.654 . . . . 0.0 110.189 -178.898 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 6.6 tt0 -120.11 -158.6 0.75 Allowed 'General case' 0 N--CA 1.504 2.258 0 O-C-N 121.205 -0.934 . . . . 0.0 109.892 -179.245 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -60.03 -39.55 95.85 Favored Glycine 0 N--CA 1.493 2.439 0 N-CA-C 110.85 -0.9 . . . . 0.0 110.85 -179.032 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . 0.516 ' N ' ' OD1' ' A' ' 23' ' ' ASP . 18.2 p-10 -54.12 138.49 37.78 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 120.951 -1.323 . . . . 0.0 110.013 -179.174 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 87.1 tttt -89.96 -80.0 0.33 Allowed 'General case' 0 N--CA 1.495 1.818 0 O-C-N 121.647 -0.658 . . . . 0.0 111.446 -178.93 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 17.7 p80 -105.6 26.22 9.79 Favored 'General case' 0 N--CA 1.502 2.138 0 O-C-N 121.453 -0.779 . . . . 0.0 110.812 -178.183 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 15.7 ptmt -136.87 153.72 50.68 Favored 'General case' 0 N--CA 1.498 1.941 0 N-CA-C 108.16 -1.052 . . . . 0.0 108.16 179.094 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 83.6 mt -104.18 136.73 43.24 Favored 'General case' 0 N--CA 1.498 1.97 0 O-C-N 121.175 -0.953 . . . . 0.0 110.19 -178.469 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 31.6 ttmt -92.84 163.45 13.71 Favored 'General case' 0 N--CA 1.492 1.634 0 N-CA-C 108.661 -0.866 . . . . 0.0 108.661 179.747 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 66.9 mttm -59.96 -41.49 92.04 Favored 'General case' 0 C--N 1.302 -1.483 0 O-C-N 120.966 -1.084 . . . . 0.0 109.838 -179.422 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 69.1 m -60.88 -40.59 93.58 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.237 -0.914 . . . . 0.0 110.739 -179.28 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.432 ' OE1' ' OD2' ' A' ' 23' ' ' ASP . 97.8 mt-10 -60.06 -40.08 88.26 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.084 -1.01 . . . . 0.0 110.274 -179.589 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 41.0 tp -59.92 -48.61 81.01 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 120.981 -1.074 . . . . 0.0 108.476 -179.447 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -59.96 -43.37 95.09 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.256 -0.902 . . . . 0.0 109.393 179.623 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 80.6 tt0 -63.27 -40.03 96.25 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.326 -0.859 . . . . 0.0 109.757 -179.613 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 28.3 tp -60.02 -43.2 95.43 Favored 'General case' 0 N--CA 1.489 1.501 0 N-CA-C 108.461 -0.94 . . . . 0.0 108.461 -179.601 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 94.7 mt -62.04 -44.69 99.3 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.554 0 O-C-N 121.319 -0.863 . . . . 0.0 109.64 179.603 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . 0.408 ' O ' ' C ' ' A' ' 38' ' ' ASN . 26.1 m120 -60.04 -40.07 88.11 Favored 'General case' 0 N--CA 1.495 1.776 0 O-C-N 121.403 -0.811 . . . . 0.0 111.257 -179.098 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . 0.408 ' C ' ' O ' ' A' ' 37' ' ' ASN . 18.9 m120 -41.86 -81.66 0.01 OUTLIER 'General case' 0 N--CA 1.498 1.96 0 O-C-N 121.21 -0.931 . . . . 0.0 110.766 -178.403 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 89.8 mt-10 -143.97 -1.28 0.98 Allowed 'General case' 0 N--CA 1.499 1.988 0 O-C-N 120.97 -1.081 . . . . 0.0 110.039 -179.666 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 10.5 mp -85.65 -6.63 59.12 Favored 'General case' 0 N--CA 1.494 1.755 0 O-C-N 120.976 -1.078 . . . . 0.0 108.992 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . 0.447 ' O ' ' O ' ' A' ' 44' ' ' LEU . 77.8 p -66.85 -40.0 87.76 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.201 -0.937 . . . . 0.0 109.415 179.478 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 68.3 m80 -62.22 -40.35 95.84 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.035 -1.041 . . . . 0.0 109.804 -179.777 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 29.9 t80 -70.0 -39.9 75.6 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.214 -0.929 . . . . 0.0 109.977 -179.628 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.447 ' O ' ' O ' ' A' ' 41' ' ' SER . 31.4 mt -99.5 132.73 44.64 Favored 'General case' 0 N--CA 1.499 1.982 0 O-C-N 121.258 -0.901 . . . . 0.0 110.17 -179.084 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.408 ' HG2' ' H ' ' A' ' 46' ' ' GLU . 45.0 tt0 -89.53 -137.18 0.12 Allowed 'General case' 0 N--CA 1.491 1.593 0 N-CA-C 108.401 -0.963 . . . . 0.0 108.401 179.363 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.408 ' H ' ' HG2' ' A' ' 45' ' ' GLU . 97.9 mt-10 46.05 -137.33 0.64 Allowed 'General case' 0 N--CA 1.493 1.706 0 O-C-N 120.957 -1.09 . . . . 0.0 109.967 179.279 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.407 ' C ' ' O ' ' A' ' 46' ' ' GLU . 23.8 mm 41.01 60.02 0.2 Allowed 'Isoleucine or valine' 0 N--CA 1.498 1.93 0 O-C-N 121.451 -0.78 . . . . 0.0 110.187 -179.672 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 9.8 mtpm? -102.47 -18.73 15.2 Favored 'General case' 0 N--CA 1.496 1.867 0 O-C-N 121.171 -0.956 . . . . 0.0 110.533 -179.808 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 74.1 mt-10 -137.76 159.13 42.83 Favored 'General case' 0 N--CA 1.503 2.186 0 O-C-N 121.048 -1.032 . . . . 0.0 110.819 -178.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 35.8 mt-30 -66.58 -40.02 88.72 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.751 -0.593 . . . . 0.0 110.284 -179.88 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 63.4 mm-40 -60.0 -39.42 85.71 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.43 -0.794 . . . . 0.0 110.036 -179.575 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.513 ' O ' HG23 ' A' ' 56' ' ' VAL . 53.1 t -59.95 -40.04 81.86 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.594 0 O-C-N 121.273 -0.892 . . . . 0.0 110.248 -178.322 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 58.2 t -60.68 -42.98 93.94 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.526 0 O-C-N 120.734 -1.229 . . . . 0.0 109.998 -179.71 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 98.4 m-20 -65.47 -41.7 93.04 Favored 'General case' 0 N--CA 1.495 1.811 0 O-C-N 120.944 -1.097 . . . . 0.0 110.849 -179.081 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 1.4 mptm? -69.35 -40.0 77.78 Favored 'General case' 0 N--CA 1.494 1.767 0 O-C-N 121.039 -1.038 . . . . 0.0 110.302 -179.44 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.513 HG23 ' O ' ' A' ' 52' ' ' VAL . 53.8 t -59.95 -42.61 90.04 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.617 0 O-C-N 121.127 -0.983 . . . . 0.0 110.864 -178.002 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 96.6 mtp -60.07 -42.44 94.56 Favored 'General case' 0 C--N 1.3 -1.562 0 O-C-N 120.861 -1.149 . . . . 0.0 110.357 -178.663 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 47.3 tt0 -63.96 -45.32 89.65 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 120.756 -1.215 . . . . 0.0 110.371 -179.524 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 94.2 m -69.38 -45.81 68.41 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 120.92 -1.113 . . . . 0.0 110.164 -179.34 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 3.8 tp -70.27 -35.93 74.09 Favored 'General case' 0 C--N 1.3 -1.564 0 O-C-N 121.304 -0.873 . . . . 0.0 110.33 -178.904 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . 0.497 ' CG ' ' H ' ' A' ' 64' ' ' GLY . 56.6 t0 -69.57 120.59 15.59 Favored 'General case' 0 N--CA 1.495 1.793 0 O-C-N 121.106 -0.996 . . . . 0.0 109.572 -179.268 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 76.6 mm-40 -67.75 -40.02 84.13 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.454 -0.779 . . . . 0.0 110.389 -179.357 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . 0.435 ' OD1' ' OD1' ' A' ' 61' ' ' ASP . 9.9 p-10 -95.6 -16.63 21.97 Favored 'General case' 0 N--CA 1.499 2.011 0 O-C-N 120.914 -1.116 . . . . 0.0 110.615 -179.298 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . 0.497 ' H ' ' CG ' ' A' ' 61' ' ' ASP . . . 46.91 57.3 6.96 Favored Glycine 0 N--CA 1.493 2.479 0 N-CA-C 109.791 -1.324 . . . . 0.0 109.791 179.63 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . 0.448 ' OD1' ' O ' ' A' ' 67' ' ' GLU . 34.6 p-10 -89.96 -0.84 57.8 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.167 -1.196 . . . . 0.0 109.734 -179.697 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 89.01 -8.7 79.22 Favored Glycine 0 N--CA 1.494 2.566 0 N-CA-C 109.517 -1.433 . . . . 0.0 109.517 179.796 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.448 ' O ' ' OD1' ' A' ' 65' ' ' ASP . 31.3 mp0 -132.79 139.48 47.55 Favored 'General case' 0 N--CA 1.496 1.845 0 O-C-N 121.434 -1.039 . . . . 0.0 108.509 179.758 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 10.8 t -92.77 112.57 24.57 Favored 'General case' 0 N--CA 1.494 1.761 0 O-C-N 120.906 -1.122 . . . . 0.0 109.093 179.645 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 92.3 m-20 -88.24 169.66 11.67 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.467 -0.771 . . . . 0.0 109.283 -179.769 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 52.6 t80 -59.96 -42.42 94.06 Favored 'General case' 0 N--CA 1.487 1.418 0 O-C-N 121.186 -0.946 . . . . 0.0 108.696 -179.738 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 60.0 tt0 -59.95 -43.93 94.71 Favored 'General case' 0 N--CA 1.489 1.488 0 N-CA-C 108.284 -1.006 . . . . 0.0 108.284 179.047 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 67.7 mt-10 -66.76 -39.76 88.0 Favored 'General case' 0 N--CA 1.489 1.49 0 N-CA-C 108.584 -0.895 . . . . 0.0 108.584 179.267 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 64.2 t80 -60.11 -38.98 84.62 Favored 'General case' 0 N--CA 1.487 1.378 0 N-CA-C 108.426 -0.953 . . . . 0.0 108.426 179.816 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -59.94 -39.95 87.3 Favored 'General case' 0 N--CA 1.488 1.43 0 N-CA-C 108.05 -1.093 . . . . 0.0 108.05 179.765 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -61.51 -36.9 81.82 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.325 -0.859 . . . . 0.0 108.935 178.725 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 27.4 t80 -60.04 -49.15 78.78 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.688 -0.633 . . . . 0.0 109.965 -179.038 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 58.4 t -69.8 -41.63 79.86 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.616 0 O-C-N 120.906 -1.122 . . . . 0.0 110.386 -179.206 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 47.5 t -63.14 -50.64 69.63 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 120.986 -1.071 . . . . 0.0 110.89 -178.841 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 22.5 ttt -61.18 -42.21 98.17 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 120.957 -1.089 . . . . 0.0 109.947 -179.306 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 42.7 t -65.96 -49.11 79.12 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.587 0 O-C-N 121.312 -0.867 . . . . 0.0 110.17 -179.846 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 93.8 m -67.14 -46.69 73.32 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.144 -0.972 . . . . 0.0 110.263 -179.136 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 94.4 m -64.51 -39.92 94.68 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.287 -0.883 . . . . 0.0 109.807 -179.741 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . 0.542 ' O ' ' ND1' ' A' ' 85' ' ' HIS . . . -57.69 -22.23 44.92 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.374 -0.829 . . . . 0.0 110.992 -178.872 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' CYS . . . . . 0.567 ' O ' ' CG ' ' A' ' 85' ' ' HIS . 12.8 p -71.51 -41.83 68.76 Favored 'General case' 0 N--CA 1.494 1.746 0 O-C-N 120.816 -1.177 . . . . 0.0 109.878 -179.696 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' HIS . . . . . 0.567 ' CG ' ' O ' ' A' ' 84' ' ' CYS . 41.4 p-80 44.73 -176.26 0.01 OUTLIER 'General case' 0 N--CA 1.499 2.019 0 CA-C-O 121.498 0.666 . . . . 0.0 110.621 -179.561 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . 0.451 ' O ' ' O ' ' A' ' 85' ' ' HIS . 49.8 mm-40 43.27 -168.29 0.01 OUTLIER 'General case' 0 N--CA 1.496 1.837 0 O-C-N 121.447 -0.783 . . . . 0.0 110.171 -179.627 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 7.4 m-85 -99.97 129.82 46.07 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.433 -0.792 . . . . 0.0 109.157 -179.825 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 46.5 t80 -84.33 130.77 34.77 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.073 -1.017 . . . . 0.0 109.122 179.814 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 44.9 tt0 -89.61 106.77 18.68 Favored 'General case' 0 N--CA 1.494 1.753 0 O-C-N 121.093 -1.004 . . . . 0.0 109.04 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 67.4 t60 -71.26 149.87 45.78 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.295 -0.878 . . . . 0.0 109.493 -179.801 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 . . . . . 0 N--CA 1.491 1.606 0 CA-C-O 117.931 -1.033 . . . . 0.0 109.465 -179.869 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 0' ' ' MET . . . . . . . . . . . . . 61.3 mtt . . . . . 0 N--CA 1.49 1.531 0 N-CA-C 109.304 -0.628 . . . . 0.0 109.304 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 6.6 t -87.14 107.21 18.36 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.134 -0.979 . . . . 0.0 109.347 179.86 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 87.5 tt0 -60.52 -39.94 89.68 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.425 -0.797 . . . . 0.0 110.046 -179.912 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 3' ' ' LEU . . . . . 0.503 ' O ' HD23 ' B' ' 3' ' ' LEU . 4.4 tt -55.49 -51.94 65.33 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.113 -0.992 . . . . 0.0 109.164 -179.1 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 85.8 tt0 -59.96 -43.65 94.92 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.016 -1.053 . . . . 0.0 108.953 179.512 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 59.4 tttp -61.37 -39.96 92.56 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.378 -0.827 . . . . 0.0 109.755 179.438 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -60.0 -42.12 93.56 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.221 -0.925 . . . . 0.0 110.307 -178.413 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 7' ' ' MET . . . . . . . . . . . . . 47.4 mtm -62.81 -40.11 96.37 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 120.777 -1.202 . . . . 0.0 109.097 179.678 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 56.2 t -68.32 -40.01 81.84 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.507 0 O-C-N 121.21 -0.931 . . . . 0.0 108.727 179.571 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.92 -39.98 93.91 Favored 'General case' 0 C--N 1.303 -1.434 0 O-C-N 121.576 -0.702 . . . . 0.0 110.21 179.888 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 10' ' ' LEU . . . . . 0.422 HD13 ' O ' ' B' ' 10' ' ' LEU . 0.2 OUTLIER -60.05 -44.23 94.84 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.164 -0.96 . . . . 0.0 108.784 -179.018 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 96.5 mt -68.79 -41.21 82.21 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.553 0 O-C-N 121.16 -0.962 . . . . 0.0 109.705 179.894 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 12' ' ' ASP . . . . . 0.418 ' C ' ' OD1' ' B' ' 12' ' ' ASP . 51.4 t0 -64.94 -50.02 68.08 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.23 -0.919 . . . . 0.0 110.379 -179.458 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 53.5 t -62.07 -40.77 88.63 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.505 0 O-C-N 121.14 -0.975 . . . . 0.0 109.72 -179.002 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 14' ' ' PHE . . . . . . . . . . . . . 64.7 t80 -60.01 -43.18 95.4 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.219 -0.926 . . . . 0.0 110.166 -179.642 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 2.4 t60 -59.95 -50.03 75.36 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.046 -1.034 . . . . 0.0 110.459 -178.912 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 27.2 mt-30 -67.11 -39.96 86.79 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 120.843 -1.16 . . . . 0.0 108.869 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 27.1 t80 -69.06 -32.51 72.03 Favored 'General case' 0 N--CA 1.488 1.445 0 O-C-N 121.526 -0.734 . . . . 0.0 109.72 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 48.3 m -60.18 -46.2 90.5 Favored 'General case' 0 C--N 1.3 -1.566 0 O-C-N 120.459 -1.4 . . . . 0.0 109.746 -179.555 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -83.43 20.31 11.47 Favored Glycine 0 N--CA 1.497 2.766 0 O-C-N 121.312 -0.867 . . . . 0.0 111.824 -179.068 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.03 -40.04 87.99 Favored 'General case' 0 N--CA 1.5 2.037 0 O-C-N 120.411 -1.641 . . . . 0.0 110.18 -178.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 6.4 tt0 -120.02 -158.67 0.75 Allowed 'General case' 0 N--CA 1.505 2.297 0 O-C-N 121.34 -0.85 . . . . 0.0 109.844 -179.267 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . -59.96 -39.72 95.98 Favored Glycine 0 N--CA 1.492 2.374 0 N-CA-C 110.848 -0.901 . . . . 0.0 110.848 -179.048 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 23' ' ' ASP . . . . . 0.533 ' N ' ' OD1' ' B' ' 23' ' ' ASP . 18.1 p-10 -53.91 138.84 35.59 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 120.923 -1.34 . . . . 0.0 109.962 -179.113 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 87.3 tttt -90.21 -80.04 0.33 Allowed 'General case' 0 N--CA 1.495 1.818 0 O-C-N 121.682 -0.636 . . . . 0.0 111.386 -178.91 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 25' ' ' HIS . . . . . . . . . . . . . 18.1 p80 -105.58 25.91 10.17 Favored 'General case' 0 N--CA 1.502 2.156 0 O-C-N 121.371 -0.83 . . . . 0.0 110.833 -178.092 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 16.1 ptmt -136.64 153.38 50.94 Favored 'General case' 0 N--CA 1.497 1.882 0 N-CA-C 108.195 -1.039 . . . . 0.0 108.195 179.183 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 82.8 mt -103.91 136.92 42.66 Favored 'General case' 0 N--CA 1.499 1.985 0 O-C-N 121.225 -0.922 . . . . 0.0 110.176 -178.462 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 31.7 ttmt -92.92 163.35 13.71 Favored 'General case' 0 N--CA 1.491 1.592 0 N-CA-C 108.666 -0.865 . . . . 0.0 108.666 179.775 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 66.7 mttm -60.04 -41.32 92.0 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.024 -1.047 . . . . 0.0 109.832 -179.598 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 72.0 m -60.88 -40.52 93.34 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.25 -0.906 . . . . 0.0 110.726 -179.299 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 31' ' ' GLU . . . . . 0.428 ' OE1' ' OD2' ' B' ' 23' ' ' ASP . 97.6 mt-10 -60.16 -39.96 88.25 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.097 -1.002 . . . . 0.0 110.337 -179.604 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 42.7 tp -59.97 -48.51 81.4 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.029 -1.045 . . . . 0.0 108.606 -179.576 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 87.9 tttt -60.08 -43.43 95.51 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.256 -0.903 . . . . 0.0 109.403 179.673 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 85.1 tt0 -63.24 -39.93 96.01 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.323 -0.861 . . . . 0.0 109.833 -179.701 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 27.6 tp -60.08 -43.26 95.63 Favored 'General case' 0 N--CA 1.489 1.523 0 N-CA-C 108.462 -0.94 . . . . 0.0 108.462 -179.769 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 89.8 mt -61.98 -44.62 99.17 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.572 0 O-C-N 121.354 -0.841 . . . . 0.0 109.559 179.713 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 37' ' ' ASN . . . . . 0.414 ' O ' ' C ' ' B' ' 38' ' ' ASN . 25.7 m120 -60.06 -39.93 87.71 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 121.519 -0.738 . . . . 0.0 111.325 -179.053 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 38' ' ' ASN . . . . . 0.414 ' C ' ' O ' ' B' ' 37' ' ' ASN . 18.1 m120 -41.96 -81.62 0.01 OUTLIER 'General case' 0 N--CA 1.496 1.842 0 O-C-N 121.212 -0.93 . . . . 0.0 110.828 -178.535 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 89.0 mt-10 -144.13 -1.19 0.96 Allowed 'General case' 0 N--CA 1.499 1.986 0 O-C-N 120.949 -1.094 . . . . 0.0 110.103 -179.737 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 10.3 mp -85.7 -6.76 59.09 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.028 -1.045 . . . . 0.0 108.986 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 41' ' ' SER . . . . . 0.447 ' O ' ' O ' ' B' ' 44' ' ' LEU . 77.3 p -66.78 -40.07 88.04 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.143 -0.973 . . . . 0.0 109.37 179.504 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 42' ' ' HIS . . . . . . . . . . . . . 68.1 m80 -62.06 -40.5 96.01 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.064 -1.023 . . . . 0.0 109.808 -179.709 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 30.5 t80 -70.03 -39.94 75.47 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.158 -0.964 . . . . 0.0 109.978 -179.608 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 44' ' ' LEU . . . . . 0.447 ' O ' ' O ' ' B' ' 41' ' ' SER . 33.3 mt -99.56 132.66 44.75 Favored 'General case' 0 N--CA 1.499 2.013 0 O-C-N 121.205 -0.935 . . . . 0.0 110.189 -179.148 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 44.4 tt0 -89.3 -137.02 0.12 Allowed 'General case' 0 N--CA 1.491 1.596 0 N-CA-C 108.553 -0.906 . . . . 0.0 108.553 179.479 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 46' ' ' GLU . . . . . 0.408 ' O ' ' C ' ' B' ' 47' ' ' ILE . 97.6 mt-10 45.71 -136.97 0.62 Allowed 'General case' 0 N--CA 1.494 1.731 0 O-C-N 121.102 -0.999 . . . . 0.0 110.063 179.29 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 47' ' ' ILE . . . . . 0.408 ' C ' ' O ' ' B' ' 46' ' ' GLU . 23.5 mm 40.96 59.94 0.2 Allowed 'Isoleucine or valine' 0 N--CA 1.499 1.995 0 O-C-N 121.487 -0.758 . . . . 0.0 110.124 -179.732 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 10.0 mtpm? -102.44 -18.67 15.25 Favored 'General case' 0 N--CA 1.496 1.864 0 O-C-N 121.204 -0.935 . . . . 0.0 110.505 -179.684 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 75.4 mt-10 -137.82 159.45 41.95 Favored 'General case' 0 N--CA 1.503 2.221 0 O-C-N 120.997 -1.065 . . . . 0.0 110.779 -179.102 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 35.8 mt-30 -66.71 -40.01 88.27 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.687 -0.633 . . . . 0.0 110.324 -179.78 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 63.6 mm-40 -59.98 -39.51 85.93 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.271 -0.893 . . . . 0.0 110.047 -179.628 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 52' ' ' VAL . . . . . 0.501 ' O ' HG23 ' B' ' 56' ' ' VAL . 54.2 t -59.98 -40.11 82.11 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.627 0 O-C-N 121.28 -0.887 . . . . 0.0 110.239 -178.217 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 53.4 t -60.8 -42.89 94.06 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.532 0 O-C-N 120.729 -1.232 . . . . 0.0 110.038 -179.745 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 98.4 m-20 -65.33 -41.74 93.63 Favored 'General case' 0 N--CA 1.496 1.845 0 O-C-N 120.972 -1.08 . . . . 0.0 110.864 -179.145 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 1.4 mptm? -69.34 -39.94 77.86 Favored 'General case' 0 N--CA 1.495 1.779 0 O-C-N 121.024 -1.047 . . . . 0.0 110.31 -179.437 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 56' ' ' VAL . . . . . 0.501 HG23 ' O ' ' B' ' 52' ' ' VAL . 53.7 t -60.07 -42.64 90.59 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.646 0 O-C-N 121.154 -0.966 . . . . 0.0 110.767 -177.947 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 57' ' ' MET . . . . . . . . . . . . . 96.8 mtp -60.08 -42.25 94.21 Favored 'General case' 0 C--N 1.301 -1.511 0 O-C-N 120.902 -1.124 . . . . 0.0 110.316 -178.598 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 46.6 tt0 -64.14 -45.4 88.67 Favored 'General case' 0 N--CA 1.493 1.675 0 O-C-N 120.758 -1.214 . . . . 0.0 110.311 -179.562 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 94.2 m -69.14 -46.09 68.47 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.053 -1.03 . . . . 0.0 110.142 -179.364 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 3.7 tp -69.92 -36.35 75.29 Favored 'General case' 0 C--N 1.3 -1.546 0 O-C-N 121.322 -0.861 . . . . 0.0 110.297 -178.894 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 61' ' ' ASP . . . . . 0.492 ' CG ' ' H ' ' B' ' 64' ' ' GLY . 57.0 t0 -69.36 120.49 15.25 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 120.979 -1.075 . . . . 0.0 109.67 -179.132 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 76.7 mm-40 -67.69 -39.98 84.38 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.474 -0.766 . . . . 0.0 110.407 -179.326 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 63' ' ' ASP . . . . . 0.431 ' OD1' ' OD1' ' B' ' 61' ' ' ASP . 10.0 p-10 -95.67 -16.56 21.94 Favored 'General case' 0 N--CA 1.5 2.025 0 O-C-N 120.996 -1.065 . . . . 0.0 110.547 -179.168 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 64' ' ' GLY . . . . . 0.492 ' H ' ' CG ' ' B' ' 61' ' ' ASP . . . 46.86 57.28 6.94 Favored Glycine 0 N--CA 1.494 2.528 0 N-CA-C 109.835 -1.306 . . . . 0.0 109.835 179.649 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 65' ' ' ASP . . . . . 0.417 ' O ' ' OE1' ' B' ' 67' ' ' GLU . 34.6 p-10 -89.99 -0.72 57.73 Favored 'General case' 0 N--CA 1.496 1.827 0 O-C-N 121.23 -1.159 . . . . 0.0 109.723 -179.71 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 88.96 -9.07 78.16 Favored Glycine 0 N--CA 1.495 2.61 0 N-CA-C 109.532 -1.427 . . . . 0.0 109.532 179.774 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 67' ' ' GLU . . . . . 0.417 ' OE1' ' O ' ' B' ' 65' ' ' ASP . 31.3 mp0 -132.46 139.64 48.07 Favored 'General case' 0 N--CA 1.496 1.861 0 O-C-N 121.531 -0.981 . . . . 0.0 108.504 179.889 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 68' ' ' CYS . . . . . . . . . . . . . 11.2 t -92.85 112.63 24.66 Favored 'General case' 0 N--CA 1.495 1.797 0 O-C-N 120.893 -1.129 . . . . 0.0 109.05 179.632 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 92.8 m-20 -88.24 169.27 12.02 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.472 -0.767 . . . . 0.0 109.274 -179.747 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 51.3 t80 -60.03 -42.29 94.08 Favored 'General case' 0 N--CA 1.487 1.383 0 O-C-N 121.203 -0.935 . . . . 0.0 108.57 -179.691 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 59.8 tt0 -59.99 -43.77 94.94 Favored 'General case' 0 N--CA 1.49 1.534 0 N-CA-C 108.29 -1.004 . . . . 0.0 108.29 178.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 69.0 mt-10 -66.77 -39.89 88.02 Favored 'General case' 0 N--CA 1.488 1.463 0 N-CA-C 108.608 -0.886 . . . . 0.0 108.608 179.175 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 73' ' ' PHE . . . . . . . . . . . . . 64.1 t80 -59.91 -38.99 83.9 Favored 'General case' 0 N--CA 1.487 1.395 0 N-CA-C 108.396 -0.964 . . . . 0.0 108.396 179.836 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 74' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -60.0 -40.03 87.8 Favored 'General case' 0 C--N 1.303 -1.438 0 N-CA-C 108.033 -1.099 . . . . 0.0 108.033 179.749 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -61.45 -37.03 82.06 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.383 -0.823 . . . . 0.0 109.022 178.748 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 28.2 t80 -60.03 -49.04 79.22 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.511 -0.743 . . . . 0.0 110.044 -179.047 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 77' ' ' VAL . . . . . . . . . . . . . 62.6 t -69.65 -41.63 80.22 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.613 0 O-C-N 120.974 -1.079 . . . . 0.0 110.421 -179.319 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 78' ' ' SER . . . . . . . . . . . . . 48.3 t -63.42 -50.58 69.23 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 120.963 -1.086 . . . . 0.0 110.936 -178.858 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 79' ' ' MET . . . . . . . . . . . . . 22.4 ttt -61.01 -42.33 98.25 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 120.997 -1.064 . . . . 0.0 109.886 -179.399 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 42.6 t -65.94 -48.91 80.23 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.642 0 O-C-N 121.41 -0.806 . . . . 0.0 110.123 -179.768 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 81' ' ' THR . . . . . 0.436 ' O ' ' SG ' ' B' ' 84' ' ' CYS . 93.8 m -67.44 -46.71 72.29 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.109 -0.994 . . . . 0.0 110.115 -178.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 94.4 m -64.44 -39.97 94.84 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.147 -0.97 . . . . 0.0 109.865 -179.701 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 83' ' ' ALA . . . . . 0.547 ' O ' ' ND1' ' B' ' 85' ' ' HIS . . . -57.76 -22.04 44.72 Favored 'General case' 0 N--CA 1.494 1.725 0 O-C-N 121.42 -0.8 . . . . 0.0 110.938 -178.804 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 84' ' ' CYS . . . . . 0.575 ' O ' ' CG ' ' B' ' 85' ' ' HIS . 12.6 p -71.67 -41.77 68.31 Favored 'General case' 0 N--CA 1.494 1.767 0 O-C-N 120.809 -1.182 . . . . 0.0 109.794 -179.632 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 85' ' ' HIS . . . . . 0.575 ' CG ' ' O ' ' B' ' 84' ' ' CYS . 41.6 p-80 44.6 -176.23 0.01 OUTLIER 'General case' 0 N--CA 1.498 1.956 0 CA-C-O 121.469 0.652 . . . . 0.0 110.635 -179.576 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 86' ' ' GLU . . . . . 0.442 ' O ' ' O ' ' B' ' 85' ' ' HIS . 49.9 mm-40 43.35 -168.4 0.01 OUTLIER 'General case' 0 N--CA 1.494 1.771 0 O-C-N 121.387 -0.821 . . . . 0.0 110.141 -179.631 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 87' ' ' PHE . . . . . . . . . . . . . 7.1 m-85 -99.93 129.72 46.03 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.422 -0.799 . . . . 0.0 109.218 -179.858 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 45.4 t80 -84.41 130.74 34.75 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.119 -0.988 . . . . 0.0 109.155 179.877 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 45.8 tt0 -89.81 106.19 18.3 Favored 'General case' 0 N--CA 1.494 1.74 0 O-C-N 121.042 -1.036 . . . . 0.0 109.226 -179.927 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 90' ' ' HIS . . . . . . . . . . . . . 65.4 t60 -70.01 149.98 47.14 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.325 -0.859 . . . . 0.0 109.566 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 . . . . . 0 N--CA 1.49 1.558 0 CA-C-O 117.997 -1.001 . . . . 0.0 109.465 179.878 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 92' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 93' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 13.4 ptt? . . . . . 0 N--CA 1.488 1.428 0 N-CA-C 109.369 -0.604 . . . . 0.0 109.369 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 28.5 t 50.95 83.89 0.05 OUTLIER 'General case' 0 N--CA 1.487 1.396 0 O-C-N 121.346 -0.846 . . . . 0.0 109.368 179.914 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 47.3 mt-10 -61.99 -34.98 77.17 Favored 'General case' 0 N--CA 1.49 1.555 0 N-CA-C 108.915 -0.772 . . . . 0.0 108.915 -179.93 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.555 HD13 ' O ' ' A' ' 3' ' ' LEU . 0.3 OUTLIER -60.27 -44.64 95.14 Favored 'General case' 0 N--CA 1.49 1.542 0 N-CA-C 108.11 -1.07 . . . . 0.0 108.11 179.649 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 87.5 tt0 -61.42 -40.03 92.92 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.071 -1.018 . . . . 0.0 109.25 179.289 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 57.6 mmtt -60.17 -39.15 85.42 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.346 -0.846 . . . . 0.0 109.891 179.68 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -59.86 -48.65 80.84 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.245 -0.909 . . . . 0.0 110.02 -178.599 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 95.4 mtp -65.31 -40.35 93.67 Favored 'General case' 0 C--N 1.302 -1.494 0 O-C-N 121.043 -1.036 . . . . 0.0 109.745 -179.585 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 79.2 t -68.24 -49.08 70.33 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.523 0 O-C-N 121.278 -0.889 . . . . 0.0 109.921 -179.7 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -62.39 -41.33 98.58 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.322 -0.861 . . . . 0.0 110.647 -179.267 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 8.7 tt -60.24 -40.62 90.87 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.043 -1.036 . . . . 0.0 109.346 -179.362 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 96.8 mt -67.54 -40.26 83.96 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.482 0 O-C-N 121.285 -0.885 . . . . 0.0 110.113 -179.42 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 97.4 m-20 -65.09 -40.55 94.78 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.002 -1.061 . . . . 0.0 109.727 -179.557 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 57.7 t -67.5 -42.52 87.1 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.902 0 O-C-N 120.915 -1.115 . . . . 0.0 110.43 -179.699 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 74.9 t80 -60.69 -41.66 95.59 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.082 -1.011 . . . . 0.0 109.97 -179.783 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 34.2 m170 -66.16 -38.45 88.13 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.136 -0.978 . . . . 0.0 110.105 179.653 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 63.3 tt0 -60.12 -55.56 32.4 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.104 -0.997 . . . . 0.0 110.733 -178.376 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 73.7 m-85 -71.51 -39.03 71.05 Favored 'General case' 0 C--N 1.3 -1.584 0 O-C-N 120.821 -1.175 . . . . 0.0 110.799 -179.3 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . 0.451 ' O ' ' O ' ' A' ' 23' ' ' ASP . 51.7 p -71.35 -42.19 68.82 Favored 'General case' 0 N--CA 1.489 1.475 0 O-C-N 120.962 -1.086 . . . . 0.0 110.468 -178.893 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -67.85 0.92 8.9 Favored Glycine 0 N--CA 1.495 2.625 0 N-CA-C 109.967 -1.253 . . . . 0.0 109.967 -179.523 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.49 HH11 ' HG2' ' A' ' 20' ' ' ARG . 7.4 ttt-85 -61.11 -39.59 90.55 Favored 'General case' 0 C--N 1.299 -1.605 0 O-C-N 121.415 -1.05 . . . . 0.0 109.679 179.64 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.476 ' C ' ' H ' ' A' ' 23' ' ' ASP . 37.2 mt-10 -117.9 49.26 1.26 Allowed 'General case' 0 N--CA 1.503 2.21 0 O-C-N 121.601 -0.687 . . . . 0.0 110.655 -178.504 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 59.68 -2.06 0.42 Allowed Glycine 0 N--CA 1.488 2.157 0 C-N-CA 119.674 -1.25 . . . . 0.0 110.363 178.784 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . 0.476 ' H ' ' C ' ' A' ' 21' ' ' GLU . 77.7 m-20 -93.63 96.49 9.87 Favored 'General case' 0 N--CA 1.494 1.736 0 O-C-N 120.813 -1.404 . . . . 0.0 108.769 -179.802 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -96.2 -36.23 11.01 Favored 'General case' 0 N--CA 1.494 1.751 0 O-C-N 121.159 -0.963 . . . . 0.0 110.049 -179.506 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 76.7 m80 -99.66 1.18 43.26 Favored 'General case' 0 N--CA 1.498 1.975 0 O-C-N 121.23 -0.919 . . . . 0.0 110.601 -179.112 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -128.23 144.76 51.15 Favored 'General case' 0 N--CA 1.499 1.994 0 O-C-N 121.278 -0.889 . . . . 0.0 109.19 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 44.2 tp -113.25 133.32 55.15 Favored 'General case' 0 N--CA 1.497 1.878 0 N-CA-C 108.263 -1.014 . . . . 0.0 108.263 179.856 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 40.3 tttm -96.2 152.33 18.66 Favored 'General case' 0 N--CA 1.494 1.756 0 O-C-N 121.311 -0.868 . . . . 0.0 110.369 -178.894 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.35 -40.0 89.16 Favored 'General case' 0 N--CA 1.494 1.773 0 CA-C-O 121.361 0.601 . . . . 0.0 110.352 -179.692 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 78.2 p -59.91 -39.94 87.12 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.259 -0.901 . . . . 0.0 109.571 -179.112 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 90.8 mt-10 -67.66 -30.36 69.89 Favored 'General case' 0 N--CA 1.487 1.421 0 O-C-N 121.191 -0.943 . . . . 0.0 109.954 179.741 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.551 ' O ' HD23 ' A' ' 32' ' ' LEU . 3.7 tt -59.87 -50.11 75.05 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 120.947 -1.095 . . . . 0.0 109.612 -179.307 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 8.0 ttpm? -60.21 -41.3 92.71 Favored 'General case' 0 N--CA 1.497 1.878 0 O-C-N 120.437 -1.414 . . . . 0.0 110.139 -179.434 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 80.7 mm-40 -63.04 -39.82 95.87 Favored 'General case' 0 C--N 1.299 -1.628 0 O-C-N 121.048 -1.033 . . . . 0.0 109.87 179.902 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 6.3 tt -60.04 -45.86 91.43 Favored 'General case' 0 N--CA 1.488 1.447 0 O-C-N 121.281 -0.887 . . . . 0.0 109.668 -179.647 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 96.7 mt -60.36 -42.34 90.48 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.524 0 O-C-N 121.376 -0.827 . . . . 0.0 109.549 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 41.4 t30 -60.99 -39.09 88.36 Favored 'General case' 0 N--CA 1.496 1.859 0 O-C-N 121.453 -0.779 . . . . 0.0 110.145 179.492 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . 0.473 ' ND2' ' OE1' ' A' ' 39' ' ' GLU . 56.3 t30 -43.78 -90.74 0.0 OUTLIER 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.219 -0.926 . . . . 0.0 110.721 -178.807 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . 0.473 ' OE1' ' ND2' ' A' ' 38' ' ' ASN . 8.5 mp0 -144.21 43.87 1.43 Allowed 'General case' 0 N--CA 1.5 2.048 0 O-C-N 120.845 -1.159 . . . . 0.0 109.945 -179.503 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 3.4 tp -130.75 10.67 5.13 Favored 'General case' 0 N--CA 1.505 2.301 0 O-C-N 120.905 -1.122 . . . . 0.0 109.605 -179.584 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . 0.476 ' O ' ' O ' ' A' ' 44' ' ' LEU . 71.0 m -70.06 -27.02 64.29 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.389 -0.819 . . . . 0.0 109.402 179.836 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 72.4 m80 -61.36 -39.72 91.67 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 120.908 -1.12 . . . . 0.0 109.583 -179.827 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 81.4 m-85 -69.79 -36.93 76.12 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.163 -0.961 . . . . 0.0 110.515 -179.396 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.476 ' O ' ' O ' ' A' ' 41' ' ' SER . 6.7 mp -105.22 138.65 41.09 Favored 'General case' 0 N--CA 1.506 2.353 0 O-C-N 121.006 -1.059 . . . . 0.0 109.833 -179.879 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 88.3 tt0 -143.16 75.51 1.48 Allowed 'General case' 0 N--CA 1.498 1.945 0 O-C-N 121.19 -0.944 . . . . 0.0 108.823 179.102 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -172.81 0.12 0.01 OUTLIER 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.139 -0.976 . . . . 0.0 109.341 -179.685 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 86.2 mt -95.7 122.23 46.99 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.063 0 O-C-N 121.295 -0.878 . . . . 0.0 110.104 -179.602 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 54.0 mttm -127.91 -63.22 1.03 Allowed 'General case' 0 N--CA 1.504 2.252 0 O-C-N 121.426 -0.796 . . . . 0.0 109.989 179.677 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 49.0 tp10 -95.43 153.68 17.57 Favored 'General case' 0 N--CA 1.495 1.817 0 O-C-N 121.728 -0.608 . . . . 0.0 109.883 -178.785 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . 0.413 ' CD ' ' H ' ' A' ' 50' ' ' GLN . 28.6 mp0 -60.04 -33.3 71.85 Favored 'General case' 0 N--CA 1.498 1.936 0 O-C-N 121.288 -0.883 . . . . 0.0 109.477 -179.557 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 76.2 mm-40 -59.43 -38.92 81.89 Favored 'General case' 0 C--N 1.3 -1.552 0 O-C-N 121.306 -0.871 . . . . 0.0 109.831 -179.158 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 51.4 t -60.16 -41.86 88.16 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.718 0 O-C-N 120.994 -1.066 . . . . 0.0 109.192 179.549 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 52.9 t -60.89 -41.14 87.72 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.556 0 O-C-N 121.223 -0.923 . . . . 0.0 109.596 179.369 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 67.3 t0 -60.61 -45.44 94.03 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.282 -0.886 . . . . 0.0 110.142 -179.356 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 53.5 tptt -59.82 -45.78 91.3 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.057 -1.027 . . . . 0.0 108.603 -179.496 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 54.4 t -61.74 -39.94 85.1 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.647 0 O-C-N 121.528 -0.732 . . . . 0.0 109.78 179.2 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . 0.437 ' SD ' ' OD1' ' A' ' 61' ' ' ASP . 0.0 OUTLIER -59.29 -40.08 85.0 Favored 'General case' 0 C--N 1.3 -1.563 0 O-C-N 121.281 -0.887 . . . . 0.0 109.653 -178.449 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 53.0 tp10 -61.69 -44.93 95.99 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.032 -1.043 . . . . 0.0 109.594 179.653 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 94.4 m -63.68 -40.38 96.68 Favored 'General case' 0 N--CA 1.5 2.072 0 O-C-N 121.08 -1.013 . . . . 0.0 110.908 -179.042 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -67.41 -40.26 85.55 Favored 'General case' 0 N--CA 1.496 1.848 0 O-C-N 121.173 -0.955 . . . . 0.0 110.571 -178.348 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . 0.437 ' OD1' ' SD ' ' A' ' 57' ' ' MET . 1.1 m-20 -76.7 117.35 18.23 Favored 'General case' 0 C--N 1.3 -1.559 0 O-C-N 121.073 -1.017 . . . . 0.0 109.217 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 64.5 mm-40 -66.87 -40.3 87.8 Favored 'General case' 0 N--CA 1.495 1.811 0 O-C-N 121.336 -0.853 . . . . 0.0 110.579 -178.894 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . 0.44 ' OD2' ' OD2' ' A' ' 65' ' ' ASP . 28.3 p-10 -100.84 0.81 39.29 Favored 'General case' 0 N--CA 1.5 2.027 0 O-C-N 121.262 -0.899 . . . . 0.0 110.566 -179.238 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 57.2 51.5 57.16 Favored Glycine 0 N--CA 1.493 2.49 0 N-CA-C 109.929 -1.269 . . . . 0.0 109.929 179.863 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . 0.44 ' OD2' ' OD2' ' A' ' 63' ' ' ASP . 96.8 m-20 -71.92 -20.62 61.74 Favored 'General case' 0 N--CA 1.494 1.739 0 O-C-N 121.284 -1.127 . . . . 0.0 110.226 -179.79 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 89.56 -7.87 81.01 Favored Glycine 0 N--CA 1.493 2.437 0 N-CA-C 109.61 -1.396 . . . . 0.0 109.61 -179.93 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 86.1 tt0 -136.29 143.13 44.04 Favored 'General case' 0 N--CA 1.498 1.955 0 O-C-N 121.312 -1.11 . . . . 0.0 108.471 179.339 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 2.9 p -98.52 118.48 35.31 Favored 'General case' 0 N--CA 1.494 1.748 0 O-C-N 121.611 -0.681 . . . . 0.0 110.164 -178.89 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . 0.411 ' C ' ' OD1' ' A' ' 69' ' ' ASP . 39.0 p-10 -93.44 177.54 6.0 Favored 'General case' 0 N--CA 1.5 2.027 0 O-C-N 121.243 -0.91 . . . . 0.0 109.663 179.805 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 66.0 t80 -59.85 -41.44 91.45 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.34 -0.85 . . . . 0.0 110.244 -179.564 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 7.2 tt0 -60.17 -44.46 95.02 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 121.018 -1.051 . . . . 0.0 110.178 179.872 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -70.3 -29.83 66.67 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.219 -0.926 . . . . 0.0 109.569 179.74 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 75.4 t80 -59.76 -45.0 93.6 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.145 -0.972 . . . . 0.0 108.948 179.849 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 9.2 mmt -60.09 -40.53 89.92 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.275 -0.891 . . . . 0.0 108.983 178.76 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -60.65 -40.48 92.16 Favored 'General case' 0 C--N 1.304 -1.4 0 O-C-N 121.191 -0.943 . . . . 0.0 109.71 179.927 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 70.9 t80 -60.2 -42.38 94.97 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.369 -0.832 . . . . 0.0 110.946 -179.758 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 53.1 t -64.07 -45.94 95.19 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.592 0 O-C-N 121.054 -1.029 . . . . 0.0 108.962 -179.126 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 58.4 m -63.09 -41.03 99.31 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.348 -0.845 . . . . 0.0 110.374 -179.535 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 31.1 mmm -62.87 -40.29 97.04 Favored 'General case' 0 C--N 1.3 -1.554 0 O-C-N 120.875 -1.14 . . . . 0.0 110.126 -178.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 53.7 t -67.42 -42.51 87.35 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.75 0 O-C-N 120.974 -1.079 . . . . 0.0 110.491 179.816 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 19.4 p -64.8 -40.82 95.86 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 120.818 -1.176 . . . . 0.0 110.187 -179.318 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 75.6 p -68.64 -39.81 80.56 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.276 -0.89 . . . . 0.0 109.995 -179.911 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -68.52 -40.08 80.95 Favored 'General case' 0 C--N 1.301 -1.511 0 O-C-N 121.407 -0.808 . . . . 0.0 109.486 -179.451 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 17.8 t -73.36 142.29 47.04 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.338 -0.851 . . . . 0.0 108.74 179.59 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 52.6 m170 -76.51 141.07 41.38 Favored 'General case' 0 C--N 1.303 -1.44 0 O-C-N 121.443 -0.786 . . . . 0.0 110.243 -179.022 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 41.0 mt-10 -70.46 -154.73 0.02 OUTLIER 'General case' 0 C--N 1.302 -1.483 0 N-CA-C 108.795 -0.817 . . . . 0.0 108.795 179.402 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 36.4 t80 55.44 90.82 0.03 OUTLIER 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.256 -0.903 . . . . 0.0 109.765 179.772 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . 0.541 ' CG ' ' N ' ' A' ' 89' ' ' GLU . 47.6 t80 -152.81 -166.98 2.61 Favored 'General case' 0 N--CA 1.492 1.64 0 N-CA-C 108.42 -0.955 . . . . 0.0 108.42 179.126 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . 0.541 ' N ' ' CG ' ' A' ' 88' ' ' PHE . 25.4 mp0 48.04 -140.07 0.65 Allowed 'General case' 0 N--CA 1.493 1.722 0 O-C-N 120.846 -1.159 . . . . 0.0 109.007 -178.679 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 49.3 m80 -70.03 151.46 45.51 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.151 -0.968 . . . . 0.0 108.88 179.543 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 16.7 pt-20 . . . . . 0 N--CA 1.495 1.808 0 CA-C-O 117.887 -1.054 . . . . 0.0 110.002 -179.391 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 0' ' ' MET . . . . . . . . . . . . . 13.9 ptt? . . . . . 0 N--CA 1.489 1.503 0 CA-C-O 121.196 0.522 . . . . 0.0 109.954 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 30.3 t 51.51 83.56 0.05 Allowed 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.159 -0.963 . . . . 0.0 109.615 -179.724 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 46.0 mt-10 -61.58 -36.71 81.45 Favored 'General case' 0 N--CA 1.494 1.742 0 O-C-N 121.429 -0.794 . . . . 0.0 108.901 179.83 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 3' ' ' LEU . . . . . 0.52 HD13 ' O ' ' B' ' 3' ' ' LEU . 0.3 OUTLIER -58.36 -46.62 85.94 Favored 'General case' 0 N--CA 1.488 1.469 0 N-CA-C 108.196 -1.038 . . . . 0.0 108.196 179.443 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 87.7 tt0 -60.01 -40.21 88.46 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 120.887 -1.133 . . . . 0.0 109.672 179.081 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 57.7 mmtt -59.99 -39.07 84.49 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.22 -0.925 . . . . 0.0 109.672 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -59.94 -48.93 79.69 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.223 -0.923 . . . . 0.0 110.224 -178.731 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 7' ' ' MET . . . . . . . . . . . . . 94.0 mtp -64.71 -40.2 94.95 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 120.945 -1.097 . . . . 0.0 110.209 -179.877 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 58.0 t -68.7 -47.51 76.16 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.558 0 O-C-N 121.187 -0.946 . . . . 0.0 109.837 -179.813 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -64.38 -40.01 94.98 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.387 -0.821 . . . . 0.0 110.314 -178.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 7.6 tt -61.05 -40.81 95.06 Favored 'General case' 0 C--N 1.302 -1.459 0 O-C-N 121.116 -0.99 . . . . 0.0 109.399 -179.141 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 96.9 mt -67.44 -40.48 84.62 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.49 0 O-C-N 121.248 -0.908 . . . . 0.0 110.45 -179.525 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 96.8 m-20 -64.38 -40.07 95.09 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.024 -1.048 . . . . 0.0 109.81 -179.764 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 61.0 t -68.35 -42.79 84.46 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.747 0 O-C-N 121.091 -1.006 . . . . 0.0 110.109 -179.738 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 14' ' ' PHE . . . . . . . . . . . . . 71.6 t80 -60.45 -42.16 95.57 Favored 'General case' 0 N--CA 1.495 1.776 0 O-C-N 120.953 -1.092 . . . . 0.0 110.025 -179.802 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 34.4 m170 -65.29 -38.79 91.31 Favored 'General case' 0 C--N 1.298 -1.653 0 O-C-N 121.287 -0.883 . . . . 0.0 110.197 179.722 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 63.5 tt0 -60.02 -56.34 22.85 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.096 -1.002 . . . . 0.0 110.722 -178.154 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 71.0 m-85 -70.19 -39.59 75.11 Favored 'General case' 0 C--N 1.297 -1.688 0 O-C-N 121.03 -1.043 . . . . 0.0 110.978 -179.678 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 18' ' ' SER . . . . . 0.464 ' O ' ' O ' ' B' ' 23' ' ' ASP . 55.8 p -71.79 -41.24 68.53 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 120.791 -1.193 . . . . 0.0 110.403 -178.819 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -67.84 -0.77 14.92 Favored Glycine 0 N--CA 1.495 2.631 0 N-CA-C 109.856 -1.298 . . . . 0.0 109.856 -179.661 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 20' ' ' ARG . . . . . 0.498 HH11 ' HG2' ' B' ' 20' ' ' ARG . 6.2 ttt-85 -60.17 -39.8 87.72 Favored 'General case' 0 C--N 1.295 -1.763 0 O-C-N 121.361 -1.082 . . . . 0.0 109.649 179.857 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 21' ' ' GLU . . . . . 0.501 ' C ' ' H ' ' B' ' 23' ' ' ASP . 37.9 mt-10 -117.54 49.58 1.2 Allowed 'General case' 0 N--CA 1.503 2.21 0 O-C-N 121.404 -0.81 . . . . 0.0 110.834 -178.67 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . 58.48 -1.1 0.31 Allowed Glycine 0 N--CA 1.489 2.168 0 C-N-CA 119.951 -1.119 . . . . 0.0 110.391 179.219 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 23' ' ' ASP . . . . . 0.501 ' H ' ' C ' ' B' ' 21' ' ' GLU . 83.5 m-20 -92.8 95.9 9.82 Favored 'General case' 0 N--CA 1.496 1.833 0 O-C-N 120.98 -1.306 . . . . 0.0 108.681 179.744 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 97.6 mttt -97.03 -35.7 10.74 Favored 'General case' 0 N--CA 1.496 1.846 0 O-C-N 120.997 -1.064 . . . . 0.0 110.32 -179.378 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 25' ' ' HIS . . . . . . . . . . . . . 77.4 m80 -99.76 0.75 42.31 Favored 'General case' 0 N--CA 1.498 1.942 0 O-C-N 121.264 -0.897 . . . . 0.0 110.177 -179.214 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -127.48 145.71 50.75 Favored 'General case' 0 N--CA 1.501 2.091 0 O-C-N 121.462 -0.774 . . . . 0.0 109.225 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 41.4 tp -115.06 134.39 55.22 Favored 'General case' 0 N--CA 1.498 1.933 0 N-CA-C 108.253 -1.017 . . . . 0.0 108.253 179.892 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 39.2 tttm -97.47 151.22 20.21 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.39 -0.819 . . . . 0.0 110.724 -178.847 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -59.81 -39.57 85.48 Favored 'General case' 0 N--CA 1.498 1.965 0 CA-C-N 116.233 -0.439 . . . . 0.0 109.965 -179.481 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 89.1 p -59.83 -39.89 86.61 Favored 'General case' 0 N--CA 1.496 1.836 0 O-C-N 121.242 -0.911 . . . . 0.0 109.538 -179.538 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 89.8 mt-10 -67.7 -30.9 70.52 Favored 'General case' 0 C--N 1.302 -1.495 0 O-C-N 121.192 -0.942 . . . . 0.0 109.728 179.821 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 32' ' ' LEU . . . . . 0.584 ' O ' HD23 ' B' ' 32' ' ' LEU . 3.5 tt -59.96 -50.4 73.89 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 120.931 -1.105 . . . . 0.0 109.693 -179.308 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 7.8 ttpm? -59.78 -41.39 91.03 Favored 'General case' 0 N--CA 1.496 1.839 0 O-C-N 120.318 -1.489 . . . . 0.0 110.025 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 80.7 mm-40 -63.09 -39.64 95.31 Favored 'General case' 0 C--N 1.299 -1.604 0 O-C-N 120.886 -1.134 . . . . 0.0 109.883 -179.889 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 5.9 tt -60.33 -45.95 91.62 Favored 'General case' 0 C--N 1.301 -1.536 0 O-C-N 121.283 -0.886 . . . . 0.0 109.3 -179.223 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 97.1 mt -60.24 -42.6 90.99 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.405 0 O-C-N 121.149 -0.97 . . . . 0.0 109.786 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 40.5 t30 -60.33 -39.69 87.95 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.466 -0.771 . . . . 0.0 109.902 -179.771 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 38' ' ' ASN . . . . . 0.537 ' ND2' ' OE1' ' B' ' 39' ' ' GLU . 55.1 t30 -42.78 -91.89 0.0 OUTLIER 'General case' 0 N--CA 1.496 1.84 0 O-C-N 121.561 -0.712 . . . . 0.0 110.638 -178.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 39' ' ' GLU . . . . . 0.537 ' OE1' ' ND2' ' B' ' 38' ' ' ASN . 9.1 mp0 -143.66 44.34 1.49 Allowed 'General case' 0 N--CA 1.5 2.062 0 O-C-N 120.721 -1.237 . . . . 0.0 110.033 -179.441 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 4.0 tp -130.64 10.66 5.18 Favored 'General case' 0 N--CA 1.506 2.344 0 O-C-N 121.036 -1.04 . . . . 0.0 109.36 -179.931 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 41' ' ' SER . . . . . 0.441 ' O ' ' O ' ' B' ' 44' ' ' LEU . 58.5 m -70.54 -25.55 63.16 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.04 -1.038 . . . . 0.0 109.614 -179.673 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 42' ' ' HIS . . . . . . . . . . . . . 74.0 m80 -61.57 -40.24 94.02 Favored 'General case' 0 C--N 1.302 -1.475 0 O-C-N 121.107 -0.996 . . . . 0.0 109.184 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 80.6 m-85 -69.37 -36.48 76.86 Favored 'General case' 0 N--CA 1.495 1.807 0 O-C-N 121.196 -0.94 . . . . 0.0 110.694 -179.431 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 44' ' ' LEU . . . . . 0.441 ' O ' ' O ' ' B' ' 41' ' ' SER . 6.1 mp -106.17 135.46 47.61 Favored 'General case' 0 N--CA 1.505 2.288 0 O-C-N 121.056 -1.027 . . . . 0.0 110.15 -179.613 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 88.2 tt0 -140.3 76.61 1.57 Allowed 'General case' 0 N--CA 1.498 1.932 0 O-C-N 121.155 -0.965 . . . . 0.0 108.945 178.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 46' ' ' GLU . . . . . 0.409 ' H ' ' H ' ' B' ' 47' ' ' ILE . 0.9 OUTLIER -173.21 -1.8 0.01 OUTLIER 'General case' 0 N--CA 1.494 1.746 0 O-C-N 121.109 -0.994 . . . . 0.0 109.638 179.991 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 47' ' ' ILE . . . . . 0.409 ' H ' ' H ' ' B' ' 46' ' ' GLU . 95.8 mt -94.18 123.79 46.42 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.079 0 O-C-N 121.126 -0.984 . . . . 0.0 110.024 -179.43 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 53.3 mttm -129.78 -63.29 0.93 Allowed 'General case' 0 N--CA 1.502 2.145 0 O-C-N 121.337 -0.852 . . . . 0.0 109.911 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 49.8 tp10 -95.24 153.03 17.86 Favored 'General case' 0 N--CA 1.497 1.919 0 O-C-N 121.581 -0.699 . . . . 0.0 109.569 -178.952 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 50' ' ' GLN . . . . . 0.44 ' CD ' ' H ' ' B' ' 50' ' ' GLN . 28.5 mp0 -60.09 -32.49 71.01 Favored 'General case' 0 N--CA 1.5 2.055 0 O-C-N 120.973 -1.079 . . . . 0.0 109.82 -179.268 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 75.9 mm-40 -59.61 -39.28 83.7 Favored 'General case' 0 C--N 1.299 -1.599 0 O-C-N 121.606 -0.684 . . . . 0.0 109.292 -179.04 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 55.4 t -60.0 -41.95 87.93 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.85 0 C-N-CA 119.175 -1.01 . . . . 0.0 108.911 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 53.4 t -60.69 -41.52 88.55 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.75 0 O-C-N 121.165 -0.959 . . . . 0.0 109.229 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 67.0 t0 -59.99 -44.98 94.17 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.329 -0.857 . . . . 0.0 110.386 -179.652 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 51.9 tptt -60.09 -46.34 89.91 Favored 'General case' 0 N--CA 1.495 1.793 0 O-C-N 120.767 -1.208 . . . . 0.0 108.473 -179.859 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 53.6 t -61.51 -39.83 84.33 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.599 0 O-C-N 121.359 -0.838 . . . . 0.0 109.701 179.326 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 57' ' ' MET . . . . . 0.445 ' SD ' ' OD1' ' B' ' 61' ' ' ASP . 0.0 OUTLIER -59.3 -40.09 85.1 Favored 'General case' 0 C--N 1.3 -1.583 0 O-C-N 121.168 -0.958 . . . . 0.0 109.558 -178.252 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 53.1 tp10 -61.73 -44.65 96.5 Favored 'General case' 0 N--CA 1.488 1.465 0 O-C-N 120.785 -1.197 . . . . 0.0 109.647 179.594 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 94.1 m -63.93 -40.34 96.22 Favored 'General case' 0 N--CA 1.5 2.054 0 O-C-N 121.152 -0.967 . . . . 0.0 110.871 -178.771 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -67.6 -39.93 84.79 Favored 'General case' 0 N--CA 1.495 1.788 0 O-C-N 121.266 -0.896 . . . . 0.0 110.63 -178.879 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 61' ' ' ASP . . . . . 0.445 ' OD1' ' SD ' ' B' ' 57' ' ' MET . 1.1 m-20 -77.05 117.37 18.56 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 120.792 -1.192 . . . . 0.0 109.126 -179.709 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 65.3 mm-40 -66.41 -41.23 89.58 Favored 'General case' 0 N--CA 1.496 1.833 0 O-C-N 121.3 -0.875 . . . . 0.0 111.068 -179.103 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 63' ' ' ASP . . . . . 0.446 ' OD2' ' OD2' ' B' ' 65' ' ' ASP . 28.1 p-10 -100.12 -0.31 39.19 Favored 'General case' 0 N--CA 1.499 1.989 0 O-C-N 121.246 -0.909 . . . . 0.0 110.311 -178.947 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 59.25 50.7 65.01 Favored Glycine 0 N--CA 1.492 2.416 0 N-CA-C 109.992 -1.243 . . . . 0.0 109.992 179.523 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 65' ' ' ASP . . . . . 0.446 ' OD2' ' OD2' ' B' ' 63' ' ' ASP . 96.7 m-20 -71.08 -22.36 62.12 Favored 'General case' 0 N--CA 1.494 1.768 0 O-C-N 121.378 -1.072 . . . . 0.0 110.683 -179.535 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 90.81 -7.91 80.55 Favored Glycine 0 N--CA 1.498 2.771 0 N-CA-C 109.489 -1.444 . . . . 0.0 109.489 -179.669 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 87.1 tt0 -137.61 141.79 41.26 Favored 'General case' 0 N--CA 1.494 1.761 0 O-C-N 121.492 -1.005 . . . . 0.0 108.755 179.752 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 68' ' ' CYS . . . . . . . . . . . . . 5.0 p -97.96 119.19 36.16 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.263 -0.898 . . . . 0.0 110.621 -178.581 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 69' ' ' ASP . . . . . 0.412 ' OD1' ' C ' ' B' ' 69' ' ' ASP . 39.8 p-10 -93.52 177.72 5.93 Favored 'General case' 0 N--CA 1.5 2.025 0 O-C-N 121.042 -1.036 . . . . 0.0 109.732 179.8 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 62.4 t80 -60.18 -41.22 92.42 Favored 'General case' 0 C--N 1.304 -1.383 0 O-C-N 121.513 -0.742 . . . . 0.0 110.1 -179.594 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 7.3 tt0 -60.24 -44.62 95.08 Favored 'General case' 0 N--CA 1.494 1.766 0 O-C-N 120.878 -1.139 . . . . 0.0 109.918 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -69.99 -29.9 67.1 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.16 -0.963 . . . . 0.0 109.704 179.707 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 73' ' ' PHE . . . . . . . . . . . . . 73.3 t80 -60.01 -44.12 94.78 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 120.98 -1.075 . . . . 0.0 109.13 179.617 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 74' ' ' MET . . . . . . . . . . . . . 8.5 mmt -60.63 -40.1 90.68 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.19 -0.944 . . . . 0.0 109.276 178.952 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -60.78 -40.65 93.38 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.196 -0.94 . . . . 0.0 109.655 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 66.2 t80 -59.99 -43.19 95.32 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 121.284 -0.885 . . . . 0.0 110.792 -179.659 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 77' ' ' VAL . . . . . . . . . . . . . 55.1 t -62.87 -47.22 93.89 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.461 0 O-C-N 120.849 -1.157 . . . . 0.0 108.687 -179.854 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 78' ' ' SER . . . . . . . . . . . . . 58.3 m -61.94 -41.64 98.19 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.239 -0.913 . . . . 0.0 110.692 -179.558 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 79' ' ' MET . . . . . . . . . . . . . 23.7 mmm -62.36 -39.98 94.92 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.102 -0.999 . . . . 0.0 109.95 -179.416 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 55.3 t -68.69 -42.47 83.13 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.71 0 O-C-N 120.861 -1.149 . . . . 0.0 110.59 -179.645 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 16.6 p -64.2 -42.53 96.6 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 120.693 -1.254 . . . . 0.0 109.808 -179.583 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 74.3 p -67.28 -40.35 86.14 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.324 -0.86 . . . . 0.0 109.986 -179.583 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -68.27 -40.84 81.74 Favored 'General case' 0 C--N 1.302 -1.494 0 O-C-N 121.334 -0.854 . . . . 0.0 109.605 -179.4 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 84' ' ' CYS . . . . . . . . . . . . . 9.5 t -72.59 142.62 48.4 Favored 'General case' 0 C--N 1.304 -1.407 0 N-CA-C 108.465 -0.939 . . . . 0.0 108.465 179.642 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 85' ' ' HIS . . . . . . . . . . . . . 49.9 m170 -77.17 141.94 39.88 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.201 -0.937 . . . . 0.0 109.912 -178.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 42.1 mt-10 -70.82 -153.65 0.02 OUTLIER 'General case' 0 N--CA 1.487 1.387 0 N-CA-C 108.892 -0.781 . . . . 0.0 108.892 179.348 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 87' ' ' PHE . . . . . . . . . . . . . 35.4 t80 54.77 91.55 0.03 OUTLIER 'General case' 0 N--CA 1.486 1.367 0 O-C-N 121.461 -0.775 . . . . 0.0 109.657 179.74 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 88' ' ' PHE . . . . . 0.546 ' CG ' ' N ' ' B' ' 89' ' ' GLU . 49.6 t80 -153.34 -167.15 2.62 Favored 'General case' 0 N--CA 1.493 1.724 0 N-CA-C 108.298 -1.001 . . . . 0.0 108.298 179.197 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 89' ' ' GLU . . . . . 0.546 ' N ' ' CG ' ' B' ' 88' ' ' PHE . 25.2 mp0 48.73 -140.12 0.71 Allowed 'General case' 0 N--CA 1.494 1.757 0 O-C-N 120.715 -1.241 . . . . 0.0 108.892 -178.743 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 90' ' ' HIS . . . . . . . . . . . . . 41.8 m80 -70.06 150.22 46.83 Favored 'General case' 0 C--N 1.302 -1.472 0 O-C-N 121.31 -0.869 . . . . 0.0 109.38 179.158 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 16.0 pt-20 . . . . . 0 N--CA 1.494 1.748 0 O-C-N 121.075 -1.016 . . . . 0.0 109.926 -179.625 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 92' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 93' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 0' ' ' MET . . . . . 0.568 ' SD ' ' N ' ' A' ' 0' ' ' MET . 0.0 OUTLIER . . . . . 0 N--CA 1.49 1.566 0 N-CA-C 109.013 -0.736 . . . . 0.0 109.013 . . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 6.2 m 52.56 72.23 0.42 Allowed 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.06 -1.025 . . . . 0.0 109.697 179.796 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 75.1 mm-40 -59.9 -37.24 78.85 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.309 -0.869 . . . . 0.0 109.71 179.894 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.538 HD11 HG11 ' B' ' 13' ' ' VAL . 69.4 mt -59.97 -40.23 88.39 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.405 -0.81 . . . . 0.0 110.161 -178.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 -66.37 -40.16 89.56 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 120.88 -1.138 . . . . 0.0 110.076 -179.492 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.527 ' NZ ' ' O ' ' A' ' 0' ' ' MET . 63.2 mttp -68.25 -38.49 81.84 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.115 -0.991 . . . . 0.0 109.667 179.289 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -59.99 -44.91 94.22 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.292 -0.88 . . . . 0.0 110.195 -178.938 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -59.99 -46.28 89.98 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 120.999 -1.063 . . . . 0.0 109.236 -179.95 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 96.5 t -67.16 -38.66 81.54 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.613 0 O-C-N 121.331 -0.856 . . . . 0.0 109.646 -179.833 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -57.08 -48.56 78.29 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.203 -0.936 . . . . 0.0 110.499 -178.669 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 9.6 mp -60.12 -45.99 91.13 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 120.868 -1.145 . . . . 0.0 109.649 -179.509 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 44.1 mm -67.19 -42.88 88.57 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.705 0 O-C-N 120.694 -1.254 . . . . 0.0 109.891 -179.903 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 7.6 t0 -60.04 -49.58 77.09 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.438 -0.789 . . . . 0.0 110.579 -179.109 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.425 HG11 HD11 ' B' ' 3' ' ' LEU . 84.1 t -69.29 -40.84 80.71 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.703 0 O-C-N 120.908 -1.12 . . . . 0.0 110.32 -179.03 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . 0.606 ' CE1' ' CE2' ' A' ' 70' ' ' PHE . 25.6 t80 -59.96 -45.37 92.87 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 121.197 -0.939 . . . . 0.0 109.79 -179.15 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 11.5 t-160 -65.16 -41.3 94.81 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.346 -0.846 . . . . 0.0 111.533 -179.128 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 5.1 tm0? -64.79 -52.91 54.33 Favored 'General case' 0 N--CA 1.495 1.814 0 O-C-N 120.937 -1.102 . . . . 0.0 110.982 -178.189 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 54.6 m-85 -70.12 -40.05 75.09 Favored 'General case' 0 N--CA 1.496 1.844 0 O-C-N 120.893 -1.129 . . . . 0.0 110.377 -179.791 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . 0.493 ' C ' ' H ' ' A' ' 20' ' ' ARG . 78.9 p -67.85 -34.4 76.62 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.158 -0.964 . . . . 0.0 110.408 -179.562 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -69.63 17.82 0.64 Allowed Glycine 0 N--CA 1.493 2.493 0 N-CA-C 110.19 -1.164 . . . . 0.0 110.19 -179.501 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.493 ' H ' ' C ' ' A' ' 18' ' ' SER . 11.7 tpp180 -60.11 -39.93 87.92 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.003 -1.292 . . . . 0.0 109.771 -179.53 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.5 ' C ' ' H ' ' A' ' 23' ' ' ASP . 68.2 tt0 -146.29 56.86 1.18 Allowed 'General case' 0 N--CA 1.498 1.943 0 O-C-N 120.812 -1.18 . . . . 0.0 110.124 -179.518 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 61.86 -4.13 0.56 Allowed Glycine 0 N--CA 1.493 2.473 0 N-CA-C 110.046 -1.222 . . . . 0.0 110.046 179.367 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . 0.5 ' H ' ' C ' ' A' ' 21' ' ' GLU . 94.6 m-20 -83.98 63.12 7.41 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.016 -1.285 . . . . 0.0 109.227 -179.736 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 45.8 mtmt -69.93 -38.61 76.25 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.386 -0.822 . . . . 0.0 110.407 -179.617 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 40.7 t-80 -90.08 1.63 56.14 Favored 'General case' 0 N--CA 1.498 1.967 0 O-C-N 121.029 -1.044 . . . . 0.0 111.625 -178.001 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 86.7 mttt -136.84 145.0 43.92 Favored 'General case' 0 N--CA 1.503 2.196 0 O-C-N 120.765 -1.21 . . . . 0.0 111.149 -179.057 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.444 HD11 ' CE2' ' A' ' 14' ' ' PHE . 18.2 mt -120.19 141.79 49.58 Favored 'General case' 0 N--CA 1.497 1.904 0 N-CA-C 108.644 -0.873 . . . . 0.0 108.644 179.179 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.454 ' NZ ' ' OD2' ' A' ' 23' ' ' ASP . 37.9 mttp -98.6 165.89 11.6 Favored 'General case' 0 N--CA 1.499 2.023 0 O-C-N 121.185 -0.947 . . . . 0.0 109.963 179.946 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 13.6 pttm -60.11 -39.79 87.42 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.494 -0.754 . . . . 0.0 109.475 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 22.8 t -61.62 -40.0 93.28 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 121.255 -0.903 . . . . 0.0 109.573 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 42.1 mt-10 -60.69 -40.07 90.85 Favored 'General case' 0 N--CA 1.488 1.436 0 O-C-N 121.182 -0.949 . . . . 0.0 109.81 -179.93 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 90.2 mt -64.6 -39.98 94.7 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.059 -1.026 . . . . 0.0 109.961 -179.308 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 2.4 tmmt? -60.13 -49.82 76.11 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 120.695 -1.253 . . . . 0.0 110.295 -179.106 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 99.3 mt-10 -69.46 -39.36 77.79 Favored 'General case' 0 C--N 1.301 -1.518 0 O-C-N 121.12 -0.988 . . . . 0.0 109.673 -179.922 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.401 ' O ' ' CD ' ' A' ' 39' ' ' GLU . 59.1 tp -60.2 -48.79 80.25 Favored 'General case' 0 N--CA 1.494 1.762 0 O-C-N 121.411 -0.806 . . . . 0.0 111.446 -178.233 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.45 ' O ' ' OE1' ' A' ' 39' ' ' GLU . 1.3 mp -60.08 -40.97 84.86 Favored 'Isoleucine or valine' 0 N--CA 1.504 2.229 0 O-C-N 120.722 -1.236 . . . . 0.0 109.891 -178.406 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 67.0 m-80 -60.37 -38.55 84.25 Favored 'General case' 0 C--N 1.299 -1.624 0 O-C-N 120.624 -1.298 . . . . 0.0 109.847 -179.674 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 21.0 m120 -60.21 -40.87 91.64 Favored 'General case' 0 N--CA 1.495 1.794 0 O-C-N 121.21 -0.931 . . . . 0.0 112.684 -177.837 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . 0.499 ' OE1' ' N ' ' A' ' 39' ' ' GLU . 0.0 OUTLIER -108.38 -73.26 0.69 Allowed 'General case' 0 N--CA 1.513 2.679 0 O-C-N 120.785 -1.197 . . . . 0.0 110.545 -178.576 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.479 ' N ' ' OE1' ' A' ' 39' ' ' GLU . 3.0 mp -84.79 81.82 8.71 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.048 -1.033 . . . . 0.0 110.115 -178.479 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . 0.43 ' OG ' ' N ' ' A' ' 42' ' ' HIS . 1.4 p -102.51 -52.82 3.02 Favored 'General case' 0 N--CA 1.496 1.852 0 N-CA-C 108.78 -0.822 . . . . 0.0 108.78 179.094 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' HIS . . . . . 0.43 ' N ' ' OG ' ' A' ' 41' ' ' SER . 94.0 m-70 -70.01 -36.3 75.0 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.655 -0.653 . . . . 0.0 110.256 -179.808 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . 0.46 ' C ' HD12 ' A' ' 44' ' ' LEU . 63.3 m-85 -59.9 -39.96 87.16 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 121.176 -0.952 . . . . 0.0 109.995 -179.195 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.507 ' N ' HD12 ' A' ' 44' ' ' LEU . 7.7 mp -100.06 14.04 32.03 Favored 'General case' 0 N--CA 1.499 1.995 0 O-C-N 121.263 -0.898 . . . . 0.0 109.294 -179.584 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.444 ' O ' ' O ' ' A' ' 46' ' ' GLU . 64.6 mm-40 57.06 39.99 28.83 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.631 -0.668 . . . . 0.0 110.221 -179.699 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.444 ' O ' ' O ' ' A' ' 45' ' ' GLU . 95.7 mt-10 46.34 96.34 0.01 OUTLIER 'General case' 0 N--CA 1.494 1.75 0 O-C-N 121.361 -0.837 . . . . 0.0 110.423 178.794 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 91.4 mt -60.4 120.26 5.89 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.636 0 O-C-N 120.956 -1.09 . . . . 0.0 108.804 179.336 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -101.82 -4.43 26.34 Favored 'General case' 0 N--CA 1.499 1.988 0 O-C-N 121.316 -0.865 . . . . 0.0 110.576 -179.279 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 13.6 mm-40 -111.81 131.66 55.19 Favored 'General case' 0 N--CA 1.508 2.458 0 O-C-N 121.09 -1.006 . . . . 0.0 109.356 179.409 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 4.1 mp0 -69.97 -37.09 75.67 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.398 -0.814 . . . . 0.0 109.842 179.802 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 13.4 pt-20 -59.54 -33.62 71.63 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.163 -0.961 . . . . 0.0 110.226 -179.195 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 54.4 t -60.1 -40.8 84.41 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.555 0 O-C-N 120.827 -1.171 . . . . 0.0 108.709 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 54.5 t -61.62 -41.84 91.88 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.498 0 O-C-N 121.171 -0.955 . . . . 0.0 109.174 179.221 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 7.0 t0 -63.28 -41.74 99.03 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.253 -0.904 . . . . 0.0 110.093 -179.89 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -59.9 -48.71 80.58 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.059 -1.026 . . . . 0.0 109.003 -179.832 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 54.5 t -66.07 -41.47 89.63 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.437 0 O-C-N 121.206 -0.934 . . . . 0.0 109.415 179.6 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 28.2 ttt -61.48 -40.03 93.06 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.412 -0.805 . . . . 0.0 109.43 179.776 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 13.8 tm-20 -60.15 -39.96 88.2 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.437 -0.789 . . . . 0.0 110.023 -179.626 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 94.9 m -60.17 -44.46 95.0 Favored 'General case' 0 N--CA 1.496 1.859 0 O-C-N 121.168 -0.957 . . . . 0.0 110.737 -179.186 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.473 ' CD2' ' N ' ' A' ' 60' ' ' LEU . 3.1 mm? -69.14 -40.1 78.46 Favored 'General case' 0 N--CA 1.495 1.807 0 O-C-N 121.024 -1.048 . . . . 0.0 109.929 -179.231 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 91.0 m-20 -80.99 58.03 3.3 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.245 -0.909 . . . . 0.0 109.364 179.885 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 85.4 tt0 -60.09 -32.32 70.85 Favored 'General case' 0 C--N 1.304 -1.374 0 N-CA-C 108.352 -0.981 . . . . 0.0 108.352 179.432 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . 0.425 ' OD2' ' OD2' ' A' ' 65' ' ' ASP . 29.0 p30 -77.26 -11.03 59.78 Favored 'General case' 0 N--CA 1.487 1.424 0 O-C-N 121.43 -0.794 . . . . 0.0 109.336 179.73 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 68.47 29.59 73.02 Favored Glycine 0 N--CA 1.493 2.469 0 N-CA-C 110.405 -1.078 . . . . 0.0 110.405 179.142 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . 0.425 ' OD2' ' OD2' ' A' ' 63' ' ' ASP . 98.2 m-20 -62.78 -37.25 85.93 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 120.982 -1.305 . . . . 0.0 109.429 179.503 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 95.46 -8.11 68.94 Favored Glycine 0 N--CA 1.496 2.651 0 N-CA-C 109.84 -1.304 . . . . 0.0 109.84 179.874 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 64.7 mm-40 -134.79 147.78 50.05 Favored 'General case' 0 N--CA 1.499 2.006 0 O-C-N 121.311 -1.111 . . . . 0.0 109.315 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 2.1 m -99.45 118.5 36.19 Favored 'General case' 0 N--CA 1.5 2.063 0 O-C-N 121.296 -0.877 . . . . 0.0 109.93 -179.591 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 2.3 p-10 -90.53 179.49 5.83 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.38 -0.825 . . . . 0.0 109.998 179.553 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' PHE . . . . . 0.606 ' CE2' ' CE1' ' A' ' 14' ' ' PHE . 0.3 OUTLIER -59.96 -45.19 93.48 Favored 'General case' 0 N--CA 1.494 1.763 0 O-C-N 121.46 -0.775 . . . . 0.0 110.065 -179.615 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 70.3 tp60 -59.85 -47.28 86.36 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 120.954 -1.091 . . . . 0.0 109.063 -179.279 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 86.0 mt-10 -61.88 -39.83 93.3 Favored 'General case' 0 N--CA 1.487 1.381 0 O-C-N 121.084 -1.01 . . . . 0.0 109.313 179.296 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 51.2 t80 -60.09 -49.99 75.49 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.117 -0.99 . . . . 0.0 109.278 179.652 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 55.9 tpp -60.64 -39.84 89.79 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 121.349 -0.844 . . . . 0.0 109.497 179.567 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -59.07 -39.87 83.44 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.447 -0.783 . . . . 0.0 109.777 -179.17 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 65.5 t80 -59.87 -46.72 88.42 Favored 'General case' 0 C--N 1.301 -1.51 0 O-C-N 121.155 -0.966 . . . . 0.0 108.869 179.798 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 53.6 t -63.92 -40.34 88.68 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.477 0 O-C-N 121.342 -0.849 . . . . 0.0 108.99 179.449 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 40.5 t -62.07 -43.87 97.9 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.434 -0.791 . . . . 0.0 110.606 -179.601 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 28.4 ttt -60.46 -41.1 93.43 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.084 -1.01 . . . . 0.0 110.404 -179.008 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 74.3 t -65.88 -39.98 86.22 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.496 0 O-C-N 121.227 -0.921 . . . . 0.0 109.173 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 83.4 m -60.01 -47.46 85.73 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.349 -0.844 . . . . 0.0 109.881 -179.429 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 40.0 p -67.27 -40.05 86.11 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 120.883 -1.136 . . . . 0.0 109.749 -179.644 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . 0.42 ' O ' ' O ' ' A' ' 84' ' ' CYS . . . -61.96 -39.97 93.95 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.301 -0.875 . . . . 0.0 110.104 -179.823 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' CYS . . . . . 0.42 ' O ' ' O ' ' A' ' 83' ' ' ALA . 71.0 m -39.93 159.88 0.01 OUTLIER 'General case' 0 N--CA 1.498 1.955 0 O-C-N 121.504 -0.748 . . . . 0.0 110.564 -179.267 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 92.0 m-70 -94.24 96.56 9.66 Favored 'General case' 0 N--CA 1.494 1.773 0 O-C-N 121.393 -0.817 . . . . 0.0 109.867 -179.297 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 43.73 -154.91 0.02 OUTLIER 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.565 -0.709 . . . . 0.0 109.722 179.3 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 52.2 p90 -87.45 132.36 34.02 Favored 'General case' 0 N--CA 1.494 1.759 0 O-C-N 121.096 -1.003 . . . . 0.0 109.359 179.881 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 5.7 m-85 -52.12 139.91 22.17 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 120.996 -1.065 . . . . 0.0 108.33 179.757 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 47.9 mt-10 -67.93 119.24 12.27 Favored 'General case' 0 C--N 1.302 -1.478 0 O-C-N 121.248 -0.908 . . . . 0.0 109.586 -179.209 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 46.0 t60 -169.18 159.67 9.16 Favored 'General case' 0 N--CA 1.487 1.408 0 N-CA-C 108.711 -0.848 . . . . 0.0 108.711 179.856 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 18.6 pt-20 . . . . . 0 N--CA 1.49 1.566 0 CA-C-O 117.927 -1.035 . . . . 0.0 109.351 179.598 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' B' B ' 0' ' ' MET . . . . . 0.571 ' SD ' ' N ' ' B' ' 0' ' ' MET . 0.0 OUTLIER . . . . . 0 N--CA 1.491 1.6 0 N-CA-C 108.965 -0.754 . . . . 0.0 108.965 . . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 10.7 m 52.71 72.09 0.44 Allowed 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.056 -1.028 . . . . 0.0 109.604 179.729 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 74.9 mm-40 -60.07 -37.31 79.5 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.399 -0.813 . . . . 0.0 109.626 -179.94 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 3' ' ' LEU . . . . . 0.465 HD13 ' HG2' ' A' ' 39' ' ' GLU . 65.7 mt -60.04 -40.27 88.81 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.225 -0.922 . . . . 0.0 110.216 -179.037 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 -66.07 -40.17 90.65 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 120.905 -1.122 . . . . 0.0 109.921 -179.559 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 5' ' ' LYS . . . . . 0.527 ' NZ ' ' O ' ' B' ' 0' ' ' MET . 63.2 mttp -68.4 -38.7 81.55 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.106 -0.997 . . . . 0.0 109.79 179.174 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -59.96 -44.91 94.14 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.16 -0.962 . . . . 0.0 110.102 -178.945 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 7' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -60.08 -45.75 91.88 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 120.979 -1.076 . . . . 0.0 109.227 -179.883 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 92.9 t -67.73 -38.55 80.49 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.643 0 O-C-N 121.261 -0.899 . . . . 0.0 109.656 -179.921 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -56.45 -49.04 75.77 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.265 -0.897 . . . . 0.0 110.544 -178.823 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 9.6 mp -60.14 -46.03 91.04 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 120.887 -1.133 . . . . 0.0 109.74 -179.356 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 44.5 mm -67.16 -42.7 88.44 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.726 0 O-C-N 120.702 -1.249 . . . . 0.0 109.777 -179.937 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 7.6 t0 -60.09 -49.75 76.43 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.25 -0.906 . . . . 0.0 110.586 -179.149 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 13' ' ' VAL . . . . . 0.538 HG11 HD11 ' A' ' 3' ' ' LEU . 93.8 t -69.28 -40.91 80.81 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.748 0 O-C-N 120.956 -1.09 . . . . 0.0 110.26 -178.953 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 14' ' ' PHE . . . . . 0.618 ' CE1' ' CE2' ' B' ' 70' ' ' PHE . 25.9 t80 -60.01 -45.2 93.55 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 121.196 -0.94 . . . . 0.0 109.749 -179.089 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 11.5 t-160 -65.26 -41.48 94.23 Favored 'General case' 0 N--CA 1.494 1.76 0 O-C-N 121.247 -0.908 . . . . 0.0 111.521 -179.177 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 4.8 tm0? -64.59 -52.93 55.0 Favored 'General case' 0 N--CA 1.494 1.772 0 O-C-N 120.883 -1.136 . . . . 0.0 111.006 -178.184 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 56.0 m-85 -69.92 -40.14 75.74 Favored 'General case' 0 N--CA 1.496 1.841 0 O-C-N 120.81 -1.181 . . . . 0.0 110.337 -179.857 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 18' ' ' SER . . . . . 0.501 ' C ' ' H ' ' B' ' 20' ' ' ARG . 80.4 p -67.93 -34.56 76.84 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.192 -0.943 . . . . 0.0 110.366 -179.249 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -69.48 17.91 0.6 Allowed Glycine 0 N--CA 1.494 2.52 0 N-CA-C 110.217 -1.153 . . . . 0.0 110.217 -179.486 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 20' ' ' ARG . . . . . 0.501 ' H ' ' C ' ' B' ' 18' ' ' SER . 11.7 tpp180 -60.17 -39.78 87.65 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 120.972 -1.311 . . . . 0.0 109.797 -179.584 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 21' ' ' GLU . . . . . 0.502 ' C ' ' H ' ' B' ' 23' ' ' ASP . 66.7 tt0 -146.22 57.0 1.19 Allowed 'General case' 0 N--CA 1.498 1.952 0 O-C-N 120.946 -1.096 . . . . 0.0 110.178 -179.531 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . 61.6 -4.08 0.5 Allowed Glycine 0 N--CA 1.493 2.499 0 C-N-CA 119.765 -1.207 . . . . 0.0 110.142 179.491 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 23' ' ' ASP . . . . . 0.502 ' H ' ' C ' ' B' ' 21' ' ' GLU . 96.4 m-20 -84.05 63.37 7.58 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.051 -1.264 . . . . 0.0 109.269 -179.869 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 47.8 mtmt -69.95 -38.45 76.15 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.462 -0.774 . . . . 0.0 110.364 -179.744 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 25' ' ' HIS . . . . . . . . . . . . . 39.5 t-80 -90.07 1.61 56.16 Favored 'General case' 0 N--CA 1.497 1.904 0 O-C-N 121.025 -1.047 . . . . 0.0 111.71 -178.0 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 85.6 mttt -136.92 144.96 43.74 Favored 'General case' 0 N--CA 1.503 2.212 0 O-C-N 120.835 -1.166 . . . . 0.0 111.193 -178.865 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 27' ' ' LEU . . . . . 0.444 HD11 ' CE2' ' B' ' 14' ' ' PHE . 19.8 mt -120.14 141.47 49.82 Favored 'General case' 0 N--CA 1.498 1.953 0 N-CA-C 108.635 -0.876 . . . . 0.0 108.635 179.348 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 37.3 mttp -98.55 165.95 11.58 Favored 'General case' 0 N--CA 1.498 1.961 0 O-C-N 121.149 -0.97 . . . . 0.0 109.862 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 13.0 pttm -60.01 -39.98 87.67 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.399 -0.813 . . . . 0.0 109.485 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 22.7 t -61.49 -40.06 93.22 Favored 'General case' 0 C--N 1.302 -1.461 0 O-C-N 121.291 -0.881 . . . . 0.0 109.563 -179.943 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 40.0 mt-10 -60.51 -40.0 89.81 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 121.248 -0.908 . . . . 0.0 109.914 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 92.7 mt -64.76 -40.16 94.82 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.137 -0.977 . . . . 0.0 109.82 -179.558 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 2.4 tmmt? -60.06 -49.7 76.62 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 120.657 -1.277 . . . . 0.0 110.34 -179.131 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 99.7 mt-10 -69.76 -38.77 76.89 Favored 'General case' 0 C--N 1.299 -1.601 0 O-C-N 121.153 -0.967 . . . . 0.0 109.581 -179.877 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 62.3 tp -60.08 -49.41 77.78 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.486 -0.759 . . . . 0.0 111.436 -178.23 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 36' ' ' ILE . . . . . 0.458 ' O ' ' OE1' ' B' ' 39' ' ' GLU . 1.5 mp -60.11 -40.48 83.5 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.099 0 O-C-N 120.669 -1.269 . . . . 0.0 110.12 -178.239 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 67.2 m-80 -60.61 -38.33 84.35 Favored 'General case' 0 C--N 1.296 -1.74 0 O-C-N 120.505 -1.372 . . . . 0.0 109.918 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 20.7 m120 -60.29 -41.42 93.34 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.328 -0.857 . . . . 0.0 112.618 -177.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 39' ' ' GLU . . . . . 0.514 ' OE1' ' N ' ' B' ' 39' ' ' GLU . 0.0 OUTLIER -107.59 -73.4 0.69 Allowed 'General case' 0 N--CA 1.514 2.746 0 O-C-N 120.806 -1.184 . . . . 0.0 110.524 -178.546 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' B' B ' 40' ' ' LEU . . . . . 0.497 ' N ' ' OE1' ' B' ' 39' ' ' GLU . 3.0 mp -85.01 81.72 8.77 Favored 'General case' 0 N--CA 1.494 1.751 0 O-C-N 121.161 -0.962 . . . . 0.0 110.186 -178.464 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 41' ' ' SER . . . . . 0.44 ' OG ' ' N ' ' B' ' 42' ' ' HIS . 1.7 p -102.07 -52.48 3.15 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.276 -0.89 . . . . 0.0 108.695 178.881 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 42' ' ' HIS . . . . . 0.44 ' N ' ' OG ' ' B' ' 41' ' ' SER . 94.3 m-70 -70.04 -36.35 74.97 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.693 -0.63 . . . . 0.0 110.319 -179.737 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 43' ' ' PHE . . . . . 0.459 ' C ' HD12 ' B' ' 44' ' ' LEU . 64.2 m-85 -59.79 -40.25 87.66 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.059 -1.026 . . . . 0.0 109.972 -179.202 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 44' ' ' LEU . . . . . 0.511 HD12 ' N ' ' B' ' 44' ' ' LEU . 7.8 mp -99.98 14.2 31.37 Favored 'General case' 0 N--CA 1.499 2.01 0 O-C-N 121.279 -0.888 . . . . 0.0 109.318 -179.431 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 45' ' ' GLU . . . . . 0.434 ' O ' ' O ' ' B' ' 46' ' ' GLU . 64.6 mm-40 57.09 39.75 28.9 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.707 -0.62 . . . . 0.0 110.346 -179.786 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 46' ' ' GLU . . . . . 0.434 ' O ' ' O ' ' B' ' 45' ' ' GLU . 95.9 mt-10 46.75 95.83 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.129 -0.982 . . . . 0.0 110.396 178.862 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 84.3 mt -60.09 120.0 5.19 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.562 0 O-C-N 120.893 -1.129 . . . . 0.0 108.822 179.28 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -101.46 -4.35 26.99 Favored 'General case' 0 N--CA 1.499 1.997 0 O-C-N 121.356 -0.84 . . . . 0.0 110.617 -179.444 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 13.9 mm-40 -111.77 131.62 55.2 Favored 'General case' 0 N--CA 1.509 2.487 0 O-C-N 121.05 -1.032 . . . . 0.0 109.308 179.492 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 4.3 mp0 -70.13 -36.75 75.01 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 121.367 -0.833 . . . . 0.0 109.911 179.691 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 13.3 pt-20 -59.98 -33.49 72.03 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.181 -0.95 . . . . 0.0 110.269 -179.183 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 54.7 t -60.07 -40.8 84.33 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.551 0 O-C-N 120.859 -1.151 . . . . 0.0 108.77 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 54.1 t -61.75 -41.7 91.57 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.468 0 O-C-N 121.292 -0.88 . . . . 0.0 109.194 179.112 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 7.0 t0 -63.19 -41.93 99.27 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.19 -0.944 . . . . 0.0 110.129 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -60.04 -48.77 80.33 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.107 -0.995 . . . . 0.0 108.937 -179.674 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 54.7 t -65.5 -41.57 91.24 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.559 0 O-C-N 121.219 -0.926 . . . . 0.0 109.287 179.41 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 57' ' ' MET . . . . . . . . . . . . . 28.2 ttt -61.27 -40.24 93.36 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.292 -0.88 . . . . 0.0 109.549 179.83 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 14.0 tm-20 -59.94 -39.97 87.35 Favored 'General case' 0 N--CA 1.488 1.459 0 O-C-N 121.495 -0.753 . . . . 0.0 110.187 -179.735 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 95.3 m -60.23 -45.11 94.36 Favored 'General case' 0 N--CA 1.495 1.815 0 O-C-N 121.135 -0.978 . . . . 0.0 110.73 -179.287 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 60' ' ' LEU . . . . . 0.467 ' CD2' ' N ' ' B' ' 60' ' ' LEU . 3.6 mm? -68.52 -40.01 80.95 Favored 'General case' 0 N--CA 1.496 1.85 0 O-C-N 120.982 -1.074 . . . . 0.0 110.028 -179.279 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 91.0 m-20 -80.98 57.43 3.09 Favored 'General case' 0 N--CA 1.488 1.462 0 O-C-N 121.185 -0.947 . . . . 0.0 109.428 179.899 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 87.4 tt0 -60.18 -31.59 70.27 Favored 'General case' 0 C--N 1.303 -1.418 0 N-CA-C 108.293 -1.003 . . . . 0.0 108.293 179.649 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 63' ' ' ASP . . . . . 0.429 ' OD2' ' OD2' ' B' ' 65' ' ' ASP . 29.4 p30 -77.73 -11.18 59.85 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.348 -0.845 . . . . 0.0 109.29 179.482 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 68.68 29.47 72.77 Favored Glycine 0 N--CA 1.493 2.472 0 N-CA-C 110.505 -1.038 . . . . 0.0 110.505 179.061 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 65' ' ' ASP . . . . . 0.429 ' OD2' ' OD2' ' B' ' 63' ' ' ASP . 98.2 m-20 -63.01 -37.1 85.83 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.047 -1.266 . . . . 0.0 109.204 179.749 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 95.38 -7.9 69.05 Favored Glycine 0 N--CA 1.496 2.678 0 N-CA-C 109.866 -1.294 . . . . 0.0 109.866 179.871 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 64.8 mm-40 -134.9 147.56 49.86 Favored 'General case' 0 N--CA 1.498 1.967 0 O-C-N 121.316 -1.108 . . . . 0.0 109.381 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 68' ' ' CYS . . . . . . . . . . . . . 2.0 m -99.35 118.36 35.83 Favored 'General case' 0 N--CA 1.499 2.002 0 O-C-N 121.367 -0.833 . . . . 0.0 109.942 -179.554 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 2.4 p-10 -90.34 179.53 5.86 Favored 'General case' 0 N--CA 1.494 1.74 0 O-C-N 121.457 -0.777 . . . . 0.0 109.966 179.665 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 70' ' ' PHE . . . . . 0.618 ' CE2' ' CE1' ' B' ' 14' ' ' PHE . 0.2 OUTLIER -60.01 -45.19 93.55 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.425 -0.797 . . . . 0.0 110.077 -179.65 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 70.9 tp60 -60.02 -47.3 86.39 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 120.9 -1.125 . . . . 0.0 109.036 -179.248 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 85.2 mt-10 -61.68 -39.93 93.18 Favored 'General case' 0 N--CA 1.488 1.437 0 O-C-N 121.018 -1.051 . . . . 0.0 109.378 179.294 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 73' ' ' PHE . . . . . . . . . . . . . 53.3 t80 -60.04 -50.03 75.34 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 120.999 -1.063 . . . . 0.0 109.397 179.463 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 74' ' ' MET . . . . . . . . . . . . . 54.8 tpp -60.33 -40.13 89.52 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.32 -0.862 . . . . 0.0 109.462 179.392 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -59.51 -39.29 83.37 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.281 -0.887 . . . . 0.0 109.74 -178.871 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 64.6 t80 -60.0 -46.41 89.56 Favored 'General case' 0 C--N 1.302 -1.486 0 O-C-N 121.112 -0.992 . . . . 0.0 108.826 179.738 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 77' ' ' VAL . . . . . . . . . . . . . 54.2 t -63.9 -40.68 89.93 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.506 0 O-C-N 121.316 -0.865 . . . . 0.0 109.033 179.306 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 78' ' ' SER . . . . . . . . . . . . . 33.7 t -61.64 -44.34 97.16 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.321 -0.862 . . . . 0.0 110.522 -179.686 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 79' ' ' MET . . . . . . . . . . . . . 28.4 ttt -60.09 -41.21 91.99 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.22 -0.925 . . . . 0.0 110.521 -178.922 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 61.6 t -66.08 -39.93 85.8 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.571 0 O-C-N 121.307 -0.871 . . . . 0.0 109.138 -179.893 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 63.3 m -59.84 -46.84 88.02 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.383 -0.823 . . . . 0.0 110.153 -179.508 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 41.0 p -68.04 -39.95 82.97 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 120.88 -1.137 . . . . 0.0 109.672 -179.735 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 83' ' ' ALA . . . . . 0.409 ' O ' ' C ' ' B' ' 84' ' ' CYS . . . -61.66 -40.04 93.52 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.243 -0.911 . . . . 0.0 110.098 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 84' ' ' CYS . . . . . 0.409 ' C ' ' O ' ' B' ' 83' ' ' ALA . 74.7 m -39.99 159.76 0.01 OUTLIER 'General case' 0 N--CA 1.498 1.961 0 O-C-N 121.588 -0.695 . . . . 0.0 110.502 -179.15 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 85' ' ' HIS . . . . . . . . . . . . . 91.8 m-70 -94.28 96.81 9.81 Favored 'General case' 0 N--CA 1.494 1.758 0 O-C-N 121.325 -0.859 . . . . 0.0 109.742 -179.348 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 43.66 -154.77 0.02 OUTLIER 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.516 -0.74 . . . . 0.0 109.843 179.335 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 87' ' ' PHE . . . . . . . . . . . . . 51.4 p90 -87.42 132.36 34.01 Favored 'General case' 0 N--CA 1.494 1.761 0 O-C-N 121.005 -1.059 . . . . 0.0 109.369 179.758 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 5.8 m-85 -52.12 139.97 22.02 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 120.979 -1.075 . . . . 0.0 108.368 179.699 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 46.9 mt-10 -67.73 118.56 11.15 Favored 'General case' 0 C--N 1.302 -1.457 0 O-C-N 121.315 -0.865 . . . . 0.0 109.716 -179.43 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 90' ' ' HIS . . . . . . . . . . . . . 43.7 t60 -168.8 159.94 10.04 Favored 'General case' 0 N--CA 1.488 1.449 0 N-CA-C 108.873 -0.788 . . . . 0.0 108.873 179.877 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 18.3 pt-20 . . . . . 0 N--CA 1.489 1.493 0 CA-C-O 117.901 -1.047 . . . . 0.0 109.269 179.673 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 92' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 93' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' B' B ' 92' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' B' B ' 93' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 63.1 mtm . . . . . 0 N--CA 1.492 1.646 0 N-CA-C 109.143 -0.688 . . . . 0.0 109.143 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 75.6 p -121.21 19.55 11.47 Favored 'General case' 0 N--CA 1.503 2.197 0 O-C-N 121.409 -0.807 . . . . 0.0 110.041 -179.699 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 79.0 mm-40 -61.54 -40.0 93.09 Favored 'General case' 0 C--N 1.299 -1.61 0 O-C-N 121.025 -1.047 . . . . 0.0 110.696 -179.097 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.422 HD13 ' O ' ' A' ' 3' ' ' LEU . 0.3 OUTLIER -54.3 -54.14 44.26 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 120.941 -1.099 . . . . 0.0 109.611 -178.369 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 23.0 pt-20 -64.67 -31.51 72.76 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 120.793 -1.192 . . . . 0.0 110.933 -179.495 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 22.9 tptm -60.6 -40.34 91.43 Favored 'General case' 0 N--CA 1.495 1.793 0 O-C-N 120.525 -1.359 . . . . 0.0 108.986 179.657 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -59.8 -39.88 86.47 Favored 'General case' 0 C--N 1.301 -1.533 0 O-C-N 121.528 -0.733 . . . . 0.0 109.466 -179.683 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 48.3 ttm -60.4 -41.98 94.98 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.107 -0.996 . . . . 0.0 109.46 -179.597 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 53.0 t -67.02 -40.84 86.4 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.659 0 O-C-N 121.261 -0.899 . . . . 0.0 110.15 -179.453 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.38 -45.08 95.86 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 120.992 -1.067 . . . . 0.0 110.545 -178.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 33.9 tp -59.98 -48.74 80.47 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.0 -1.062 . . . . 0.0 108.969 -179.284 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 90.5 mt -68.59 -43.63 83.34 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.528 0 O-C-N 121.299 -0.876 . . . . 0.0 109.835 -179.8 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . 0.522 ' O ' ' NE2' ' A' ' 16' ' ' GLN . 7.5 t70 -60.5 -49.2 78.49 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.403 -0.811 . . . . 0.0 110.95 -179.289 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 55.1 t -68.22 -42.38 84.62 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.549 0 O-C-N 121.222 -0.924 . . . . 0.0 109.812 -179.284 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . 0.446 ' CE1' HD21 ' A' ' 27' ' ' LEU . 16.6 t80 -60.2 -49.76 76.35 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.378 -0.826 . . . . 0.0 111.522 -179.002 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 61.4 m80 -70.61 -41.29 72.46 Favored 'General case' 0 C--N 1.3 -1.568 0 O-C-N 120.972 -1.08 . . . . 0.0 111.298 -178.546 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . 0.524 ' OE1' ' N ' ' A' ' 16' ' ' GLN . 0.8 OUTLIER -64.15 -42.01 96.94 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.004 -1.06 . . . . 0.0 110.304 -179.226 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -73.31 -38.94 65.67 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 121.323 -0.861 . . . . 0.0 109.572 -179.776 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . 0.521 ' C ' ' H ' ' A' ' 20' ' ' ARG . 91.6 p -60.98 -19.99 61.85 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 121.134 -0.979 . . . . 0.0 110.835 -179.056 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -68.44 26.98 0.27 Allowed Glycine 0 N--CA 1.492 2.431 0 N-CA-C 110.353 -1.099 . . . . 0.0 110.353 -179.702 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.521 ' H ' ' C ' ' A' ' 18' ' ' SER . 14.3 mmm180 -60.26 -41.45 93.27 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 120.849 -1.383 . . . . 0.0 110.061 179.901 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.584 ' O ' ' N ' ' A' ' 23' ' ' ASP . 10.6 tp10 -157.85 103.47 1.89 Allowed 'General case' 0 N--CA 1.494 1.743 0 O-C-N 121.142 -0.974 . . . . 0.0 110.678 -179.025 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 57.94 -63.51 0.01 OUTLIER Glycine 0 N--CA 1.5 2.914 0 C-N-CA 120.96 -0.638 . . . . 0.0 111.591 178.455 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . 0.584 ' N ' ' O ' ' A' ' 21' ' ' GLU . 24.4 p-10 -61.84 129.23 39.97 Favored 'General case' 0 C--N 1.302 -1.463 0 O-C-N 120.83 -1.394 . . . . 0.0 109.802 -178.796 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 19.2 pttp -119.09 -7.75 10.29 Favored 'General case' 0 N--CA 1.496 1.851 0 O-C-N 121.719 -0.613 . . . . 0.0 110.059 -179.837 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 41.8 p-80 -136.34 17.39 3.17 Favored 'General case' 0 N--CA 1.502 2.139 0 O-C-N 121.15 -0.969 . . . . 0.0 111.127 -178.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.435 ' C ' HD22 ' A' ' 27' ' ' LEU . 19.3 ttmm -141.01 145.26 35.69 Favored 'General case' 0 N--CA 1.5 2.026 0 O-C-N 120.815 -1.178 . . . . 0.0 109.613 -179.8 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.813 HD22 ' N ' ' A' ' 27' ' ' LEU . 1.2 mm? -108.57 135.88 49.09 Favored 'General case' 0 N--CA 1.498 1.93 0 N-CA-C 108.574 -0.898 . . . . 0.0 108.574 179.277 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.437 ' H ' ' HB3' ' A' ' 31' ' ' GLU . 8.6 mtmp? -98.59 -178.96 4.16 Favored 'General case' 0 N--CA 1.496 1.832 0 O-C-N 121.485 -0.759 . . . . 0.0 109.105 179.144 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 46.9 mttp -61.32 -55.35 32.73 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.199 -0.938 . . . . 0.0 110.485 -178.733 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 58.8 m -66.58 -40.23 88.85 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.4 -0.813 . . . . 0.0 110.579 -179.022 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.437 ' HB3' ' H ' ' A' ' 28' ' ' LYS . 88.6 tt0 -60.92 -40.14 92.08 Favored 'General case' 0 N--CA 1.495 1.803 0 O-C-N 121.31 -0.869 . . . . 0.0 110.989 -178.467 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.567 ' O ' HD23 ' A' ' 32' ' ' LEU . 1.6 tt -60.88 -41.72 96.57 Favored 'General case' 0 C--N 1.302 -1.457 0 O-C-N 120.995 -1.066 . . . . 0.0 109.705 -178.547 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.09 -44.44 94.79 Favored 'General case' 0 N--CA 1.495 1.795 0 O-C-N 120.568 -1.333 . . . . 0.0 110.087 -179.939 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 54.6 tp10 -61.0 -39.76 90.94 Favored 'General case' 0 N--CA 1.494 1.746 0 O-C-N 121.479 -0.763 . . . . 0.0 110.314 -179.258 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.575 ' O ' HD23 ' A' ' 35' ' ' LEU . 3.2 tt -61.23 -48.48 81.29 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.155 -0.965 . . . . 0.0 110.091 -178.728 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.473 ' O ' ' O ' ' A' ' 40' ' ' LEU . 96.8 mt -61.49 -43.13 96.31 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.68 0 O-C-N 121.235 -0.916 . . . . 0.0 111.133 -178.88 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 14.5 t-20 -62.48 -39.54 93.77 Favored 'General case' 0 N--CA 1.495 1.814 0 O-C-N 120.5 -1.375 . . . . 0.0 111.113 -178.825 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 31.9 m120 -72.44 -67.95 0.51 Allowed 'General case' 0 N--CA 1.492 1.673 0 O-C-N 120.671 -1.268 . . . . 0.0 111.886 -177.824 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 41.2 mt-10 -90.1 -79.39 0.34 Allowed 'General case' 0 N--CA 1.502 2.131 0 O-C-N 120.883 -1.136 . . . . 0.0 113.38 -177.06 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.473 ' O ' ' O ' ' A' ' 36' ' ' ILE . 0.4 OUTLIER -64.52 104.17 0.76 Allowed 'General case' 0 N--CA 1.496 1.849 0 O-C-N 120.805 -1.185 . . . . 0.0 110.69 -176.904 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 28.3 t -158.68 -16.56 0.07 Allowed 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.297 -0.877 . . . . 0.0 109.254 179.057 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 10.3 t60 -62.5 -49.69 74.37 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.395 -0.815 . . . . 0.0 110.377 -179.239 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 81.5 m-85 -70.04 -39.44 75.75 Favored 'General case' 0 N--CA 1.496 1.83 0 O-C-N 121.061 -1.024 . . . . 0.0 110.992 -179.294 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 76.2 mt -103.45 120.29 40.53 Favored 'General case' 0 N--CA 1.498 1.962 0 O-C-N 121.214 -0.929 . . . . 0.0 109.851 -178.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -107.68 -0.38 21.88 Favored 'General case' 0 N--CA 1.496 1.858 0 O-C-N 121.522 -0.736 . . . . 0.0 109.68 179.919 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 -81.25 -142.83 0.04 OUTLIER 'General case' 0 N--CA 1.499 2.002 0 O-C-N 120.928 -1.108 . . . . 0.0 110.871 -178.877 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 5.6 mt 63.06 78.76 0.07 OUTLIER 'Isoleucine or valine' 0 N--CA 1.5 2.047 0 O-C-N 121.424 -0.797 . . . . 0.0 109.212 -178.312 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 28.0 tptp -108.11 -24.31 11.61 Favored 'General case' 0 N--CA 1.5 2.046 0 O-C-N 121.439 -0.788 . . . . 0.0 110.299 -179.824 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 79.5 mm-40 -129.99 155.98 45.2 Favored 'General case' 0 N--CA 1.5 2.067 0 O-C-N 121.337 -0.852 . . . . 0.0 109.842 -179.409 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . 0.535 ' CD ' ' H ' ' A' ' 50' ' ' GLN . 8.5 mp0 -63.09 -31.0 72.04 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.549 -0.719 . . . . 0.0 109.194 179.898 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.4 ' CD ' ' H ' ' A' ' 51' ' ' GLU . 13.5 mp0 -59.88 -39.42 85.25 Favored 'General case' 0 N--CA 1.494 1.746 0 O-C-N 121.157 -0.965 . . . . 0.0 109.04 179.895 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 56.0 t -59.72 -41.09 84.23 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.707 0 O-C-N 121.073 -1.017 . . . . 0.0 109.518 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 54.2 t -60.36 -40.22 83.32 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.832 0 O-C-N 121.073 -1.017 . . . . 0.0 109.313 179.633 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 9.5 t70 -59.74 -43.33 94.27 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.417 -0.802 . . . . 0.0 109.356 -178.571 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 25.1 ttpp -61.46 -40.0 92.91 Favored 'General case' 0 C--N 1.3 -1.576 0 O-C-N 121.043 -1.036 . . . . 0.0 108.36 179.258 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 53.0 t -69.88 -40.54 78.96 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.351 0 O-C-N 121.21 -0.931 . . . . 0.0 109.641 -179.918 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 12.6 tpt -60.37 -40.67 91.63 Favored 'General case' 0 N--CA 1.496 1.847 0 O-C-N 121.043 -1.035 . . . . 0.0 110.656 -179.584 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 48.2 mt-10 -61.94 -41.57 98.11 Favored 'General case' 0 N--CA 1.495 1.812 0 O-C-N 120.883 -1.135 . . . . 0.0 109.778 -179.288 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 85.3 m -70.04 -41.77 73.78 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.192 -0.942 . . . . 0.0 109.752 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.404 ' O ' ' N ' ' A' ' 62' ' ' GLU . 55.8 tp -66.87 -41.27 87.58 Favored 'General case' 0 N--CA 1.495 1.819 0 O-C-N 121.069 -1.019 . . . . 0.0 110.036 -179.354 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 37.7 t70 -71.13 62.44 0.31 Allowed 'General case' 0 N--CA 1.49 1.551 0 O-C-N 120.914 -1.116 . . . . 0.0 109.975 -179.246 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . 0.404 ' N ' ' O ' ' A' ' 60' ' ' LEU . 78.9 tt0 -69.78 -35.72 75.12 Favored 'General case' 0 N--CA 1.489 1.487 0 N-CA-C 108.864 -0.791 . . . . 0.0 108.864 178.556 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 74.9 m-20 -59.55 -26.53 65.44 Favored 'General case' 0 C--N 1.305 -1.341 0 O-C-N 121.485 -0.76 . . . . 0.0 109.591 -179.293 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 80.07 17.9 73.39 Favored Glycine 0 N--CA 1.49 2.266 0 N-CA-C 109.087 -1.605 . . . . 0.0 109.087 -179.752 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 45.2 p-10 -93.43 -12.98 28.55 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.332 -1.099 . . . . 0.0 109.38 -179.86 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 76.34 6.56 83.9 Favored Glycine 0 N--CA 1.49 2.247 0 C-N-CA 120.047 -1.073 . . . . 0.0 110.577 178.758 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 74.3 mm-40 -139.01 149.84 45.14 Favored 'General case' 0 N--CA 1.496 1.851 0 O-C-N 121.223 -1.163 . . . . 0.0 109.051 -179.86 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 43.3 t -95.64 117.79 31.12 Favored 'General case' 0 N--CA 1.5 2.053 0 O-C-N 121.052 -1.03 . . . . 0.0 109.01 179.205 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 98.1 m-20 -89.95 170.66 10.18 Favored 'General case' 0 N--CA 1.498 1.946 0 O-C-N 121.512 -0.743 . . . . 0.0 109.627 -179.437 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 70.1 t80 -59.68 -49.05 79.26 Favored 'General case' 0 N--CA 1.494 1.745 0 O-C-N 120.961 -1.087 . . . . 0.0 109.561 -179.824 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 14.8 pt20 -60.2 -40.01 88.57 Favored 'General case' 0 C--N 1.304 -1.38 0 O-C-N 121.087 -1.008 . . . . 0.0 109.124 179.636 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -66.4 -39.51 89.07 Favored 'General case' 0 N--CA 1.489 1.522 0 N-CA-C 109.223 -0.658 . . . . 0.0 109.223 179.055 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 68.7 t80 -60.45 -39.63 88.24 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.179 -0.951 . . . . 0.0 109.505 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 25.0 tpp -59.92 -40.13 87.83 Favored 'General case' 0 N--CA 1.493 1.723 0 N-CA-C 108.007 -1.109 . . . . 0.0 108.007 179.559 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -60.0 -38.29 82.18 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.448 -0.783 . . . . 0.0 110.009 179.826 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 72.8 t80 -59.6 -45.49 91.77 Favored 'General case' 0 N--CA 1.494 1.746 0 O-C-N 121.051 -1.031 . . . . 0.0 109.548 -179.48 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 55.9 t -60.1 -42.13 88.89 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.551 0 O-C-N 121.16 -0.963 . . . . 0.0 108.767 179.469 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 85.5 p -69.05 -36.7 77.98 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.317 -0.864 . . . . 0.0 109.688 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 51.8 ttm -59.73 -40.64 88.71 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 120.971 -1.081 . . . . 0.0 110.15 -179.232 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 57.0 t -66.79 -39.94 84.78 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.476 0 C-N-CA 119.044 -1.062 . . . . 0.0 109.289 -179.697 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 92.4 m -69.64 -41.89 74.99 Favored 'General case' 0 C--N 1.301 -1.519 0 O-C-N 121.285 -0.884 . . . . 0.0 110.153 -179.257 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 27.4 p -62.27 -39.48 93.08 Favored 'General case' 0 N--CA 1.495 1.798 0 O-C-N 121.192 -0.943 . . . . 0.0 110.384 -179.672 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -59.92 -42.46 93.98 Favored 'General case' 0 C--N 1.299 -1.604 0 O-C-N 121.075 -1.015 . . . . 0.0 108.637 -179.406 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 71.2 m -80.99 137.23 36.08 Favored 'General case' 0 N--CA 1.494 1.748 0 O-C-N 121.136 -0.978 . . . . 0.0 109.183 178.391 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 23.0 p-80 -71.06 168.89 16.14 Favored 'General case' 0 N--CA 1.493 1.68 0 N-CA-C 108.041 -1.096 . . . . 0.0 108.041 179.34 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 81.8 tt0 -52.27 122.08 8.05 Favored 'General case' 0 N--CA 1.488 1.429 0 O-C-N 120.767 -1.208 . . . . 0.0 108.603 -179.616 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 67.2 t80 -152.76 106.95 3.12 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.197 -0.939 . . . . 0.0 110.16 -178.872 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . 0.588 ' CG ' ' O ' ' A' ' 88' ' ' PHE . 8.3 p90 -153.02 88.49 1.32 Allowed 'General case' 0 N--CA 1.491 1.578 0 CA-C-O 121.76 0.791 . . . . 0.0 109.247 179.85 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 50.7 mt-10 -93.2 117.78 30.47 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 120.895 -1.128 . . . . 0.0 109.55 -179.579 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' HIS . . . . . 0.432 ' ND1' ' O ' ' A' ' 91' ' ' GLU . 58.9 t-80 -144.17 131.36 20.67 Favored 'General case' 0 N--CA 1.493 1.702 0 N-CA-C 108.864 -0.791 . . . . 0.0 108.864 179.559 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . 0.432 ' O ' ' ND1' ' A' ' 90' ' ' HIS . 99.6 mt-10 . . . . . 0 N--CA 1.493 1.678 0 CA-C-O 118.107 -0.949 . . . . 0.0 109.773 -179.611 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 0' ' ' MET . . . . . . . . . . . . . 62.6 mtm . . . . . 0 N--CA 1.489 1.48 0 N-CA-C 109.078 -0.712 . . . . 0.0 109.078 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 68.2 p -122.38 19.82 10.51 Favored 'General case' 0 N--CA 1.498 1.968 0 O-C-N 121.498 -0.751 . . . . 0.0 109.956 -179.539 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 77.3 mm-40 -61.11 -39.98 92.03 Favored 'General case' 0 C--N 1.3 -1.573 0 O-C-N 121.301 -0.874 . . . . 0.0 110.685 -179.487 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 3' ' ' LEU . . . . . 0.437 HD13 ' O ' ' B' ' 3' ' ' LEU . 0.2 OUTLIER -54.62 -55.04 33.66 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.02 -1.05 . . . . 0.0 109.677 -178.463 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 23.4 pt-20 -63.8 -32.17 73.59 Favored 'General case' 0 C--N 1.299 -1.596 0 O-C-N 120.686 -1.259 . . . . 0.0 110.716 -179.543 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 23.2 tptm -60.46 -40.17 90.23 Favored 'General case' 0 N--CA 1.498 1.947 0 O-C-N 120.627 -1.296 . . . . 0.0 109.052 -179.884 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -59.83 -40.04 87.13 Favored 'General case' 0 C--N 1.301 -1.537 0 O-C-N 121.277 -0.889 . . . . 0.0 109.496 -179.837 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 7' ' ' MET . . . . . . . . . . . . . 49.4 ttm -60.02 -41.04 91.32 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.11 -0.993 . . . . 0.0 109.463 -179.894 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 55.1 t -68.08 -40.15 82.59 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.618 0 O-C-N 121.158 -0.964 . . . . 0.0 110.221 -179.497 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -62.36 -44.58 96.14 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.041 -1.037 . . . . 0.0 110.433 -179.298 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 28.2 tp -59.86 -48.55 81.26 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 120.904 -1.123 . . . . 0.0 109.126 -179.368 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 96.3 mt -69.09 -42.75 81.99 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.646 0 O-C-N 121.046 -1.034 . . . . 0.0 110.063 -179.653 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 12' ' ' ASP . . . . . 0.511 ' O ' ' NE2' ' B' ' 16' ' ' GLN . 7.4 t70 -60.99 -49.82 75.88 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.483 -0.761 . . . . 0.0 111.089 -179.229 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 55.8 t -67.82 -42.11 85.66 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.511 0 O-C-N 121.359 -0.838 . . . . 0.0 109.738 -179.561 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 14' ' ' PHE . . . . . 0.451 ' CE1' HD21 ' B' ' 27' ' ' LEU . 14.6 t80 -60.39 -49.68 76.62 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.496 -0.753 . . . . 0.0 111.151 -178.828 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 57.1 m80 -70.78 -41.37 71.76 Favored 'General case' 0 C--N 1.297 -1.677 0 O-C-N 120.991 -1.068 . . . . 0.0 111.165 -178.524 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 16' ' ' GLN . . . . . 0.521 ' N ' ' OE1' ' B' ' 16' ' ' GLN . 0.9 OUTLIER -63.97 -43.0 97.08 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.087 -1.008 . . . . 0.0 110.131 -179.257 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -72.48 -38.29 68.23 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.032 -1.042 . . . . 0.0 109.781 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 18' ' ' SER . . . . . 0.53 ' C ' ' H ' ' B' ' 20' ' ' ARG . 86.8 p -61.29 -20.13 62.54 Favored 'General case' 0 N--CA 1.496 1.866 0 O-C-N 121.156 -0.965 . . . . 0.0 110.834 -178.827 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -68.58 27.53 0.28 Allowed Glycine 0 N--CA 1.493 2.48 0 O-C-N 120.868 -1.145 . . . . 0.0 110.336 -179.699 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 20' ' ' ARG . . . . . 0.53 ' H ' ' C ' ' B' ' 18' ' ' SER . 14.8 mmm180 -60.08 -41.1 91.73 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 120.984 -1.303 . . . . 0.0 109.831 179.8 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 21' ' ' GLU . . . . . 0.57 ' O ' ' N ' ' B' ' 23' ' ' ASP . 12.3 tp10 -158.71 103.6 1.73 Allowed 'General case' 0 N--CA 1.493 1.683 0 O-C-N 120.921 -1.112 . . . . 0.0 110.531 -178.912 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . 59.32 -66.78 0.01 OUTLIER Glycine 0 N--CA 1.497 2.712 0 O-C-N 121.346 -0.846 . . . . 0.0 111.457 178.438 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 23' ' ' ASP . . . . . 0.57 ' N ' ' O ' ' B' ' 21' ' ' GLU . 26.1 p-10 -59.65 129.76 43.48 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 120.919 -1.342 . . . . 0.0 109.914 -178.67 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 24' ' ' LYS . . . . . 0.445 ' O ' ' OG ' ' B' ' 18' ' ' SER . 19.3 pttp -119.17 -7.83 10.24 Favored 'General case' 0 N--CA 1.496 1.826 0 O-C-N 121.773 -0.579 . . . . 0.0 109.985 179.703 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 25' ' ' HIS . . . . . . . . . . . . . 41.4 p-80 -136.09 17.77 3.22 Favored 'General case' 0 N--CA 1.499 2.017 0 O-C-N 121.016 -1.053 . . . . 0.0 111.138 -178.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 26' ' ' LYS . . . . . 0.453 ' C ' HD22 ' B' ' 27' ' ' LEU . 18.4 ttmm -141.66 144.59 34.21 Favored 'General case' 0 N--CA 1.498 1.95 0 O-C-N 120.931 -1.106 . . . . 0.0 110.107 -179.633 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 27' ' ' LEU . . . . . 0.837 ' N ' HD22 ' B' ' 27' ' ' LEU . 1.4 mm? -107.57 135.46 48.99 Favored 'General case' 0 N--CA 1.498 1.971 0 O-C-N 121.411 -0.805 . . . . 0.0 109.068 179.249 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 28' ' ' LYS . . . . . 0.457 ' H ' ' HB3' ' B' ' 31' ' ' GLU . 8.8 mtmp? -98.82 -179.33 4.25 Favored 'General case' 0 N--CA 1.497 1.878 0 N-CA-C 108.943 -0.762 . . . . 0.0 108.943 178.849 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 48.2 mttp -60.88 -54.76 41.1 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.074 -1.017 . . . . 0.0 110.542 -178.865 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 69.7 m -67.06 -40.19 87.04 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 121.344 -0.848 . . . . 0.0 110.515 -179.024 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 31' ' ' GLU . . . . . 0.457 ' HB3' ' H ' ' B' ' 28' ' ' LYS . 88.6 tt0 -60.96 -40.49 93.55 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.343 -0.848 . . . . 0.0 110.788 -178.393 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 32' ' ' LEU . . . . . 0.541 ' O ' HD23 ' B' ' 32' ' ' LEU . 1.5 tt -60.55 -41.81 95.3 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 120.866 -1.146 . . . . 0.0 110.002 -178.412 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.4 -43.89 96.24 Favored 'General case' 0 N--CA 1.497 1.897 0 O-C-N 120.688 -1.257 . . . . 0.0 110.094 -179.872 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 54.6 tp10 -61.21 -40.26 93.31 Favored 'General case' 0 N--CA 1.494 1.761 0 O-C-N 121.355 -0.841 . . . . 0.0 109.923 -179.384 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 35' ' ' LEU . . . . . 0.58 ' O ' HD23 ' B' ' 35' ' ' LEU . 2.8 tt -60.44 -48.48 81.56 Favored 'General case' 0 N--CA 1.495 1.782 0 O-C-N 121.238 -0.913 . . . . 0.0 110.354 -179.099 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 36' ' ' ILE . . . . . 0.446 ' O ' ' O ' ' B' ' 40' ' ' LEU . 97.6 mt -62.08 -42.08 93.62 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.576 0 O-C-N 121.148 -0.97 . . . . 0.0 111.108 -178.681 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 13.5 t-20 -63.51 -39.71 95.15 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 120.781 -1.199 . . . . 0.0 110.778 -178.469 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 32.8 m120 -71.51 -67.69 0.5 Allowed 'General case' 0 N--CA 1.492 1.636 0 O-C-N 120.95 -1.094 . . . . 0.0 112.194 -177.95 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -91.26 -79.82 0.36 Allowed 'General case' 0 N--CA 1.502 2.138 0 O-C-N 120.699 -1.251 . . . . 0.0 113.388 -176.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 40' ' ' LEU . . . . . 0.446 ' O ' ' O ' ' B' ' 36' ' ' ILE . 0.4 OUTLIER -62.84 103.23 0.42 Allowed 'General case' 0 N--CA 1.496 1.84 0 O-C-N 120.986 -1.072 . . . . 0.0 110.755 -177.193 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 24.6 t -158.69 -15.61 0.07 Allowed 'General case' 0 C--N 1.299 -1.591 0 C-N-CA 119.935 -0.706 . . . . 0.0 109.343 178.836 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 42' ' ' HIS . . . . . . . . . . . . . 10.8 t60 -62.59 -49.94 73.23 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.178 -0.951 . . . . 0.0 110.264 -179.32 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 82.2 m-85 -70.29 -39.19 75.02 Favored 'General case' 0 N--CA 1.495 1.795 0 O-C-N 121.369 -0.832 . . . . 0.0 111.047 -178.899 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 85.1 mt -103.11 120.62 41.02 Favored 'General case' 0 N--CA 1.496 1.873 0 O-C-N 121.074 -1.016 . . . . 0.0 109.593 -178.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -109.11 2.93 21.44 Favored 'General case' 0 N--CA 1.497 1.895 0 O-C-N 121.423 -0.798 . . . . 0.0 109.673 179.74 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 -84.45 -142.63 0.08 Allowed 'General case' 0 N--CA 1.496 1.843 0 O-C-N 120.891 -1.131 . . . . 0.0 110.498 -178.825 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 5.1 mt 63.39 79.83 0.07 OUTLIER 'Isoleucine or valine' 0 N--CA 1.497 1.892 0 O-C-N 121.395 -0.816 . . . . 0.0 109.039 -178.351 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 27.4 tptp -109.12 -24.07 11.34 Favored 'General case' 0 N--CA 1.501 2.119 0 O-C-N 121.557 -0.714 . . . . 0.0 110.145 -179.468 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 79.3 mm-40 -130.15 156.02 45.26 Favored 'General case' 0 N--CA 1.498 1.947 0 O-C-N 121.473 -0.767 . . . . 0.0 109.703 -179.305 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 50' ' ' GLN . . . . . 0.557 ' CD ' ' H ' ' B' ' 50' ' ' GLN . 8.1 mp0 -63.35 -30.33 71.48 Favored 'General case' 0 C--N 1.302 -1.465 0 O-C-N 121.443 -0.785 . . . . 0.0 108.883 179.699 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 14.3 mp0 -60.2 -39.07 85.25 Favored 'General case' 0 N--CA 1.495 1.81 0 O-C-N 121.104 -0.997 . . . . 0.0 109.251 179.714 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 54.5 t -60.29 -40.89 85.14 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.581 0 O-C-N 121.217 -0.927 . . . . 0.0 109.35 -179.835 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 53.0 t -61.0 -39.95 83.94 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.766 0 O-C-N 121.165 -0.959 . . . . 0.0 109.385 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 8.7 t70 -59.57 -41.75 90.93 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.287 -0.883 . . . . 0.0 109.356 -178.525 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 24.2 ttpp -62.73 -39.9 95.54 Favored 'General case' 0 N--CA 1.488 1.464 0 O-C-N 121.083 -1.011 . . . . 0.0 108.364 179.066 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 79.2 t -69.98 -40.83 79.09 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.41 0 O-C-N 121.232 -0.917 . . . . 0.0 109.681 179.854 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 57' ' ' MET . . . . . . . . . . . . . 13.1 tpt -60.46 -40.13 90.1 Favored 'General case' 0 N--CA 1.496 1.83 0 O-C-N 121.131 -0.98 . . . . 0.0 110.654 -179.279 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 48.0 mt-10 -62.33 -40.72 97.29 Favored 'General case' 0 N--CA 1.495 1.816 0 O-C-N 120.795 -1.191 . . . . 0.0 110.205 -179.427 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 89.6 m -71.09 -40.31 71.62 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.529 -0.732 . . . . 0.0 110.017 -179.816 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 58.8 tp -68.69 -39.83 80.33 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.226 -0.921 . . . . 0.0 109.986 -179.706 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 37.4 t70 -72.24 62.64 0.5 Allowed 'General case' 0 N--CA 1.488 1.461 0 O-C-N 121.119 -0.988 . . . . 0.0 109.747 -179.209 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 77.4 tt0 -70.2 -34.99 73.61 Favored 'General case' 0 N--CA 1.49 1.529 0 N-CA-C 108.845 -0.798 . . . . 0.0 108.845 178.809 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 74.7 m-20 -60.14 -27.65 67.25 Favored 'General case' 0 N--CA 1.488 1.449 0 O-C-N 121.301 -0.874 . . . . 0.0 109.505 -179.522 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 81.2 17.22 72.33 Favored Glycine 0 N--CA 1.487 2.1 0 N-CA-C 108.91 -1.676 . . . . 0.0 108.91 -179.603 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 47.0 p-10 -92.3 -12.87 31.32 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.294 -1.121 . . . . 0.0 109.653 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 76.48 7.11 85.18 Favored Glycine 0 N--CA 1.491 2.309 0 C-N-CA 119.844 -1.17 . . . . 0.0 110.488 178.622 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 74.2 mm-40 -139.94 149.46 43.33 Favored 'General case' 0 N--CA 1.498 1.929 0 O-C-N 121.339 -1.095 . . . . 0.0 108.865 -179.886 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 68' ' ' CYS . . . . . . . . . . . . . 48.1 t -95.82 118.23 32.07 Favored 'General case' 0 N--CA 1.499 1.993 0 O-C-N 121.062 -1.023 . . . . 0.0 109.013 179.174 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 98.0 m-20 -89.67 170.79 10.16 Favored 'General case' 0 N--CA 1.496 1.852 0 O-C-N 121.647 -0.658 . . . . 0.0 109.714 -179.431 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 71.3 t80 -59.84 -49.17 78.76 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.104 -0.998 . . . . 0.0 109.515 -179.894 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 14.2 pt20 -60.26 -40.13 89.25 Favored 'General case' 0 C--N 1.302 -1.496 0 O-C-N 121.046 -1.034 . . . . 0.0 108.984 179.665 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 83.4 tt0 -66.13 -40.04 90.33 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.499 -0.751 . . . . 0.0 109.364 179.08 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 73' ' ' PHE . . . . . . . . . . . . . 70.9 t80 -60.06 -39.72 86.98 Favored 'General case' 0 N--CA 1.495 1.806 0 O-C-N 121.312 -0.867 . . . . 0.0 109.482 179.723 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 74' ' ' MET . . . . . . . . . . . . . 29.0 tpp -59.95 -39.71 86.49 Favored 'General case' 0 N--CA 1.495 1.808 0 N-CA-C 107.942 -1.133 . . . . 0.0 107.942 179.508 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -60.66 -37.88 83.02 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.437 -0.789 . . . . 0.0 110.023 179.653 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 73.4 t80 -59.95 -45.02 93.99 Favored 'General case' 0 N--CA 1.495 1.803 0 O-C-N 121.018 -1.051 . . . . 0.0 109.476 -179.476 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 77' ' ' VAL . . . . . . . . . . . . . 55.6 t -60.38 -41.89 88.92 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.537 0 O-C-N 121.153 -0.967 . . . . 0.0 109.022 179.384 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 78' ' ' SER . . . . . . . . . . . . . 83.9 p -69.32 -36.34 76.85 Favored 'General case' 0 C--N 1.303 -1.456 0 O-C-N 121.375 -0.828 . . . . 0.0 109.857 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 79' ' ' MET . . . . . . . . . . . . . 51.4 ttm -59.73 -41.18 90.33 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 120.986 -1.071 . . . . 0.0 110.287 -179.441 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 57.5 t -66.42 -40.31 86.26 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.406 0 O-C-N 121.055 -1.028 . . . . 0.0 109.168 -179.339 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 92.6 m -69.43 -41.4 76.37 Favored 'General case' 0 C--N 1.3 -1.545 0 O-C-N 121.226 -0.921 . . . . 0.0 110.084 -179.494 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 22.8 p -62.86 -38.97 92.96 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.222 -0.924 . . . . 0.0 110.077 -179.428 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -60.06 -42.74 95.17 Favored 'General case' 0 C--N 1.301 -1.542 0 O-C-N 121.04 -1.038 . . . . 0.0 108.483 -179.438 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 84' ' ' CYS . . . . . . . . . . . . . 73.7 m -80.67 137.48 36.32 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.368 -0.832 . . . . 0.0 108.968 178.718 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 85' ' ' HIS . . . . . . . . . . . . . 19.7 p-80 -71.65 168.9 16.71 Favored 'General case' 0 N--CA 1.494 1.752 0 O-C-N 120.885 -1.134 . . . . 0.0 108.219 179.15 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 79.7 tt0 -52.44 121.82 7.71 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 120.862 -1.149 . . . . 0.0 108.411 -179.681 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 87' ' ' PHE . . . . . . . . . . . . . 68.6 t80 -153.08 106.68 3.04 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.32 -0.863 . . . . 0.0 109.888 -178.836 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 88' ' ' PHE . . . . . 0.581 ' CG ' ' O ' ' B' ' 88' ' ' PHE . 8.1 p90 -152.32 86.09 1.28 Allowed 'General case' 0 N--CA 1.494 1.737 0 O-C-N 121.313 -0.867 . . . . 0.0 109.236 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 49.0 mt-10 -91.16 116.86 29.15 Favored 'General case' 0 N--CA 1.494 1.739 0 O-C-N 120.683 -1.26 . . . . 0.0 109.926 -179.504 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 90' ' ' HIS . . . . . 0.419 ' ND1' ' O ' ' B' ' 91' ' ' GLU . 59.5 t-80 -142.77 130.59 21.59 Favored 'General case' 0 N--CA 1.498 1.927 0 O-C-N 121.454 -0.779 . . . . 0.0 109.138 179.459 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 91' ' ' GLU . . . . . 0.419 ' O ' ' ND1' ' B' ' 90' ' ' HIS . 99.2 mt-10 . . . . . 0 N--CA 1.496 1.851 0 CA-C-O 117.882 -1.056 . . . . 0.0 109.886 -179.474 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 92' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 93' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' B' B ' 92' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' B' B ' 93' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 12.1 ptp . . . . . 0 N--CA 1.491 1.59 0 N-CA-C 109.322 -0.622 . . . . 0.0 109.322 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 20.9 t -163.27 -162.79 0.77 Allowed 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.208 -0.933 . . . . 0.0 109.93 -179.691 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 39.7 tt0 -60.1 -39.93 87.89 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.444 -0.785 . . . . 0.0 109.799 -179.736 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 57.1 mt -59.95 -37.06 78.46 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.168 -0.957 . . . . 0.0 109.618 -179.453 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 83.6 tt0 -59.98 -43.79 94.89 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 120.998 -1.064 . . . . 0.0 109.157 -179.586 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 61.0 mttp -68.43 -39.98 81.34 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 120.946 -1.096 . . . . 0.0 109.108 179.713 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -61.91 -47.42 85.01 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.313 -0.867 . . . . 0.0 109.263 179.821 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 43.9 tpp -60.01 -45.7 91.91 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.292 -0.88 . . . . 0.0 108.939 179.641 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 58.9 t -69.16 -40.9 81.09 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.5 0 O-C-N 121.567 -0.708 . . . . 0.0 109.574 -179.589 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -63.32 -44.47 94.87 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.269 -0.895 . . . . 0.0 110.131 -179.591 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 56.8 tp -60.07 -49.31 78.16 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.232 -0.918 . . . . 0.0 110.161 -179.483 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 96.9 mt -66.22 -40.0 85.77 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.486 0 O-C-N 121.105 -0.997 . . . . 0.0 110.074 -179.516 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 97.5 m-20 -60.27 -40.03 88.92 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.192 -0.943 . . . . 0.0 110.742 -179.268 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 54.5 t -68.75 -41.87 82.67 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.624 0 O-C-N 120.755 -1.215 . . . . 0.0 109.394 -179.414 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 80.7 t80 -60.04 -49.99 75.48 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.179 -0.95 . . . . 0.0 110.71 -179.774 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 20.4 t60 -65.02 -45.98 83.25 Favored 'General case' 0 N--CA 1.494 1.77 0 O-C-N 121.151 -0.968 . . . . 0.0 110.532 -179.049 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 11.4 tm0? -60.0 -41.38 91.96 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.165 -0.96 . . . . 0.0 110.161 -179.16 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 1.1 t80 -69.89 -40.08 75.87 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.1 -1.0 . . . . 0.0 109.423 -179.703 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 40.6 t -60.35 -39.93 88.92 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 121.309 -0.869 . . . . 0.0 109.584 -179.909 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -76.88 -9.43 86.59 Favored Glycine 0 N--CA 1.489 2.194 0 N-CA-C 110.233 -1.147 . . . . 0.0 110.233 -179.224 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -60.71 -42.64 97.63 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 120.994 -1.298 . . . . 0.0 108.553 179.919 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.468 ' OE1' ' N ' ' A' ' 22' ' ' GLY . 1.6 tm-20 -97.75 164.61 12.32 Favored 'General case' 0 N--CA 1.5 2.054 0 O-C-N 121.135 -0.978 . . . . 0.0 108.789 179.122 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . 0.468 ' N ' ' OE1' ' A' ' 21' ' ' GLU . . . -57.07 -23.89 48.54 Favored Glycine 0 N--CA 1.491 2.312 0 N-CA-C 110.459 -1.056 . . . . 0.0 110.459 -179.662 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 96.3 m-20 -79.98 86.08 5.51 Favored 'General case' 0 N--CA 1.497 1.898 0 O-C-N 120.884 -1.362 . . . . 0.0 110.217 -179.289 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 31.2 mtmm -70.69 -39.97 73.19 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.474 -0.766 . . . . 0.0 111.089 -179.929 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -68.6 -34.29 75.53 Favored 'General case' 0 N--CA 1.498 1.955 0 O-C-N 121.268 -0.895 . . . . 0.0 112.237 -177.193 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 15.9 ptpt -149.34 170.03 19.46 Favored 'General case' 0 N--CA 1.5 2.054 0 O-C-N 120.476 -1.39 . . . . 0.0 111.567 -177.636 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 4.7 mp -110.89 139.98 45.76 Favored 'General case' 0 N--CA 1.496 1.869 0 N-CA-C 109.069 -0.715 . . . . 0.0 109.069 179.805 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 11.5 pttp -101.5 -177.86 3.56 Favored 'General case' 0 N--CA 1.502 2.16 0 O-C-N 121.343 -0.848 . . . . 0.0 110.205 -179.761 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 25.3 pttm -60.0 -39.46 85.82 Favored 'General case' 0 N--CA 1.494 1.762 0 O-C-N 121.434 -0.791 . . . . 0.0 110.643 -178.759 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 71.4 p -60.0 -43.75 94.98 Favored 'General case' 0 C--N 1.303 -1.44 0 O-C-N 121.093 -1.004 . . . . 0.0 109.658 -178.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 75.8 mt-10 -66.69 -40.84 88.68 Favored 'General case' 0 N--CA 1.488 1.457 0 O-C-N 121.182 -0.949 . . . . 0.0 109.122 179.864 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 64.9 tp -64.07 -45.19 89.86 Favored 'General case' 0 N--CA 1.488 1.427 0 O-C-N 121.444 -0.785 . . . . 0.0 109.537 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 12.5 ttmm -60.02 -48.49 81.47 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.314 -0.866 . . . . 0.0 109.718 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 81.5 tt0 -62.25 -39.98 94.65 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.462 -0.774 . . . . 0.0 110.24 -179.534 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.468 ' O ' HD23 ' A' ' 35' ' ' LEU . 1.4 tt -54.1 -42.02 68.94 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.181 -0.95 . . . . 0.0 109.123 -178.574 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.476 ' O ' ' O ' ' A' ' 39' ' ' GLU . 44.1 mm -63.52 -40.87 90.66 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.59 0 O-C-N 120.976 -1.078 . . . . 0.0 109.581 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 41.1 t30 -61.0 -41.15 95.96 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 120.791 -1.193 . . . . 0.0 110.735 -179.588 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 33.0 m120 -78.91 -55.14 5.37 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.054 -1.029 . . . . 0.0 110.355 -179.096 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . 0.476 ' O ' ' O ' ' A' ' 36' ' ' ILE . 19.6 mp0 -109.86 171.51 7.41 Favored 'General case' 0 N--CA 1.503 2.212 0 O-C-N 121.367 -0.833 . . . . 0.0 109.055 179.405 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 43.7 mt 54.13 7.91 0.15 Allowed 'General case' 0 N--CA 1.488 1.455 0 O-C-N 121.599 -0.688 . . . . 0.0 110.027 179.491 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . 0.43 ' O ' ' O ' ' A' ' 44' ' ' LEU . 78.8 p -64.19 -39.99 95.16 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 120.936 -1.102 . . . . 0.0 109.534 179.762 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 76.6 m80 -69.98 -39.95 75.65 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.06 -1.025 . . . . 0.0 109.148 179.339 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . 0.487 ' C ' HD12 ' A' ' 44' ' ' LEU . 80.9 m-85 -69.08 -39.12 79.26 Favored 'General case' 0 C--N 1.302 -1.467 0 N-CA-C 108.819 -0.808 . . . . 0.0 108.819 -179.758 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.487 HD12 ' C ' ' A' ' 43' ' ' PHE . 10.3 mp -115.68 118.77 34.0 Favored 'General case' 0 N--CA 1.501 2.081 0 N-CA-C 108.514 -0.921 . . . . 0.0 108.514 179.363 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 20.8 pt-20 -133.95 30.44 3.68 Favored 'General case' 0 N--CA 1.501 2.08 0 O-C-N 121.144 -0.973 . . . . 0.0 110.48 -179.632 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 62.0 tt0 -137.0 44.0 2.34 Favored 'General case' 0 N--CA 1.499 1.978 0 O-C-N 121.163 -0.961 . . . . 0.0 109.165 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 7.2 mm -109.68 124.72 66.63 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.034 0 O-C-N 121.526 -0.734 . . . . 0.0 109.434 -179.888 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 30.4 ttmt -156.24 -35.56 0.08 Allowed 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.273 -0.892 . . . . 0.0 109.412 179.385 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 77.6 mt-10 -99.78 140.0 34.62 Favored 'General case' 0 N--CA 1.496 1.847 0 O-C-N 121.216 -0.927 . . . . 0.0 109.337 -179.804 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . 0.778 ' H ' ' NE2' ' A' ' 50' ' ' GLN . 0.0 OUTLIER -69.73 -21.19 63.49 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.222 -0.924 . . . . 0.0 109.791 -179.748 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 57.4 mm-40 -59.89 -40.14 87.74 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.304 -0.872 . . . . 0.0 109.145 -179.829 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 78.4 t -64.37 -47.44 89.52 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.412 0 O-C-N 121.202 -0.936 . . . . 0.0 108.727 179.19 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 62.1 t -64.46 -47.42 89.4 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.494 0 O-C-N 121.485 -0.759 . . . . 0.0 109.052 179.816 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 7.1 t70 -59.98 -46.88 87.99 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.394 -0.816 . . . . 0.0 110.021 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 86.2 tttt -60.02 -45.67 92.02 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.195 -0.94 . . . . 0.0 109.334 -179.624 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 54.4 t -60.82 -43.9 96.45 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.458 0 O-C-N 121.31 -0.869 . . . . 0.0 109.288 179.302 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 50.5 ttm -60.03 -46.3 89.98 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.309 -0.869 . . . . 0.0 109.447 179.808 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 86.9 tt0 -60.32 -41.57 93.78 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.294 -0.879 . . . . 0.0 109.446 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 99.4 m -68.16 -40.54 82.3 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.346 -0.846 . . . . 0.0 109.562 179.524 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 6.4 tp -75.71 -30.93 59.45 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.349 -0.845 . . . . 0.0 110.125 -179.624 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 97.6 m-20 -58.54 125.51 23.66 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.029 -1.044 . . . . 0.0 109.524 -178.919 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 78.5 mm-40 -96.57 -34.37 11.46 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.353 -0.842 . . . . 0.0 108.757 179.486 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 34.4 p-10 -104.0 -6.41 21.24 Favored 'General case' 0 N--CA 1.497 1.887 0 O-C-N 121.475 -0.765 . . . . 0.0 110.389 -179.668 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 70.1 37.75 72.92 Favored Glycine 0 N--CA 1.493 2.472 0 C-N-CA 119.757 -1.211 . . . . 0.0 110.604 179.417 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 45.2 p-10 -80.22 -12.46 59.63 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 120.837 -1.39 . . . . 0.0 109.464 179.93 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 75.69 9.56 84.85 Favored Glycine 0 N--CA 1.493 2.497 0 C-N-CA 120.212 -0.995 . . . . 0.0 110.865 178.858 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 49.9 mt-10 -143.69 160.31 40.93 Favored 'General case' 0 N--CA 1.497 1.914 0 O-C-N 120.931 -1.335 . . . . 0.0 109.75 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 14.6 t -89.05 106.5 18.47 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.356 -0.84 . . . . 0.0 108.996 179.701 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 94.8 m-20 -90.89 -176.89 4.8 Favored 'General case' 0 N--CA 1.491 1.607 0 N-CA-C 109.323 -0.621 . . . . 0.0 109.323 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 2.8 t80 -60.0 -41.03 91.21 Favored 'General case' 0 C--N 1.302 -1.487 0 O-C-N 121.212 -0.93 . . . . 0.0 109.245 -179.098 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -69.94 -40.09 75.7 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.104 -0.998 . . . . 0.0 109.96 179.455 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 54.9 mm-40 -59.98 -41.41 91.92 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.088 -1.007 . . . . 0.0 109.403 -179.894 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 62.9 t80 -60.29 -44.54 95.28 Favored 'General case' 0 C--N 1.304 -1.399 0 O-C-N 121.201 -0.937 . . . . 0.0 108.753 179.58 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' MET . . . . . 0.476 ' SD ' HG21 ' B' ' 81' ' ' THR . 11.4 tpt -63.07 -40.08 96.62 Favored 'General case' 0 N--CA 1.488 1.455 0 O-C-N 121.588 -0.695 . . . . 0.0 109.271 179.848 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -61.28 -40.8 95.45 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.37 -0.831 . . . . 0.0 109.949 -179.688 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 62.5 t80 -59.95 -45.99 90.87 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.221 -0.924 . . . . 0.0 109.872 -179.348 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 69.8 t -63.1 -40.02 87.44 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.657 0 O-C-N 121.166 -0.959 . . . . 0.0 109.493 179.929 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 47.0 t -59.95 -40.04 87.6 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.292 -0.88 . . . . 0.0 110.515 -179.173 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 98.4 mmm -59.98 -44.11 94.69 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 120.973 -1.079 . . . . 0.0 109.369 -179.164 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 54.5 t -70.01 -43.51 79.2 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.552 0 O-C-N 121.218 -0.926 . . . . 0.0 109.39 179.488 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . 0.447 HG21 ' SD ' ' B' ' 74' ' ' MET . 94.6 m -60.87 -42.12 97.27 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.535 -0.728 . . . . 0.0 111.234 -179.039 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 64.5 p -69.98 -28.55 65.62 Favored 'General case' 0 C--N 1.299 -1.612 0 O-C-N 120.822 -1.174 . . . . 0.0 109.79 -179.245 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -73.23 -19.55 61.06 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.308 -0.87 . . . . 0.0 110.927 -179.437 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' CYS . . . . . 0.55 ' SG ' ' O ' ' A' ' 84' ' ' CYS . 19.0 p -65.93 105.4 1.31 Allowed 'General case' 0 N--CA 1.493 1.696 0 O-C-N 120.734 -1.229 . . . . 0.0 110.38 -178.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 64.3 m-70 -103.54 57.18 0.74 Allowed 'General case' 0 N--CA 1.497 1.876 0 O-C-N 121.253 -0.905 . . . . 0.0 108.634 179.326 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 77.3 mm-40 58.6 19.95 7.18 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.723 -0.611 . . . . 0.0 109.443 -179.638 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 1.4 m-85 -87.32 -10.82 51.25 Favored 'General case' 0 N--CA 1.496 1.841 0 N-CA-C 108.674 -0.862 . . . . 0.0 108.674 179.336 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 28.7 m-85 -81.03 -9.58 59.82 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.435 -0.79 . . . . 0.0 109.149 179.822 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -60.11 -173.54 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.301 -0.875 . . . . 0.0 109.175 179.402 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 49.4 m80 -59.31 139.04 57.39 Favored 'General case' 0 N--CA 1.488 1.439 0 O-C-N 121.081 -1.012 . . . . 0.0 108.904 -179.696 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.492 1.672 0 CA-C-O 118.009 -0.996 . . . . 0.0 109.533 -179.482 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 0' ' ' MET . . . . . . . . . . . . . 10.5 ptp . . . . . 0 N--CA 1.491 1.58 0 N-CA-C 109.349 -0.612 . . . . 0.0 109.349 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 20.1 t -163.15 -162.86 0.79 Allowed 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.218 -0.926 . . . . 0.0 109.883 -179.817 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 39.7 tt0 -60.03 -39.89 87.45 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.374 -0.828 . . . . 0.0 109.761 -179.781 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 56.6 mt -59.99 -36.98 78.35 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.274 -0.891 . . . . 0.0 109.58 -179.322 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 83.5 tt0 -59.93 -43.94 94.63 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 120.969 -1.082 . . . . 0.0 109.099 -179.564 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 61.1 mttp -68.25 -40.04 82.08 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.026 -1.046 . . . . 0.0 109.204 179.622 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -61.84 -47.7 83.86 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.306 -0.871 . . . . 0.0 109.238 179.766 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 7' ' ' MET . . . . . . . . . . . . . 45.1 tpp -60.09 -45.7 92.06 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.234 -0.916 . . . . 0.0 108.945 179.691 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 60.5 t -69.0 -40.99 81.56 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.484 0 O-C-N 121.541 -0.725 . . . . 0.0 109.593 -179.703 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -63.29 -44.48 94.91 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.273 -0.892 . . . . 0.0 110.165 -179.595 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 56.9 tp -60.02 -49.5 77.41 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.241 -0.912 . . . . 0.0 110.036 -179.504 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 97.4 mt -66.07 -39.91 85.77 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.539 0 O-C-N 121.218 -0.926 . . . . 0.0 110.118 -179.331 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 97.4 m-20 -60.29 -40.15 89.42 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.204 -0.935 . . . . 0.0 110.781 -179.252 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 53.1 t -68.71 -41.99 82.85 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.57 0 O-C-N 120.759 -1.213 . . . . 0.0 109.39 -179.484 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 14' ' ' PHE . . . . . . . . . . . . . 79.9 t80 -60.02 -49.98 75.53 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.198 -0.939 . . . . 0.0 110.675 -179.79 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 20.0 t60 -64.87 -45.95 83.88 Favored 'General case' 0 N--CA 1.494 1.739 0 O-C-N 121.032 -1.042 . . . . 0.0 110.552 -179.127 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 11.5 tm0? -60.08 -41.25 92.04 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.218 -0.926 . . . . 0.0 110.179 -179.092 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 1.1 t80 -70.19 -39.98 74.9 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.206 -0.934 . . . . 0.0 109.373 -179.737 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 41.4 t -60.33 -40.01 89.1 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.197 -0.939 . . . . 0.0 109.589 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -76.57 -9.94 85.96 Favored Glycine 0 N--CA 1.49 2.243 0 N-CA-C 110.141 -1.184 . . . . 0.0 110.141 -179.185 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -60.15 -43.14 95.99 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.091 -1.241 . . . . 0.0 108.685 179.905 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 21' ' ' GLU . . . . . 0.456 ' OE1' ' N ' ' B' ' 22' ' ' GLY . 1.6 tm-20 -97.48 164.75 12.31 Favored 'General case' 0 N--CA 1.499 2.0 0 O-C-N 121.09 -1.007 . . . . 0.0 108.895 179.18 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 22' ' ' GLY . . . . . 0.456 ' N ' ' OE1' ' B' ' 21' ' ' GLU . . . -57.01 -24.16 49.37 Favored Glycine 0 N--CA 1.492 2.383 0 N-CA-C 110.417 -1.073 . . . . 0.0 110.417 -179.745 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 96.1 m-20 -80.13 86.18 5.6 Favored 'General case' 0 N--CA 1.497 1.885 0 O-C-N 120.881 -1.364 . . . . 0.0 110.181 -179.2 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 32.2 mtmm -70.63 -39.91 73.44 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.609 -0.682 . . . . 0.0 111.07 179.92 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 25' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -68.54 -34.28 75.57 Favored 'General case' 0 N--CA 1.496 1.873 0 O-C-N 121.279 -0.888 . . . . 0.0 112.194 -177.197 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 16.2 ptpt -149.39 169.91 19.77 Favored 'General case' 0 N--CA 1.5 2.055 0 O-C-N 120.42 -1.425 . . . . 0.0 111.579 -177.582 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 4.7 mp -110.86 139.86 45.82 Favored 'General case' 0 N--CA 1.495 1.781 0 N-CA-C 109.095 -0.706 . . . . 0.0 109.095 179.93 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 11.7 pttp -101.56 -177.87 3.56 Favored 'General case' 0 N--CA 1.502 2.125 0 O-C-N 121.283 -0.885 . . . . 0.0 110.246 -179.777 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 25.6 pttm -59.91 -39.34 85.11 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.382 -0.824 . . . . 0.0 110.618 -178.855 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 82.7 p -59.98 -43.87 94.86 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.012 -1.055 . . . . 0.0 109.656 -179.05 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 77.1 mt-10 -66.72 -40.64 88.48 Favored 'General case' 0 N--CA 1.488 1.451 0 O-C-N 121.155 -0.966 . . . . 0.0 109.161 179.869 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 59.8 tp -64.24 -45.49 87.94 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 121.555 -0.716 . . . . 0.0 109.281 -179.801 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 12.9 ttmm -60.02 -48.36 82.04 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.218 -0.926 . . . . 0.0 109.774 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 82.3 tt0 -62.31 -40.03 94.99 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.378 -0.826 . . . . 0.0 110.206 -179.581 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 35' ' ' LEU . . . . . 0.436 ' O ' HD23 ' B' ' 35' ' ' LEU . 1.4 tt -54.05 -41.85 68.59 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.249 -0.907 . . . . 0.0 109.307 -178.68 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 36' ' ' ILE . . . . . 0.477 ' O ' ' O ' ' B' ' 39' ' ' GLU . 37.3 mm -63.92 -40.49 89.25 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.658 0 O-C-N 120.897 -1.127 . . . . 0.0 109.56 179.934 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 41.5 t30 -61.07 -41.02 95.85 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 120.895 -1.128 . . . . 0.0 110.629 -179.572 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 32.7 m120 -79.08 -55.1 5.37 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.039 -1.038 . . . . 0.0 110.278 -179.033 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 39' ' ' GLU . . . . . 0.477 ' O ' ' O ' ' B' ' 36' ' ' ILE . 19.3 mp0 -109.81 171.44 7.44 Favored 'General case' 0 N--CA 1.504 2.244 0 O-C-N 121.382 -0.824 . . . . 0.0 109.061 179.451 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 45.2 mt 54.05 7.88 0.14 Allowed 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.622 -0.674 . . . . 0.0 110.049 179.556 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 41' ' ' SER . . . . . 0.433 ' O ' ' O ' ' B' ' 44' ' ' LEU . 80.9 p -64.02 -40.04 95.45 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 120.956 -1.09 . . . . 0.0 109.472 179.91 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 42' ' ' HIS . . . . . . . . . . . . . 76.8 m80 -69.96 -39.89 75.74 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.115 -0.991 . . . . 0.0 109.296 179.287 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 43' ' ' PHE . . . . . 0.49 ' C ' HD12 ' B' ' 44' ' ' LEU . 79.7 m-85 -69.12 -39.25 79.03 Favored 'General case' 0 C--N 1.302 -1.499 0 N-CA-C 108.718 -0.845 . . . . 0.0 108.718 -179.726 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 44' ' ' LEU . . . . . 0.49 HD12 ' C ' ' B' ' 43' ' ' PHE . 10.4 mp -115.48 118.65 33.76 Favored 'General case' 0 N--CA 1.502 2.143 0 N-CA-C 108.504 -0.924 . . . . 0.0 108.504 179.395 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 20.8 pt-20 -133.87 30.39 3.71 Favored 'General case' 0 N--CA 1.501 2.115 0 O-C-N 121.21 -0.931 . . . . 0.0 110.435 -179.628 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 61.3 tt0 -137.06 43.77 2.35 Favored 'General case' 0 N--CA 1.498 1.94 0 O-C-N 121.142 -0.974 . . . . 0.0 109.313 -179.937 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 7.2 mm -109.68 124.56 66.5 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.032 0 O-C-N 121.474 -0.766 . . . . 0.0 109.467 -179.903 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 31.5 ttmt -155.78 -35.46 0.09 Allowed 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.252 -0.905 . . . . 0.0 109.55 179.386 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 80.2 mt-10 -99.84 139.94 34.77 Favored 'General case' 0 N--CA 1.496 1.835 0 O-C-N 121.297 -0.877 . . . . 0.0 109.252 -179.753 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 50' ' ' GLN . . . . . 0.765 ' NE2' ' H ' ' B' ' 50' ' ' GLN . 0.0 OUTLIER -69.72 -21.07 63.51 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.289 -0.882 . . . . 0.0 109.825 -179.708 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 56.7 mm-40 -60.0 -39.98 87.63 Favored 'General case' 0 N--CA 1.488 1.438 0 O-C-N 121.189 -0.944 . . . . 0.0 109.186 -179.884 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 73.2 t -64.55 -47.43 89.14 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.467 0 C-N-CA 119.477 -0.889 . . . . 0.0 108.73 179.189 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 53.3 t -64.43 -47.37 89.69 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.494 0 O-C-N 121.456 -0.777 . . . . 0.0 109.081 179.717 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 7.0 t70 -60.05 -46.63 88.9 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.326 -0.859 . . . . 0.0 110.094 179.893 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 86.2 tttt -60.06 -46.04 90.88 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.047 -1.033 . . . . 0.0 109.223 -179.607 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 55.0 t -60.64 -43.97 95.94 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.47 0 O-C-N 121.363 -0.835 . . . . 0.0 109.269 179.324 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 57' ' ' MET . . . . . . . . . . . . . 53.4 ttm -59.87 -46.24 89.93 Favored 'General case' 0 N--CA 1.488 1.463 0 O-C-N 121.299 -0.875 . . . . 0.0 109.451 179.827 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 86.7 tt0 -60.38 -41.6 94.1 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.155 -0.966 . . . . 0.0 109.406 179.924 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 99.1 m -68.25 -40.24 82.01 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.292 -0.88 . . . . 0.0 109.627 179.63 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 6.1 tp -75.77 -31.09 59.35 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.363 -0.835 . . . . 0.0 110.132 -179.748 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 97.6 m-20 -58.39 125.45 23.37 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.099 -1.001 . . . . 0.0 109.545 -178.91 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 78.6 mm-40 -96.45 -34.4 11.52 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.31 -0.869 . . . . 0.0 108.857 179.408 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 63' ' ' ASP . . . . . 0.406 ' OD1' ' N ' ' B' ' 63' ' ' ASP . 34.5 p-10 -103.94 -6.4 21.32 Favored 'General case' 0 N--CA 1.496 1.854 0 O-C-N 121.551 -0.718 . . . . 0.0 110.37 -179.735 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 69.97 37.9 74.31 Favored Glycine 0 N--CA 1.494 2.51 0 C-N-CA 119.812 -1.185 . . . . 0.0 110.536 179.46 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 44.8 p-10 -80.21 -12.55 59.63 Favored 'General case' 0 N--CA 1.494 1.748 0 O-C-N 120.824 -1.398 . . . . 0.0 109.538 179.816 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 75.83 9.32 85.07 Favored Glycine 0 N--CA 1.492 2.4 0 C-N-CA 120.288 -0.958 . . . . 0.0 110.943 178.891 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 50.0 mt-10 -143.59 160.61 40.34 Favored 'General case' 0 N--CA 1.499 1.984 0 O-C-N 120.924 -1.339 . . . . 0.0 109.818 179.902 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 68' ' ' CYS . . . . . . . . . . . . . 11.5 t -88.91 106.45 18.41 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.299 -0.876 . . . . 0.0 109.033 179.705 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 95.0 m-20 -91.09 -176.81 4.72 Favored 'General case' 0 N--CA 1.493 1.688 0 N-CA-C 109.204 -0.665 . . . . 0.0 109.204 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 2.7 t80 -59.98 -41.25 91.62 Favored 'General case' 0 N--CA 1.488 1.456 0 O-C-N 121.199 -0.938 . . . . 0.0 109.258 -179.033 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -69.77 -40.03 76.32 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.198 -0.939 . . . . 0.0 110.013 179.521 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 54.5 mm-40 -59.99 -41.53 92.27 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.033 -1.042 . . . . 0.0 109.452 -179.933 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 73' ' ' PHE . . . . . . . . . . . . . 62.8 t80 -60.25 -44.44 95.26 Favored 'General case' 0 N--CA 1.488 1.43 0 O-C-N 121.199 -0.938 . . . . 0.0 108.729 179.46 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 74' ' ' MET . . . . . 0.447 ' SD ' HG21 ' A' ' 81' ' ' THR . 12.6 tpt -63.04 -40.08 96.64 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.569 -0.707 . . . . 0.0 109.275 179.861 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -61.37 -40.84 95.79 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.34 -0.85 . . . . 0.0 110.045 -179.714 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 64.8 t80 -60.06 -45.85 91.52 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.238 -0.914 . . . . 0.0 109.777 -179.299 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 77' ' ' VAL . . . . . . . . . . . . . 71.0 t -63.15 -39.96 87.23 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.667 0 O-C-N 121.111 -0.993 . . . . 0.0 109.571 179.858 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 78' ' ' SER . . . . . . . . . . . . . 44.1 t -59.96 -40.07 87.79 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.337 -0.852 . . . . 0.0 110.384 -179.234 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 79' ' ' MET . . . . . . . . . . . . . 98.7 mmm -59.95 -44.18 94.55 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 120.895 -1.128 . . . . 0.0 109.38 -179.089 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 54.4 t -69.96 -43.48 79.37 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.576 0 O-C-N 121.145 -0.972 . . . . 0.0 109.552 179.272 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 81' ' ' THR . . . . . 0.476 HG21 ' SD ' ' A' ' 74' ' ' MET . 94.5 m -60.89 -42.0 97.13 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.532 -0.73 . . . . 0.0 111.233 -178.931 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 49.1 p -69.99 -28.6 65.66 Favored 'General case' 0 C--N 1.3 -1.57 0 O-C-N 120.757 -1.214 . . . . 0.0 109.887 -179.393 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -72.81 -20.04 61.22 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.36 -0.837 . . . . 0.0 110.866 -179.423 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 84' ' ' CYS . . . . . 0.542 ' SG ' ' O ' ' B' ' 84' ' ' CYS . 19.2 p -65.77 105.55 1.3 Allowed 'General case' 0 N--CA 1.494 1.756 0 O-C-N 120.754 -1.216 . . . . 0.0 110.388 -178.804 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 85' ' ' HIS . . . . . . . . . . . . . 64.3 m-70 -103.79 57.26 0.73 Allowed 'General case' 0 N--CA 1.497 1.892 0 O-C-N 121.219 -0.926 . . . . 0.0 108.56 179.305 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 77.9 mm-40 58.54 19.98 7.14 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.675 -0.641 . . . . 0.0 109.377 -179.625 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 87' ' ' PHE . . . . . . . . . . . . . 1.4 m-85 -87.38 -10.89 50.88 Favored 'General case' 0 N--CA 1.494 1.752 0 O-C-N 121.207 -0.933 . . . . 0.0 108.661 179.437 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 29.0 m-85 -81.07 -9.7 59.79 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.326 -0.859 . . . . 0.0 109.216 179.815 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -59.74 -173.31 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.314 -0.866 . . . . 0.0 109.169 179.349 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 90' ' ' HIS . . . . . . . . . . . . . 43.9 m80 -59.98 140.0 57.05 Favored 'General case' 0 N--CA 1.487 1.419 0 O-C-N 120.97 -1.081 . . . . 0.0 109.146 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.491 1.597 0 CA-C-O 117.906 -1.045 . . . . 0.0 109.473 -179.308 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 92' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 93' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' B' B ' 92' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' B' B ' 93' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 0' ' ' MET . . . . . 0.467 ' SD ' ' N ' ' A' ' 0' ' ' MET . 4.6 mpp? . . . . . 0 N--CA 1.488 1.452 0 N-CA-C 109.337 -0.616 . . . . 0.0 109.337 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 18.9 p -113.98 128.86 56.57 Favored 'General case' 0 N--CA 1.499 2.003 0 O-C-N 121.485 -0.759 . . . . 0.0 109.652 -179.853 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 75.9 mm-40 -63.21 -39.9 95.95 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.552 -0.717 . . . . 0.0 109.644 179.839 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -59.88 -39.92 86.93 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.342 -0.849 . . . . 0.0 109.632 -178.789 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 51.1 tp10 -60.06 -45.15 93.83 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 120.759 -1.213 . . . . 0.0 109.092 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 9.5 mtmp? -67.26 -34.16 76.86 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.149 -0.969 . . . . 0.0 109.071 179.2 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -59.91 -40.12 87.74 Favored 'General case' 0 N--CA 1.487 1.424 0 O-C-N 121.345 -0.847 . . . . 0.0 109.497 -179.413 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 4.0 tpt -60.0 -47.48 85.65 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.04 -1.037 . . . . 0.0 108.728 179.522 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 53.0 t -69.77 -40.1 78.7 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.587 0 O-C-N 121.38 -0.825 . . . . 0.0 108.946 179.679 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.95 -40.06 91.88 Favored 'General case' 0 N--CA 1.488 1.454 0 O-C-N 121.601 -0.687 . . . . 0.0 110.214 -179.763 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 22.1 tp -59.97 -49.95 75.65 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.054 -1.029 . . . . 0.0 110.01 -178.305 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 97.8 mt -70.1 -46.13 73.72 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.808 0 O-C-N 120.855 -1.153 . . . . 0.0 110.632 -179.517 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 59.9 t0 -60.73 -48.36 82.13 Favored 'General case' 0 N--CA 1.494 1.755 0 O-C-N 120.941 -1.1 . . . . 0.0 110.063 -179.156 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 54.7 t -60.48 -39.0 79.83 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.632 0 O-C-N 121.441 -0.787 . . . . 0.0 109.998 -179.889 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 26.3 t80 -59.84 -49.96 75.67 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.156 -0.965 . . . . 0.0 110.463 -178.549 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 50.0 m-70 -74.94 -41.84 58.85 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 120.68 -1.263 . . . . 0.0 111.01 -179.54 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 7.3 tt0 -59.99 -50.67 72.82 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 120.896 -1.127 . . . . 0.0 110.739 -178.633 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 9.9 m-85 -71.12 -42.6 69.03 Favored 'General case' 0 N--CA 1.495 1.794 0 O-C-N 120.995 -1.066 . . . . 0.0 109.794 -179.842 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 19.8 t -69.98 -39.99 75.61 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.393 -0.817 . . . . 0.0 110.616 -179.321 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -70.82 -9.38 65.79 Favored Glycine 0 N--CA 1.491 2.348 0 C-N-CA 120.239 -0.981 . . . . 0.0 111.1 -178.683 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 14.5 ttp180 -60.21 -39.96 88.42 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 120.552 -1.558 . . . . 0.0 109.592 -179.642 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 99.4 mt-10 -132.83 82.96 2.03 Favored 'General case' 0 N--CA 1.499 1.983 0 O-C-N 121.336 -0.852 . . . . 0.0 109.933 -179.587 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 44.68 -163.21 0.07 OUTLIER Glycine 0 N--CA 1.493 2.491 0 N-CA-C 109.995 -1.242 . . . . 0.0 109.995 179.346 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 74.0 m-20 50.08 39.87 20.22 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.285 -1.127 . . . . 0.0 108.714 179.934 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 14.8 ptmt -62.07 -33.78 75.05 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.536 -0.728 . . . . 0.0 111.199 -178.936 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . 0.465 ' CG ' ' O ' ' A' ' 25' ' ' HIS . 44.0 t-80 -99.27 4.83 46.69 Favored 'General case' 0 N--CA 1.499 2.005 0 O-C-N 121.002 -1.062 . . . . 0.0 110.708 -179.067 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 87.1 mttt -141.38 157.39 45.25 Favored 'General case' 0 N--CA 1.502 2.169 0 O-C-N 121.016 -1.052 . . . . 0.0 110.713 -179.028 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 85.0 mt -115.9 115.45 26.23 Favored 'General case' 0 N--CA 1.501 2.115 0 N-CA-C 108.606 -0.887 . . . . 0.0 108.606 178.818 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.413 ' HG2' ' H ' ' A' ' 29' ' ' LYS . 54.9 tttp -95.28 169.25 10.22 Favored 'General case' 0 N--CA 1.496 1.859 0 O-C-N 121.127 -0.983 . . . . 0.0 108.947 179.952 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.413 ' H ' ' HG2' ' A' ' 28' ' ' LYS . 7.8 ptpp? -56.47 -38.98 72.44 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 120.905 -1.122 . . . . 0.0 110.126 -179.05 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 35.1 t -60.73 -46.02 92.04 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 120.842 -1.161 . . . . 0.0 109.933 -179.814 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 8.6 mm-40 -69.64 -39.97 76.8 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.316 -0.865 . . . . 0.0 110.018 -179.443 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 8.5 tt -62.0 -40.09 94.44 Favored 'General case' 0 N--CA 1.494 1.751 0 O-C-N 121.153 -0.967 . . . . 0.0 109.712 -179.686 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 61.9 tttm -59.92 -39.94 87.19 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.354 -0.841 . . . . 0.0 110.323 -179.238 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 3.4 tm-20 -59.95 -40.0 87.53 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 120.933 -1.104 . . . . 0.0 109.372 -178.691 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 87.7 mt -60.26 -38.15 82.64 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.305 -0.872 . . . . 0.0 110.111 179.762 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.444 ' O ' ' O ' ' A' ' 39' ' ' GLU . 47.2 mm -60.01 -50.05 81.63 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.797 0 O-C-N 121.36 -0.838 . . . . 0.0 111.153 -177.925 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . 0.438 ' O ' ' OG ' ' A' ' 41' ' ' SER . 61.5 m-20 -61.71 -40.04 93.63 Favored 'General case' 0 N--CA 1.494 1.772 0 O-C-N 120.508 -1.37 . . . . 0.0 110.023 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 28.6 t-20 -79.88 -41.95 25.17 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.009 -1.057 . . . . 0.0 110.344 179.912 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . 0.444 ' O ' ' O ' ' A' ' 36' ' ' ILE . 87.9 tt0 -122.04 157.09 32.15 Favored 'General case' 0 N--CA 1.502 2.129 0 O-C-N 121.451 -0.78 . . . . 0.0 110.438 -178.653 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 9.1 mt 58.57 20.25 7.44 Favored 'General case' 0 N--CA 1.494 1.74 0 O-C-N 121.713 -0.617 . . . . 0.0 110.278 179.068 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . 0.438 ' OG ' ' O ' ' A' ' 37' ' ' ASN . 55.1 m -70.39 -41.26 73.25 Favored 'General case' 0 C--N 1.3 -1.572 0 O-C-N 121.001 -1.062 . . . . 0.0 109.907 179.788 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 15.7 t60 -97.21 -43.27 7.43 Favored 'General case' 0 N--CA 1.497 1.903 0 O-C-N 121.264 -0.897 . . . . 0.0 110.889 -178.719 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -59.97 -42.48 94.24 Favored 'General case' 0 N--CA 1.495 1.78 0 O-C-N 120.966 -1.084 . . . . 0.0 110.174 -179.24 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 47.6 tp -95.2 150.67 19.97 Favored 'General case' 0 N--CA 1.498 1.926 0 O-C-N 120.994 -1.066 . . . . 0.0 108.996 -179.596 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.447 ' OE1' ' O ' ' A' ' 46' ' ' GLU . 12.4 tm-20 -54.05 137.98 38.53 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.173 -0.954 . . . . 0.0 109.067 -179.414 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.447 ' O ' ' OE1' ' A' ' 45' ' ' GLU . 51.5 mt-10 -63.66 133.62 53.96 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.251 -0.905 . . . . 0.0 109.997 -179.207 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 87.2 mt -108.23 124.89 64.87 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.957 0 O-C-N 121.449 -0.782 . . . . 0.0 109.24 179.361 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 32.2 ttmt -107.2 -28.5 9.9 Favored 'General case' 0 N--CA 1.496 1.844 0 O-C-N 121.579 -0.701 . . . . 0.0 109.457 -179.897 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.482 ' CD ' ' H ' ' A' ' 49' ' ' GLU . 1.0 OUTLIER -102.12 135.74 43.17 Favored 'General case' 0 N--CA 1.496 1.858 0 O-C-N 121.38 -0.825 . . . . 0.0 109.909 -179.334 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 94.0 mt-30 -70.07 -19.39 63.28 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.612 -0.68 . . . . 0.0 109.544 179.736 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 88.9 tt0 -59.92 -39.48 85.61 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.456 -0.778 . . . . 0.0 109.666 -179.4 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 73.9 t -60.08 -40.12 82.38 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.489 0 O-C-N 121.128 -0.982 . . . . 0.0 109.052 -179.39 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 54.5 t -65.93 -42.3 91.63 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.544 0 O-C-N 121.14 -0.975 . . . . 0.0 109.351 179.571 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 79.2 m-20 -60.1 -44.1 95.09 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.233 -0.917 . . . . 0.0 110.365 -179.598 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -62.7 -40.65 97.79 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.104 -0.997 . . . . 0.0 109.884 -179.57 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 54.0 t -65.09 -40.01 87.48 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.547 0 O-C-N 121.205 -0.935 . . . . 0.0 109.654 -179.559 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 88.4 mmm -60.07 -41.33 92.18 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.089 -1.007 . . . . 0.0 109.877 -179.818 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 84.8 tt0 -61.0 -40.99 95.62 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.292 -0.88 . . . . 0.0 109.755 -179.52 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 94.1 m -69.02 -40.04 78.9 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.355 -0.84 . . . . 0.0 109.868 -179.769 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.403 HD13 ' HA ' ' A' ' 60' ' ' LEU . 2.8 mm? -73.76 -4.09 32.47 Favored 'General case' 0 N--CA 1.494 1.764 0 O-C-N 121.346 -0.846 . . . . 0.0 110.286 -179.243 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . 0.487 ' OD1' ' N ' ' A' ' 64' ' ' GLY . 60.4 t0 -72.48 68.28 0.79 Allowed 'General case' 0 N--CA 1.49 1.549 0 O-C-N 120.72 -1.237 . . . . 0.0 109.289 -179.801 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 53.1 tp10 -69.76 -39.81 76.48 Favored 'General case' 0 N--CA 1.494 1.74 0 O-C-N 121.432 -0.793 . . . . 0.0 110.427 -179.706 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 51.5 p-10 -87.76 -0.64 57.19 Favored 'General case' 0 N--CA 1.5 2.039 0 O-C-N 120.894 -1.129 . . . . 0.0 110.91 -178.683 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . 0.487 ' N ' ' OD1' ' A' ' 61' ' ' ASP . . . 70.9 22.79 78.38 Favored Glycine 0 N--CA 1.494 2.513 0 O-C-N 120.832 -1.167 . . . . 0.0 110.903 178.656 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . 0.417 ' OD2' ' O ' ' A' ' 67' ' ' GLU . 31.2 p-10 -84.43 -14.42 49.36 Favored 'General case' 0 N--CA 1.498 1.935 0 O-C-N 120.742 -1.446 . . . . 0.0 110.478 -179.556 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 89.84 -10.0 75.29 Favored Glycine 0 N--CA 1.498 2.813 0 O-C-N 120.719 -1.238 . . . . 0.0 110.659 179.099 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.417 ' O ' ' OD2' ' A' ' 65' ' ' ASP . 2.2 pm0 -144.46 167.16 23.14 Favored 'General case' 0 N--CA 1.498 1.947 0 O-C-N 120.917 -1.343 . . . . 0.0 109.14 179.346 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 2.2 p -88.73 117.16 27.51 Favored 'General case' 0 N--CA 1.496 1.841 0 O-C-N 120.976 -1.078 . . . . 0.0 110.106 -178.721 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 86.2 m-20 -91.42 -173.13 3.49 Favored 'General case' 0 N--CA 1.492 1.663 0 CA-C-O 121.69 0.757 . . . . 0.0 110.05 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 66.7 t80 -60.08 -49.91 75.79 Favored 'General case' 0 N--CA 1.486 1.362 0 CA-C-O 121.43 0.633 . . . . 0.0 109.418 179.863 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 12.1 tp-100 -60.13 -47.46 85.82 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.434 -0.791 . . . . 0.0 110.13 -179.906 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 94.6 mt-10 -69.26 -35.62 76.28 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 121.113 -0.992 . . . . 0.0 110.48 -178.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 87.4 t80 -59.98 -43.85 94.85 Favored 'General case' 0 C--N 1.299 -1.608 0 O-C-N 121.016 -1.052 . . . . 0.0 109.248 -179.51 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 11.1 tpt -61.33 -39.97 92.5 Favored 'General case' 0 C--N 1.301 -1.543 0 O-C-N 121.099 -1.001 . . . . 0.0 109.236 179.031 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -60.21 -37.25 79.7 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.648 -0.657 . . . . 0.0 110.379 -179.388 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 64.9 t80 -60.08 -40.65 90.26 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 120.974 -1.079 . . . . 0.0 109.893 -179.078 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 68.1 t -60.92 -39.99 83.88 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.535 0 O-C-N 121.098 -1.001 . . . . 0.0 108.849 179.797 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 78.2 p -61.91 -40.64 96.17 Favored 'General case' 0 N--CA 1.487 1.412 0 O-C-N 121.477 -0.764 . . . . 0.0 110.0 -179.541 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 61.7 mtt -60.45 -46.39 90.24 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.024 -1.048 . . . . 0.0 109.855 -179.882 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 87.9 t -69.6 -43.61 80.23 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.479 0 O-C-N 121.121 -0.987 . . . . 0.0 108.892 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 94.2 m -63.87 -40.04 95.62 Favored 'General case' 0 C--N 1.304 -1.38 0 O-C-N 121.397 -0.815 . . . . 0.0 108.876 179.686 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 94.6 m -63.34 -40.0 96.09 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.33 -0.856 . . . . 0.0 109.405 179.765 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -63.3 -39.85 95.71 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.249 -0.907 . . . . 0.0 109.693 -179.738 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 60.8 m -65.27 102.77 0.7 Allowed 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.144 -0.972 . . . . 0.0 109.24 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 14.5 t-160 -99.71 -120.84 0.15 Allowed 'General case' 0 N--CA 1.498 1.958 0 O-C-N 121.212 -0.93 . . . . 0.0 109.762 -179.722 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 91.4 mt-10 -89.23 33.49 0.81 Allowed 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.156 -0.965 . . . . 0.0 109.079 179.792 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 31.0 t80 -59.94 -46.15 90.31 Favored 'General case' 0 C--N 1.3 -1.555 0 O-C-N 121.452 -0.78 . . . . 0.0 109.928 -178.806 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . 0.423 ' O ' ' O ' ' A' ' 89' ' ' GLU . 11.8 p90 -143.51 17.96 1.86 Allowed 'General case' 0 N--CA 1.5 2.048 0 O-C-N 121.029 -1.044 . . . . 0.0 109.595 179.752 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . 0.423 ' O ' ' O ' ' A' ' 88' ' ' PHE . 98.5 mt-10 -61.4 -145.69 0.0 OUTLIER 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.431 -0.793 . . . . 0.0 109.29 -179.933 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 1.2 t-80 58.49 39.93 24.47 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.165 -0.96 . . . . 0.0 109.148 -179.746 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 88.1 tt0 . . . . . 0 N--CA 1.488 1.457 0 CA-C-O 118.061 -0.971 . . . . 0.0 109.195 179.966 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' B' B ' 0' ' ' MET . . . . . 0.446 ' SD ' ' N ' ' B' ' 0' ' ' MET . 4.6 mpp? . . . . . 0 N--CA 1.491 1.578 0 N-CA-C 109.34 -0.615 . . . . 0.0 109.34 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 16.9 p -114.08 129.06 56.63 Favored 'General case' 0 N--CA 1.5 2.039 0 O-C-N 121.496 -0.752 . . . . 0.0 109.609 -179.832 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 75.8 mm-40 -63.25 -39.85 95.77 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.426 -0.796 . . . . 0.0 109.647 179.892 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -59.92 -39.8 86.68 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.38 -0.825 . . . . 0.0 109.734 -178.934 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 51.4 tp10 -60.04 -45.8 91.62 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 120.804 -1.185 . . . . 0.0 109.045 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 9.2 mtmp? -66.7 -34.22 77.37 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.191 -0.943 . . . . 0.0 109.079 179.106 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -59.88 -40.29 88.22 Favored 'General case' 0 N--CA 1.488 1.447 0 O-C-N 121.349 -0.844 . . . . 0.0 109.56 -179.449 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 7' ' ' MET . . . . . . . . . . . . . 3.9 tpt -60.09 -47.54 85.46 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.073 -1.017 . . . . 0.0 108.629 179.627 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 53.7 t -69.59 -40.09 79.12 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.553 0 O-C-N 121.418 -0.801 . . . . 0.0 108.964 179.7 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.91 -39.94 91.22 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.438 -0.789 . . . . 0.0 110.276 -179.749 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 25.9 tp -59.88 -49.99 75.55 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.233 -0.917 . . . . 0.0 109.987 -178.279 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 96.7 mt -70.06 -46.88 71.28 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.877 0 O-C-N 120.869 -1.145 . . . . 0.0 110.69 -179.555 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 59.8 t0 -60.13 -48.35 82.11 Favored 'General case' 0 N--CA 1.496 1.836 0 O-C-N 121.017 -1.052 . . . . 0.0 109.991 -179.293 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 54.0 t -60.51 -39.59 81.71 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.73 0 O-C-N 121.463 -0.773 . . . . 0.0 109.865 -179.715 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 14' ' ' PHE . . . . . 0.4 ' CD1' ' C ' ' B' ' 14' ' ' PHE . 27.7 t80 -59.38 -49.99 75.69 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.192 -0.942 . . . . 0.0 110.497 -178.565 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 49.5 m-70 -74.9 -42.0 58.63 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 120.793 -1.192 . . . . 0.0 110.975 -179.543 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 7.3 tt0 -60.02 -50.51 73.45 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 120.788 -1.195 . . . . 0.0 110.74 -178.59 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 9.6 m-85 -71.13 -42.46 69.16 Favored 'General case' 0 N--CA 1.495 1.786 0 O-C-N 120.905 -1.122 . . . . 0.0 109.893 -179.808 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 20.6 t -70.04 -40.13 75.31 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.43 -0.794 . . . . 0.0 110.59 -179.369 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -70.62 -9.56 65.46 Favored Glycine 0 N--CA 1.49 2.258 0 C-N-CA 120.177 -1.011 . . . . 0.0 111.085 -178.74 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 14.3 ttp180 -60.06 -40.03 88.06 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 120.516 -1.579 . . . . 0.0 109.714 -179.46 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 99.2 mt-10 -133.04 83.42 2.06 Favored 'General case' 0 N--CA 1.499 1.979 0 O-C-N 121.387 -0.821 . . . . 0.0 109.683 -179.527 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . 44.26 -162.99 0.06 OUTLIER Glycine 0 N--CA 1.494 2.502 0 N-CA-C 110.214 -1.154 . . . . 0.0 110.214 179.498 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 73.6 m-20 50.08 39.96 20.46 Favored 'General case' 0 N--CA 1.493 1.718 0 O-C-N 121.339 -1.095 . . . . 0.0 108.674 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 15.3 ptmt -62.3 -33.52 74.83 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.627 -0.67 . . . . 0.0 111.129 -178.8 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 25' ' ' HIS . . . . . 0.463 ' CG ' ' O ' ' B' ' 25' ' ' HIS . 43.7 t-80 -99.44 4.48 46.17 Favored 'General case' 0 N--CA 1.499 1.981 0 O-C-N 121.031 -1.043 . . . . 0.0 110.646 -179.007 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 89.3 mttt -141.05 157.87 44.71 Favored 'General case' 0 N--CA 1.502 2.161 0 O-C-N 121.03 -1.044 . . . . 0.0 110.666 -179.128 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 85.2 mt -116.28 115.76 26.53 Favored 'General case' 0 N--CA 1.5 2.064 0 N-CA-C 108.672 -0.862 . . . . 0.0 108.672 178.838 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 28' ' ' LYS . . . . . 0.415 ' HG2' ' H ' ' B' ' 29' ' ' LYS . 54.0 tttp -95.69 169.25 10.15 Favored 'General case' 0 N--CA 1.497 1.896 0 O-C-N 121.133 -0.979 . . . . 0.0 108.806 -179.934 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . 0.415 ' H ' ' HG2' ' B' ' 28' ' ' LYS . 7.5 ptpp? -56.3 -39.0 72.01 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 120.931 -1.106 . . . . 0.0 110.081 -179.161 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 33.6 t -60.63 -46.47 90.16 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 120.809 -1.182 . . . . 0.0 109.956 -179.76 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 8.8 mm-40 -69.38 -40.0 77.67 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.256 -0.903 . . . . 0.0 110.086 -179.299 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 8.3 tt -62.1 -39.99 94.35 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.279 -0.888 . . . . 0.0 109.678 -179.561 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 62.5 tttm -60.05 -39.98 87.85 Favored 'General case' 0 N--CA 1.494 1.753 0 O-C-N 121.324 -0.86 . . . . 0.0 110.363 -179.139 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 3.4 tm-20 -59.97 -40.03 87.71 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 120.822 -1.173 . . . . 0.0 109.386 -178.822 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 85.1 mt -60.16 -38.2 82.44 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.33 -0.856 . . . . 0.0 110.03 179.64 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 36' ' ' ILE . . . . . 0.439 ' O ' ' O ' ' B' ' 39' ' ' GLU . 45.0 mm -59.97 -49.84 82.41 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.782 0 O-C-N 121.329 -0.857 . . . . 0.0 111.153 -178.06 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 37' ' ' ASN . . . . . 0.436 ' O ' ' OG ' ' B' ' 41' ' ' SER . 61.1 m-20 -61.88 -40.07 94.14 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 120.474 -1.391 . . . . 0.0 110.037 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 28.8 t-20 -79.87 -41.77 25.58 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.028 -1.045 . . . . 0.0 110.42 179.845 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 39' ' ' GLU . . . . . 0.439 ' O ' ' O ' ' B' ' 36' ' ' ILE . 87.5 tt0 -122.11 156.76 32.92 Favored 'General case' 0 N--CA 1.502 2.165 0 O-C-N 121.482 -0.761 . . . . 0.0 110.601 -178.641 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 9.5 mt 58.64 19.93 7.22 Favored 'General case' 0 N--CA 1.494 1.74 0 CA-C-O 121.228 0.537 . . . . 0.0 110.31 179.235 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 41' ' ' SER . . . . . 0.436 ' OG ' ' O ' ' B' ' 37' ' ' ASN . 51.6 m -70.0 -41.18 74.71 Favored 'General case' 0 C--N 1.3 -1.567 0 O-C-N 121.047 -1.033 . . . . 0.0 109.952 179.721 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 42' ' ' HIS . . . . . . . . . . . . . 16.0 t60 -97.24 -43.53 7.31 Favored 'General case' 0 N--CA 1.498 1.96 0 O-C-N 121.17 -0.956 . . . . 0.0 110.838 -178.845 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -59.98 -42.52 94.37 Favored 'General case' 0 N--CA 1.495 1.8 0 O-C-N 120.966 -1.084 . . . . 0.0 110.064 -179.123 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 44.7 tp -94.93 151.06 19.51 Favored 'General case' 0 N--CA 1.497 1.879 0 O-C-N 120.947 -1.096 . . . . 0.0 108.992 -179.767 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 45' ' ' GLU . . . . . 0.441 ' OE1' ' O ' ' B' ' 46' ' ' GLU . 12.1 tm-20 -54.46 137.97 41.32 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.067 -1.021 . . . . 0.0 109.056 -179.414 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 46' ' ' GLU . . . . . 0.441 ' O ' ' OE1' ' B' ' 45' ' ' GLU . 50.9 mt-10 -63.42 133.53 54.14 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.318 -0.864 . . . . 0.0 110.04 -179.084 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 88.6 mt -108.41 124.62 64.94 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.894 0 O-C-N 121.507 -0.746 . . . . 0.0 109.33 179.412 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 32.5 ttmt -107.03 -28.27 10.13 Favored 'General case' 0 N--CA 1.495 1.779 0 O-C-N 121.507 -0.746 . . . . 0.0 109.556 -179.809 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 49' ' ' GLU . . . . . 0.486 ' CD ' ' H ' ' B' ' 49' ' ' GLU . 1.0 OUTLIER -102.42 135.5 43.92 Favored 'General case' 0 N--CA 1.497 1.875 0 O-C-N 121.453 -0.779 . . . . 0.0 109.888 -179.217 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 94.3 mt-30 -69.99 -19.28 63.35 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.591 -0.693 . . . . 0.0 109.436 179.904 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 89.1 tt0 -59.78 -39.74 85.89 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.453 -0.779 . . . . 0.0 109.695 -179.351 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 70.8 t -60.05 -40.13 82.33 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.526 0 O-C-N 121.172 -0.955 . . . . 0.0 108.974 -179.42 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 54.7 t -65.9 -42.24 91.59 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.56 0 O-C-N 121.235 -0.915 . . . . 0.0 109.301 179.538 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 78.7 m-20 -60.31 -44.26 95.6 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.243 -0.91 . . . . 0.0 110.197 -179.486 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -62.58 -40.2 96.13 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.129 -0.982 . . . . 0.0 109.86 -179.48 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 53.6 t -65.28 -39.99 87.16 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.482 0 O-C-N 121.234 -0.916 . . . . 0.0 109.774 -179.596 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 57' ' ' MET . . . . . . . . . . . . . 88.7 mmm -60.22 -41.29 92.76 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.028 -1.045 . . . . 0.0 109.878 -179.696 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 82.1 tt0 -60.97 -41.09 95.74 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.112 -0.992 . . . . 0.0 109.637 -179.47 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 94.4 m -68.72 -40.07 80.13 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.38 -0.825 . . . . 0.0 109.737 -179.622 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 2.5 mm? -74.08 -4.05 33.2 Favored 'General case' 0 N--CA 1.495 1.814 0 O-C-N 121.287 -0.883 . . . . 0.0 110.378 -179.063 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 61' ' ' ASP . . . . . 0.493 ' OD1' ' N ' ' B' ' 64' ' ' GLY . 58.7 t0 -72.49 68.03 0.78 Allowed 'General case' 0 N--CA 1.492 1.672 0 O-C-N 120.734 -1.229 . . . . 0.0 109.236 179.833 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 52.7 tp10 -69.5 -39.58 77.5 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.318 -0.864 . . . . 0.0 110.365 -179.66 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 51.9 p-10 -87.77 -1.01 57.69 Favored 'General case' 0 N--CA 1.498 1.94 0 O-C-N 120.949 -1.095 . . . . 0.0 110.889 -178.786 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 64' ' ' GLY . . . . . 0.493 ' N ' ' OD1' ' B' ' 61' ' ' ASP . . . 71.39 22.4 78.59 Favored Glycine 0 N--CA 1.494 2.551 0 O-C-N 120.745 -1.222 . . . . 0.0 110.994 178.578 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 32.4 p-10 -84.1 -14.35 50.6 Favored 'General case' 0 N--CA 1.497 1.896 0 O-C-N 120.856 -1.379 . . . . 0.0 110.504 -179.423 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 90.06 -10.49 73.86 Favored Glycine 0 N--CA 1.498 2.81 0 O-C-N 120.771 -1.205 . . . . 0.0 110.721 178.942 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 2.3 pm0 -143.86 167.57 22.0 Favored 'General case' 0 N--CA 1.498 1.959 0 O-C-N 120.911 -1.346 . . . . 0.0 109.182 179.26 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 68' ' ' CYS . . . . . . . . . . . . . 2.0 p -88.98 117.21 27.84 Favored 'General case' 0 N--CA 1.498 1.936 0 O-C-N 120.969 -1.082 . . . . 0.0 110.113 -178.803 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 85.1 m-20 -91.22 -172.63 3.36 Favored 'General case' 0 N--CA 1.491 1.606 0 CA-C-O 121.698 0.761 . . . . 0.0 110.154 179.842 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 65.5 t80 -60.22 -49.99 75.45 Favored 'General case' 0 N--CA 1.488 1.468 0 CA-C-O 121.562 0.696 . . . . 0.0 109.462 179.643 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 12.1 tp-100 -60.38 -47.66 85.09 Favored 'General case' 0 N--CA 1.493 1.675 0 O-C-N 121.414 -0.804 . . . . 0.0 110.075 -179.827 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 94.4 mt-10 -68.54 -36.01 78.23 Favored 'General case' 0 N--CA 1.494 1.759 0 O-C-N 121.306 -0.871 . . . . 0.0 110.647 -179.312 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 73' ' ' PHE . . . . . . . . . . . . . 86.1 t80 -59.95 -43.87 94.73 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.044 -1.035 . . . . 0.0 109.346 -179.456 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 74' ' ' MET . . . . . . . . . . . . . 11.0 tpt -61.42 -40.0 92.82 Favored 'General case' 0 C--N 1.301 -1.504 0 O-C-N 121.13 -0.981 . . . . 0.0 109.072 179.076 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -60.18 -37.31 79.82 Favored 'General case' 0 N--CA 1.494 1.754 0 O-C-N 121.582 -0.699 . . . . 0.0 110.515 -179.481 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 65.6 t80 -60.13 -40.36 89.48 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.084 -1.01 . . . . 0.0 109.972 -179.101 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 77' ' ' VAL . . . . . . . . . . . . . 63.7 t -60.88 -40.12 84.24 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.513 0 O-C-N 121.114 -0.991 . . . . 0.0 108.794 179.698 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 78' ' ' SER . . . . . . . . . . . . . 67.4 p -61.95 -40.49 95.71 Favored 'General case' 0 N--CA 1.487 1.394 0 O-C-N 121.433 -0.792 . . . . 0.0 109.993 -179.445 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 79' ' ' MET . . . . . . . . . . . . . 61.6 mtt -60.53 -46.72 89.14 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 120.901 -1.124 . . . . 0.0 109.9 -179.883 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 95.9 t -69.4 -43.41 80.95 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.518 0 O-C-N 121.255 -0.903 . . . . 0.0 108.852 179.902 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 94.3 m -64.01 -39.96 95.28 Favored 'General case' 0 C--N 1.304 -1.389 0 O-C-N 121.427 -0.795 . . . . 0.0 109.043 179.602 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 94.3 m -63.36 -40.0 96.07 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.314 -0.866 . . . . 0.0 109.548 179.552 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -63.07 -39.9 96.1 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.258 -0.901 . . . . 0.0 109.643 -179.809 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 84' ' ' CYS . . . . . . . . . . . . . 60.0 m -65.74 102.97 0.81 Allowed 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.266 -0.896 . . . . 0.0 109.233 -179.794 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 85' ' ' HIS . . . . . . . . . . . . . 14.6 t-160 -100.0 -121.24 0.15 Allowed 'General case' 0 N--CA 1.497 1.922 0 O-C-N 121.269 -0.894 . . . . 0.0 109.742 -179.715 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 91.1 mt-10 -88.59 33.5 0.76 Allowed 'General case' 0 N--CA 1.495 1.804 0 O-C-N 121.302 -0.874 . . . . 0.0 109.021 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 87' ' ' PHE . . . . . . . . . . . . . 30.7 t80 -60.01 -46.23 90.15 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.408 -0.808 . . . . 0.0 109.865 -178.788 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 88' ' ' PHE . . . . . 0.431 ' O ' ' O ' ' B' ' 89' ' ' GLU . 11.2 p90 -143.36 17.53 1.88 Allowed 'General case' 0 N--CA 1.5 2.069 0 O-C-N 121.005 -1.06 . . . . 0.0 109.654 179.793 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 89' ' ' GLU . . . . . 0.431 ' O ' ' O ' ' B' ' 88' ' ' PHE . 98.5 mt-10 -60.96 -145.55 0.0 OUTLIER 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.433 -0.792 . . . . 0.0 109.471 -179.854 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 90' ' ' HIS . . . . . . . . . . . . . 1.2 t-80 58.2 40.02 25.28 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 120.993 -1.067 . . . . 0.0 109.305 -179.662 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 87.3 tt0 . . . . . 0 N--CA 1.491 1.598 0 CA-C-O 118.008 -0.996 . . . . 0.0 109.28 179.982 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 92' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 93' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' B' B ' 92' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' B' B ' 93' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 36.6 ttp . . . . . 0 N--CA 1.49 1.555 0 N-CA-C 109.388 -0.597 . . . . 0.0 109.388 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 47.5 t -127.99 164.58 22.04 Favored 'General case' 0 N--CA 1.499 1.979 0 O-C-N 121.564 -0.71 . . . . 0.0 109.186 -179.924 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . 0.416 ' H ' ' CD ' ' A' ' 2' ' ' GLU . 58.5 mp0 -59.99 -40.1 88.01 Favored 'General case' 0 C--N 1.303 -1.454 0 O-C-N 121.462 -0.774 . . . . 0.0 109.305 -179.832 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.407 HD11 ' OE1' ' B' ' 39' ' ' GLU . 1.0 OUTLIER -61.65 -32.67 72.85 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.346 -0.846 . . . . 0.0 110.337 -179.48 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -60.11 -40.38 89.5 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 120.794 -1.191 . . . . 0.0 108.685 -179.789 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 26.1 mttp -70.0 -26.65 64.17 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.239 -0.913 . . . . 0.0 109.705 179.216 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -60.03 -43.62 95.17 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.166 -0.958 . . . . 0.0 109.663 -179.387 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 66.4 mtt -60.0 -40.02 87.76 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 120.746 -1.221 . . . . 0.0 108.853 179.322 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 77.2 t -69.98 -39.84 77.91 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.588 0 O-C-N 121.46 -0.775 . . . . 0.0 109.885 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.32 -46.53 88.35 Favored 'General case' 0 N--CA 1.494 1.761 0 O-C-N 121.18 -0.95 . . . . 0.0 110.479 -178.456 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -60.01 -40.64 89.96 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 120.768 -1.207 . . . . 0.0 108.78 179.674 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 86.8 mt -69.56 -41.92 80.52 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.67 0 O-C-N 121.084 -1.01 . . . . 0.0 109.61 179.573 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 11.5 t0 -64.28 -47.06 80.99 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.268 -0.895 . . . . 0.0 109.639 -179.772 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 53.4 t -63.74 -41.51 92.83 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.479 0 O-C-N 121.25 -0.906 . . . . 0.0 108.914 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 59.3 t80 -59.97 -50.03 75.35 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.413 -0.805 . . . . 0.0 109.481 179.706 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 82.9 t60 -70.26 -44.27 68.81 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.63 -0.669 . . . . 0.0 111.322 -179.247 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 30.1 tt0 -60.01 -48.51 81.4 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 120.975 -1.078 . . . . 0.0 110.467 -178.625 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 4.4 m-85 -70.02 -36.21 74.91 Favored 'General case' 0 N--CA 1.494 1.755 0 O-C-N 121.149 -0.97 . . . . 0.0 110.47 -179.589 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 19.0 t -59.79 -39.98 86.79 Favored 'General case' 0 C--N 1.301 -1.531 0 O-C-N 120.729 -1.232 . . . . 0.0 109.908 -178.679 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -81.74 -7.27 88.28 Favored Glycine 0 N--CA 1.493 2.451 0 C-N-CA 120.107 -1.044 . . . . 0.0 111.149 -179.664 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.593 ' HE ' ' C ' ' A' ' 20' ' ' ARG . 0.0 OUTLIER -70.03 -29.31 66.32 Favored 'General case' 0 N--CA 1.496 1.869 0 O-C-N 120.654 -1.498 . . . . 0.0 110.709 -178.774 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 86.4 tt0 -108.27 -87.75 0.49 Allowed 'General case' 0 N--CA 1.5 2.037 0 O-C-N 121.193 -0.942 . . . . 0.0 110.144 -179.177 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -93.09 -154.78 31.46 Favored Glycine 0 N--CA 1.495 2.573 0 N-CA-C 109.831 -1.308 . . . . 0.0 109.831 -179.585 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . 0.531 ' OD1' ' CE1' ' A' ' 25' ' ' HIS . 34.6 p-10 -74.25 165.29 25.43 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.327 -1.102 . . . . 0.0 109.139 179.933 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . 0.462 ' CD ' ' H ' ' A' ' 24' ' ' LYS . 0.0 OUTLIER -84.96 105.4 15.7 Favored 'General case' 0 N--CA 1.496 1.832 0 O-C-N 121.076 -1.015 . . . . 0.0 109.75 -178.903 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . 0.566 ' CG ' ' N ' ' A' ' 26' ' ' LYS . 8.0 p-80 -169.64 -48.56 0.02 OUTLIER 'General case' 0 N--CA 1.494 1.732 0 O-C-N 121.095 -1.003 . . . . 0.0 109.697 179.208 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.566 ' N ' ' CG ' ' A' ' 25' ' ' HIS . 47.8 mtpt -141.54 157.24 45.38 Favored 'General case' 0 N--CA 1.499 1.982 0 O-C-N 121.421 -0.799 . . . . 0.0 108.87 179.521 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -107.57 139.0 42.77 Favored 'General case' 0 N--CA 1.5 2.031 0 O-C-N 121.354 -0.842 . . . . 0.0 109.034 179.741 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 44.0 mmtm -89.36 169.06 11.73 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.517 -0.74 . . . . 0.0 109.055 -179.874 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 61.0 pttt -60.04 -31.21 69.75 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.192 -0.943 . . . . 0.0 109.666 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 88.6 p -60.03 -39.84 87.28 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.238 -0.914 . . . . 0.0 109.784 -179.825 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 -67.6 -31.52 71.62 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.1 -1.0 . . . . 0.0 110.02 -179.536 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -60.1 -43.8 95.3 Favored 'General case' 0 N--CA 1.497 1.882 0 O-C-N 121.195 -0.941 . . . . 0.0 109.135 -179.545 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 61.0 tttp -59.97 -45.3 93.12 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.282 -0.886 . . . . 0.0 110.202 -179.574 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -69.28 -38.47 78.38 Favored 'General case' 0 N--CA 1.494 1.748 0 O-C-N 121.128 -0.983 . . . . 0.0 110.192 179.762 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 28.4 tp -59.97 -41.02 91.05 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.312 -0.867 . . . . 0.0 109.904 -178.603 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 96.6 mt -67.22 -41.12 86.37 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.72 0 O-C-N 121.005 -1.059 . . . . 0.0 110.539 -179.302 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 59.7 t30 -68.05 -35.13 77.73 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.16 -0.963 . . . . 0.0 110.125 -179.493 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 16.3 t-20 -59.94 -45.07 93.8 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.227 -0.921 . . . . 0.0 111.07 -178.459 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . 0.464 ' OE1' HD11 ' B' ' 3' ' ' LEU . 2.3 pt-20 -108.73 -93.31 0.42 Allowed 'General case' 0 N--CA 1.504 2.244 0 O-C-N 121.062 -1.024 . . . . 0.0 111.077 -178.675 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 70.6 mt -50.37 94.89 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.369 -0.832 . . . . 0.0 111.155 -178.195 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 94.2 p -109.9 -58.84 2.0 Favored 'General case' 0 N--CA 1.496 1.83 0 N-CA-C 108.076 -1.083 . . . . 0.0 108.076 178.047 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 86.0 t60 -68.05 -40.09 82.9 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.565 -0.709 . . . . 0.0 110.263 179.439 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . 0.567 ' C ' HD22 ' A' ' 44' ' ' LEU . 47.1 m-85 -59.91 -40.07 87.55 Favored 'General case' 0 N--CA 1.494 1.742 0 O-C-N 121.139 -0.976 . . . . 0.0 110.364 -178.836 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.567 HD22 ' C ' ' A' ' 43' ' ' PHE . 3.9 mm? -115.97 109.81 18.08 Favored 'General case' 0 N--CA 1.503 2.185 0 O-C-N 121.26 -0.9 . . . . 0.0 108.864 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.453 ' CD ' ' H ' ' A' ' 45' ' ' GLU . 3.5 pm0 -119.94 -5.97 10.06 Favored 'General case' 0 N--CA 1.499 2.016 0 O-C-N 121.458 -0.776 . . . . 0.0 109.573 179.197 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.411 ' OE1' ' N ' ' A' ' 46' ' ' GLU . 32.9 mp0 -84.0 -9.88 58.32 Favored 'General case' 0 N--CA 1.495 1.784 0 O-C-N 121.157 -0.965 . . . . 0.0 110.085 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 99.5 mt -79.49 91.83 1.58 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.615 0 O-C-N 120.767 -1.208 . . . . 0.0 109.746 -179.414 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 97.4 mttt -124.75 -29.55 3.4 Favored 'General case' 0 N--CA 1.496 1.852 0 N-CA-C 107.961 -1.125 . . . . 0.0 107.961 178.483 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 68.2 mm-40 -104.84 137.32 42.8 Favored 'General case' 0 N--CA 1.493 1.68 0 N-CA-C 108.635 -0.876 . . . . 0.0 108.635 179.462 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 4.5 pp0? -61.27 -21.33 63.82 Favored 'General case' 0 C--N 1.301 -1.543 0 O-C-N 121.171 -0.956 . . . . 0.0 109.703 -179.882 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 89.1 tt0 -60.02 -41.49 92.27 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.248 -0.908 . . . . 0.0 110.134 -178.617 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 55.1 t -60.04 -41.77 87.49 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.572 0 O-C-N 120.928 -1.108 . . . . 0.0 109.369 179.846 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 63.4 t -60.47 -42.88 92.82 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.45 0 O-C-N 121.17 -0.956 . . . . 0.0 109.581 -179.855 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 98.6 m-20 -62.73 -41.84 99.36 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.055 -1.028 . . . . 0.0 109.915 -179.907 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 61.3 tttm -66.63 -44.64 81.46 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.119 -0.988 . . . . 0.0 109.286 179.752 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 55.1 t -70.03 -40.95 79.1 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.583 0 O-C-N 121.582 -0.699 . . . . 0.0 110.052 179.871 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 23.1 ttt -60.33 -42.36 95.49 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.305 -0.872 . . . . 0.0 110.784 -179.111 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -69.6 -39.95 76.95 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.114 -0.991 . . . . 0.0 110.677 -179.051 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 93.7 m -63.28 -41.58 99.02 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.202 -0.936 . . . . 0.0 110.713 -179.525 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.559 HD13 ' O ' ' A' ' 60' ' ' LEU . 0.2 OUTLIER -71.87 -39.98 69.27 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.215 -0.928 . . . . 0.0 110.987 -178.47 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 93.6 m-20 -71.84 119.15 15.6 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 120.714 -1.241 . . . . 0.0 109.628 -178.952 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 66.6 mm-40 -70.03 -39.97 75.47 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.344 -0.848 . . . . 0.0 110.119 -179.852 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 29.9 p-10 -90.35 -8.04 51.75 Favored 'General case' 0 N--CA 1.494 1.768 0 O-C-N 121.117 -0.989 . . . . 0.0 110.566 -178.838 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 44.34 51.85 7.47 Favored Glycine 0 N--CA 1.495 2.627 0 N-CA-C 110.129 -1.188 . . . . 0.0 110.129 179.434 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . 0.4 ' N ' ' OD1' ' A' ' 65' ' ' ASP . 28.6 p-10 -88.98 -1.84 58.3 Favored 'General case' 0 N--CA 1.495 1.797 0 O-C-N 121.162 -1.199 . . . . 0.0 110.06 -179.592 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 80.91 -3.64 74.7 Favored Glycine 0 N--CA 1.493 2.483 0 N-CA-C 110.042 -1.223 . . . . 0.0 110.042 179.54 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 80.0 mm-40 -121.77 150.17 42.24 Favored 'General case' 0 N--CA 1.501 2.091 0 O-C-N 121.514 -0.992 . . . . 0.0 108.886 179.83 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 3.3 m -101.02 111.82 24.12 Favored 'General case' 0 N--CA 1.496 1.869 0 O-C-N 121.392 -0.817 . . . . 0.0 109.474 179.938 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 64.0 m-20 -89.05 164.34 15.1 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.547 -0.721 . . . . 0.0 109.155 179.781 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 58.8 t80 -59.95 -40.31 88.56 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.122 -0.986 . . . . 0.0 109.127 -179.611 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 46.2 mt-30 -60.14 -40.04 88.41 Favored 'General case' 0 N--CA 1.488 1.434 0 O-C-N 121.37 -0.831 . . . . 0.0 108.949 179.72 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 95.9 mt-10 -69.87 -36.75 75.73 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.382 -0.824 . . . . 0.0 109.446 179.614 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 57.7 t80 -59.95 -48.64 80.87 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.428 -0.795 . . . . 0.0 109.292 -179.457 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' MET . . . . . 0.519 ' SD ' ' O ' ' A' ' 74' ' ' MET . 0.0 OUTLIER -60.13 -40.17 88.82 Favored 'General case' 0 C--N 1.301 -1.536 0 N-CA-C 108.576 -0.898 . . . . 0.0 108.576 179.581 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -60.79 -36.99 80.41 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.486 -0.759 . . . . 0.0 110.49 179.928 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 36.7 t80 -60.02 -44.95 94.26 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.144 -0.972 . . . . 0.0 109.574 -178.715 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 71.9 t -65.61 -40.23 87.38 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.478 0 O-C-N 121.15 -0.969 . . . . 0.0 109.662 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 30.4 t -63.3 -40.37 97.17 Favored 'General case' 0 N--CA 1.494 1.76 0 O-C-N 121.34 -0.85 . . . . 0.0 110.832 -179.161 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 13.8 tpt -60.03 -43.84 95.04 Favored 'General case' 0 N--CA 1.494 1.739 0 O-C-N 120.908 -1.12 . . . . 0.0 109.839 -179.079 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 55.3 t -65.01 -49.0 81.73 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.666 0 O-C-N 120.901 -1.125 . . . . 0.0 109.601 179.894 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 2.8 m -70.49 -39.63 74.06 Favored 'General case' 0 N--CA 1.489 1.475 0 O-C-N 121.308 -0.87 . . . . 0.0 110.139 -179.279 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 94.2 m -60.01 -41.01 91.22 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.055 -1.028 . . . . 0.0 110.454 -178.894 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -70.39 -40.04 74.18 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.045 -1.034 . . . . 0.0 110.495 -179.6 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 74.9 m -80.2 134.38 36.12 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.155 -0.966 . . . . 0.0 111.234 -178.194 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 2.2 m-70 -82.94 -145.96 0.07 Allowed 'General case' 0 N--CA 1.489 1.511 0 N-CA-C 107.428 -1.323 . . . . 0.0 107.428 178.281 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . 0.445 ' H ' ' CD ' ' A' ' 86' ' ' GLU . 40.5 mp0 -59.9 -40.09 87.62 Favored 'General case' 0 C--N 1.301 -1.539 0 N-CA-C 106.989 -1.486 . . . . 0.0 106.989 178.26 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 40.1 t80 43.56 66.66 0.77 Allowed 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.637 -0.664 . . . . 0.0 110.698 178.127 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . 0.523 ' CG ' ' O ' ' A' ' 88' ' ' PHE . 1.9 p90 -149.16 117.02 6.27 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.155 -0.966 . . . . 0.0 109.349 179.259 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -83.17 -130.78 0.03 OUTLIER 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.314 -0.867 . . . . 0.0 109.311 -179.738 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' HIS . . . . . 0.428 ' O ' ' O ' ' A' ' 91' ' ' GLU . 87.2 m-70 49.45 90.73 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.602 0 O-C-N 120.99 -1.069 . . . . 0.0 109.386 -179.849 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . 0.428 ' O ' ' O ' ' A' ' 90' ' ' HIS . 45.9 tp10 . . . . . 0 N--CA 1.493 1.704 0 CA-C-O 118.087 -0.959 . . . . 0.0 109.578 -179.711 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 0' ' ' MET . . . . . . . . . . . . . 35.5 ttp . . . . . 0 N--CA 1.489 1.491 0 N-CA-C 109.45 -0.574 . . . . 0.0 109.45 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 48.2 t -127.91 164.73 21.64 Favored 'General case' 0 N--CA 1.496 1.871 0 O-C-N 121.491 -0.756 . . . . 0.0 109.255 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 2' ' ' GLU . . . . . 0.444 ' H ' ' CD ' ' B' ' 2' ' ' GLU . 58.4 mp0 -59.96 -39.97 87.45 Favored 'General case' 0 C--N 1.302 -1.46 0 O-C-N 121.402 -0.811 . . . . 0.0 109.343 -179.867 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 3' ' ' LEU . . . . . 0.464 HD11 ' OE1' ' A' ' 39' ' ' GLU . 1.0 OUTLIER -62.26 -32.23 72.9 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.296 -0.877 . . . . 0.0 110.222 -179.488 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -60.01 -40.31 88.83 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 120.384 -1.447 . . . . 0.0 108.628 -179.94 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 21.5 mttp -70.06 -27.1 64.35 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.289 -0.882 . . . . 0.0 109.737 179.417 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -60.04 -42.91 95.47 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.098 -1.001 . . . . 0.0 109.758 -179.332 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 7' ' ' MET . . . . . . . . . . . . . 66.7 mtt -60.17 -39.97 88.3 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 120.773 -1.205 . . . . 0.0 108.684 179.42 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 73.8 t -69.94 -39.87 78.03 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.666 0 O-C-N 121.453 -0.779 . . . . 0.0 109.792 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.17 -46.96 87.01 Favored 'General case' 0 N--CA 1.494 1.749 0 O-C-N 121.224 -0.923 . . . . 0.0 110.529 -178.338 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -59.95 -40.13 87.97 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 120.763 -1.211 . . . . 0.0 108.764 179.802 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 88.4 mt -69.97 -41.95 79.5 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.634 0 O-C-N 121.171 -0.956 . . . . 0.0 109.402 179.727 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 11.3 t0 -64.39 -47.03 80.78 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 121.247 -0.908 . . . . 0.0 109.656 -179.751 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 54.4 t -63.84 -41.3 92.11 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.471 0 O-C-N 121.267 -0.895 . . . . 0.0 109.021 179.91 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 14' ' ' PHE . . . . . . . . . . . . . 58.2 t80 -60.04 -49.95 75.65 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.393 -0.817 . . . . 0.0 109.505 179.549 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 82.6 t60 -70.37 -44.15 68.66 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.584 -0.697 . . . . 0.0 111.262 -179.201 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 30.3 tt0 -60.06 -48.68 80.7 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 120.939 -1.1 . . . . 0.0 110.379 -178.648 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 4.3 m-85 -69.93 -36.23 75.16 Favored 'General case' 0 N--CA 1.495 1.776 0 O-C-N 121.088 -1.007 . . . . 0.0 110.522 -179.621 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 20.0 t -59.66 -40.13 86.74 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 120.718 -1.239 . . . . 0.0 109.892 -178.696 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -81.89 -6.99 88.51 Favored Glycine 0 N--CA 1.492 2.427 0 C-N-CA 120.088 -1.053 . . . . 0.0 111.202 -179.493 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 20' ' ' ARG . . . . . 0.593 ' C ' ' HE ' ' B' ' 20' ' ' ARG . 0.0 OUTLIER -70.09 -29.38 66.34 Favored 'General case' 0 N--CA 1.495 1.811 0 O-C-N 120.611 -1.523 . . . . 0.0 110.721 -178.808 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 86.4 tt0 -108.47 -87.67 0.49 Allowed 'General case' 0 N--CA 1.499 2.014 0 O-C-N 121.233 -0.917 . . . . 0.0 110.134 -179.174 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . -92.95 -154.61 31.3 Favored Glycine 0 N--CA 1.496 2.679 0 N-CA-C 109.868 -1.293 . . . . 0.0 109.868 -179.549 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 23' ' ' ASP . . . . . 0.533 ' OD1' ' CE1' ' B' ' 25' ' ' HIS . 34.5 p-10 -74.76 165.14 25.72 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.282 -1.128 . . . . 0.0 109.101 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 24' ' ' LYS . . . . . 0.49 ' CD ' ' H ' ' B' ' 24' ' ' LYS . 0.0 OUTLIER -84.5 105.47 15.34 Favored 'General case' 0 N--CA 1.497 1.924 0 O-C-N 121.103 -0.998 . . . . 0.0 109.697 -178.861 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' B' B ' 25' ' ' HIS . . . . . 0.566 ' CG ' ' N ' ' B' ' 26' ' ' LYS . 7.9 p-80 -169.85 -48.42 0.02 OUTLIER 'General case' 0 N--CA 1.494 1.729 0 O-C-N 121.107 -0.995 . . . . 0.0 109.781 179.215 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 26' ' ' LYS . . . . . 0.566 ' N ' ' CG ' ' B' ' 25' ' ' HIS . 47.1 mtpt -141.67 157.62 44.84 Favored 'General case' 0 N--CA 1.497 1.914 0 O-C-N 121.373 -0.829 . . . . 0.0 108.792 179.517 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -108.19 138.96 43.57 Favored 'General case' 0 N--CA 1.5 2.027 0 O-C-N 121.299 -0.876 . . . . 0.0 108.943 179.761 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 44.2 mmtm -89.33 169.18 11.64 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.485 -0.76 . . . . 0.0 109.027 -179.701 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 61.7 pttt -60.02 -31.3 69.82 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.305 -0.872 . . . . 0.0 109.662 179.935 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 88.3 p -60.03 -39.73 86.9 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.229 -0.919 . . . . 0.0 109.841 -179.902 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 -67.7 -31.48 71.46 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.089 -1.007 . . . . 0.0 109.902 -179.59 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -60.0 -44.09 94.78 Favored 'General case' 0 N--CA 1.495 1.802 0 O-C-N 121.108 -0.995 . . . . 0.0 109.197 -179.558 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 58.5 tttp -60.0 -44.84 94.28 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.317 -0.864 . . . . 0.0 110.195 -179.481 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -69.45 -38.38 77.76 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 121.095 -1.003 . . . . 0.0 110.209 179.731 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 30.1 tp -59.94 -41.13 91.14 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.188 -0.945 . . . . 0.0 110.005 -178.696 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 96.9 mt -67.12 -41.23 86.75 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.786 0 O-C-N 120.986 -1.071 . . . . 0.0 110.566 -179.198 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 59.0 t30 -68.12 -34.99 77.41 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.069 -1.019 . . . . 0.0 110.138 -179.449 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 16.4 t-20 -59.99 -45.03 94.06 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.242 -0.911 . . . . 0.0 111.145 -178.557 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 39' ' ' GLU . . . . . 0.407 ' OE1' HD11 ' A' ' 3' ' ' LEU . 2.2 pt-20 -108.76 -92.85 0.42 Allowed 'General case' 0 N--CA 1.505 2.278 0 O-C-N 121.096 -1.003 . . . . 0.0 110.971 -178.591 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 70.7 mt -50.93 94.82 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.371 -0.831 . . . . 0.0 111.273 -178.122 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 90.5 p -109.77 -59.07 1.97 Allowed 'General case' 0 N--CA 1.496 1.854 0 N-CA-C 108.098 -1.075 . . . . 0.0 108.098 178.134 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 42' ' ' HIS . . . . . . . . . . . . . 86.0 t60 -67.93 -39.92 83.41 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.589 -0.694 . . . . 0.0 110.232 179.495 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 43' ' ' PHE . . . . . 0.556 ' C ' HD22 ' B' ' 44' ' ' LEU . 47.3 m-85 -59.99 -40.06 87.87 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.17 -0.956 . . . . 0.0 110.377 -178.822 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 44' ' ' LEU . . . . . 0.556 HD22 ' C ' ' B' ' 43' ' ' PHE . 4.0 mm? -116.01 109.56 17.71 Favored 'General case' 0 N--CA 1.502 2.129 0 O-C-N 121.312 -0.868 . . . . 0.0 108.964 -179.888 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 45' ' ' GLU . . . . . 0.44 ' CD ' ' H ' ' B' ' 45' ' ' GLU . 3.6 pm0 -119.83 -5.91 10.11 Favored 'General case' 0 N--CA 1.501 2.091 0 O-C-N 121.421 -0.8 . . . . 0.0 109.651 179.312 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 46' ' ' GLU . . . . . 0.406 ' N ' ' OE1' ' B' ' 46' ' ' GLU . 33.3 mp0 -84.24 -9.24 58.68 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 121.221 -0.925 . . . . 0.0 109.977 179.936 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 99.2 mt -80.05 91.45 1.68 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.623 0 O-C-N 120.846 -1.159 . . . . 0.0 109.854 -179.497 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 97.9 mttt -124.46 -29.31 3.51 Favored 'General case' 0 N--CA 1.496 1.848 0 N-CA-C 107.959 -1.126 . . . . 0.0 107.959 178.586 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 67.8 mm-40 -105.12 137.19 43.26 Favored 'General case' 0 N--CA 1.493 1.696 0 N-CA-C 108.737 -0.838 . . . . 0.0 108.737 179.459 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 4.5 pp0? -61.3 -21.21 63.75 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.237 -0.914 . . . . 0.0 109.757 -179.818 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 89.0 tt0 -59.89 -41.82 92.45 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.311 -0.868 . . . . 0.0 110.171 -178.83 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 54.5 t -60.02 -41.45 86.29 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.587 0 O-C-N 120.943 -1.098 . . . . 0.0 109.342 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 53.1 t -60.99 -42.39 92.8 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.459 0 O-C-N 121.307 -0.871 . . . . 0.0 109.676 -179.79 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 98.5 m-20 -62.98 -41.92 99.69 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.027 -1.046 . . . . 0.0 109.783 -179.941 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 61.0 tttm -66.44 -44.67 82.2 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.234 -0.916 . . . . 0.0 109.224 179.707 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 54.5 t -70.04 -40.72 78.81 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.527 0 O-C-N 121.522 -0.736 . . . . 0.0 109.831 -179.909 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 57' ' ' MET . . . . . . . . . . . . . 22.7 ttt -60.68 -42.63 97.5 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.308 -0.87 . . . . 0.0 110.821 -178.924 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -69.22 -39.99 78.22 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.223 -0.923 . . . . 0.0 110.589 -178.859 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 94.5 m -63.19 -41.89 99.26 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 121.037 -1.039 . . . . 0.0 110.538 -179.517 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 60' ' ' LEU . . . . . 0.55 HD13 ' O ' ' B' ' 60' ' ' LEU . 0.2 OUTLIER -71.63 -39.96 70.07 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.275 -0.891 . . . . 0.0 111.037 -178.407 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 94.1 m-20 -71.97 119.14 15.73 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 120.774 -1.204 . . . . 0.0 109.711 -178.927 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 66.2 mm-40 -69.94 -40.05 75.71 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.386 -0.821 . . . . 0.0 110.144 -179.888 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 63' ' ' ASP . . . . . 0.404 ' N ' ' OD1' ' B' ' 63' ' ' ASP . 30.0 p-10 -90.28 -7.94 52.16 Favored 'General case' 0 N--CA 1.495 1.775 0 O-C-N 121.191 -0.943 . . . . 0.0 110.63 -178.813 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 44.44 51.58 7.7 Favored Glycine 0 N--CA 1.497 2.711 0 N-CA-C 110.085 -1.206 . . . . 0.0 110.085 179.458 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 65' ' ' ASP . . . . . 0.414 ' OD1' ' N ' ' B' ' 65' ' ' ASP . 29.1 p-10 -88.95 -1.91 58.33 Favored 'General case' 0 N--CA 1.495 1.815 0 O-C-N 121.17 -1.194 . . . . 0.0 110.016 -179.606 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 80.65 -2.87 77.18 Favored Glycine 0 N--CA 1.492 2.406 0 N-CA-C 110.03 -1.228 . . . . 0.0 110.03 179.372 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 79.7 mm-40 -122.28 150.02 42.9 Favored 'General case' 0 N--CA 1.499 1.976 0 O-C-N 121.478 -1.013 . . . . 0.0 108.791 179.716 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 68' ' ' CYS . . . . . . . . . . . . . 3.4 m -101.05 112.09 24.46 Favored 'General case' 0 N--CA 1.496 1.833 0 O-C-N 121.291 -0.88 . . . . 0.0 109.399 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 63.4 m-20 -89.2 164.49 14.96 Favored 'General case' 0 N--CA 1.493 1.686 0 N-CA-C 109.168 -0.679 . . . . 0.0 109.168 179.612 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 58.5 t80 -59.94 -40.48 89.08 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.23 -0.919 . . . . 0.0 109.089 -179.675 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 43.7 mt-30 -59.98 -40.02 87.72 Favored 'General case' 0 N--CA 1.488 1.449 0 O-C-N 121.395 -0.816 . . . . 0.0 108.95 179.862 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 96.0 mt-10 -69.92 -36.89 75.7 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.376 -0.828 . . . . 0.0 109.467 179.727 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 73' ' ' PHE . . . . . . . . . . . . . 60.7 t80 -59.9 -48.66 80.8 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.415 -0.803 . . . . 0.0 109.33 -179.39 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 74' ' ' MET . . . . . 0.504 ' SD ' ' O ' ' B' ' 74' ' ' MET . 0.0 OUTLIER -60.03 -40.01 87.89 Favored 'General case' 0 C--N 1.3 -1.547 0 N-CA-C 108.527 -0.916 . . . . 0.0 108.527 179.487 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -60.62 -37.21 80.68 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 121.52 -0.738 . . . . 0.0 110.389 179.883 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 36.9 t80 -60.05 -45.18 93.7 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.231 -0.918 . . . . 0.0 109.622 -178.611 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 77' ' ' VAL . . . . . . . . . . . . . 78.5 t -65.49 -39.99 86.84 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.509 0 O-C-N 121.257 -0.902 . . . . 0.0 109.633 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 78' ' ' SER . . . . . . . . . . . . . 29.5 t -63.61 -40.4 96.82 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.235 -0.916 . . . . 0.0 110.795 -179.083 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 79' ' ' MET . . . . . . . . . . . . . 13.6 tpt -60.0 -43.73 95.0 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 120.917 -1.115 . . . . 0.0 109.919 -179.101 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 54.8 t -64.98 -49.08 81.43 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.674 0 O-C-N 121.0 -1.062 . . . . 0.0 109.695 179.882 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 2.7 m -70.4 -39.65 74.36 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.353 -0.842 . . . . 0.0 110.118 -179.371 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 94.6 m -60.02 -41.45 92.21 Favored 'General case' 0 N--CA 1.494 1.745 0 O-C-N 121.116 -0.99 . . . . 0.0 110.093 -178.651 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -69.98 -40.04 75.6 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.101 -0.999 . . . . 0.0 110.65 -179.438 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 84' ' ' CYS . . . . . . . . . . . . . 77.6 m -80.09 134.37 36.18 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.123 -0.986 . . . . 0.0 111.324 -178.343 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 85' ' ' HIS . . . . . . . . . . . . . 2.2 m-70 -82.79 -145.97 0.07 Allowed 'General case' 0 N--CA 1.489 1.516 0 N-CA-C 107.479 -1.304 . . . . 0.0 107.479 178.274 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 86' ' ' GLU . . . . . 0.404 ' H ' ' CD ' ' B' ' 86' ' ' GLU . 40.5 mp0 -60.06 -39.97 87.87 Favored 'General case' 0 C--N 1.302 -1.483 0 N-CA-C 107.025 -1.472 . . . . 0.0 107.025 178.24 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 87' ' ' PHE . . . . . . . . . . . . . 41.7 t80 43.55 66.54 0.79 Allowed 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.667 -0.646 . . . . 0.0 110.652 178.101 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 88' ' ' PHE . . . . . 0.528 ' CG ' ' O ' ' B' ' 88' ' ' PHE . 2.0 p90 -148.93 116.93 6.33 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.032 -1.043 . . . . 0.0 109.395 179.359 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -82.85 -129.96 0.03 OUTLIER 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.335 -0.853 . . . . 0.0 109.429 -179.597 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 90' ' ' HIS . . . . . 0.442 ' O ' ' O ' ' B' ' 91' ' ' GLU . 87.4 m-70 48.22 91.46 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.038 -1.039 . . . . 0.0 109.474 -179.631 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 91' ' ' GLU . . . . . 0.442 ' O ' ' O ' ' B' ' 90' ' ' HIS . 45.9 tp10 . . . . . 0 N--CA 1.492 1.652 0 CA-C-O 118.12 -0.943 . . . . 0.0 109.677 -179.783 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 92' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 93' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' B' B ' 92' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' B' B ' 93' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 41.4 tpp . . . . . 0 N--CA 1.492 1.651 0 N-CA-C 108.962 -0.755 . . . . 0.0 108.962 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 3.8 t -82.14 103.89 12.08 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.101 -0.999 . . . . 0.0 109.608 -179.715 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 48.1 mt-10 -69.79 -39.01 76.87 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.403 -0.811 . . . . 0.0 109.537 179.797 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 51.7 tp -60.03 -47.21 86.79 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.372 -0.83 . . . . 0.0 109.584 -179.051 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 88.2 tt0 -60.01 -49.9 75.86 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.035 -1.04 . . . . 0.0 109.665 -179.686 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 37.6 ttpt -60.84 -42.83 98.54 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.27 -0.894 . . . . 0.0 109.937 179.537 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -64.07 -39.61 94.45 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.431 -0.793 . . . . 0.0 110.499 -179.326 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 12.7 ttm -59.99 -41.65 92.53 Favored 'General case' 0 N--CA 1.495 1.789 0 O-C-N 120.874 -1.141 . . . . 0.0 109.334 -179.305 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 96.4 t -67.93 -36.87 77.19 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.628 0 O-C-N 121.201 -0.937 . . . . 0.0 109.91 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -53.11 -41.7 65.27 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.125 -0.984 . . . . 0.0 110.196 -178.481 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.429 ' N ' HD12 ' A' ' 10' ' ' LEU . 11.1 mp -60.38 -42.53 96.05 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 120.815 -1.178 . . . . 0.0 108.859 179.405 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 36.5 mm -66.13 -44.06 91.9 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.678 0 O-C-N 121.196 -0.94 . . . . 0.0 109.55 179.614 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 7.1 t70 -60.42 -48.24 82.61 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.274 -0.892 . . . . 0.0 110.397 -179.762 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 95.4 t -69.31 -46.29 77.38 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.495 0 O-C-N 121.354 -0.841 . . . . 0.0 109.764 -179.103 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 62.2 t80 -60.07 -48.46 81.61 Favored 'General case' 0 C--N 1.299 -1.59 0 O-C-N 121.519 -0.738 . . . . 0.0 110.273 -179.381 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 52.1 t-80 -60.04 -41.79 93.03 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.252 -0.905 . . . . 0.0 111.145 -179.051 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 4.1 tp-100 -60.58 -53.55 56.09 Favored 'General case' 0 N--CA 1.495 1.814 0 O-C-N 120.944 -1.098 . . . . 0.0 110.514 -179.028 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 8.3 m-85 -71.93 -40.02 69.06 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.179 -0.95 . . . . 0.0 110.304 -179.528 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . 0.424 ' O ' ' O ' ' A' ' 23' ' ' ASP . 53.5 m -60.07 -41.51 92.58 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.005 -1.06 . . . . 0.0 109.92 -178.563 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -82.82 33.79 2.82 Favored Glycine 0 N--CA 1.492 2.393 0 N-CA-C 109.988 -1.245 . . . . 0.0 109.988 179.842 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.448 HH11 ' HG2' ' A' ' 20' ' ' ARG . 41.1 ttt-85 -59.77 -61.94 2.25 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 120.901 -1.353 . . . . 0.0 109.43 -179.123 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.524 ' O ' ' N ' ' A' ' 23' ' ' ASP . 85.9 tt0 -179.03 139.13 0.15 Allowed 'General case' 0 N--CA 1.497 1.903 0 N-CA-C 109.097 -0.705 . . . . 0.0 109.097 179.129 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 66.48 -51.15 0.2 Allowed Glycine 0 N--CA 1.494 2.535 0 N-CA-C 110.31 -1.116 . . . . 0.0 110.31 179.418 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . 0.524 ' N ' ' O ' ' A' ' 21' ' ' GLU . 11.7 p30 -89.1 115.67 26.8 Favored 'General case' 0 N--CA 1.497 1.901 0 O-C-N 121.119 -1.224 . . . . 0.0 109.349 -179.899 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 68.0 mttm -93.15 -80.1 0.39 Allowed 'General case' 0 N--CA 1.5 2.055 0 O-C-N 121.165 -0.959 . . . . 0.0 111.773 -178.581 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 89.1 m-70 -105.95 21.36 17.43 Favored 'General case' 0 N--CA 1.503 2.185 0 O-C-N 121.418 -0.801 . . . . 0.0 109.715 -179.031 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -133.01 153.89 51.05 Favored 'General case' 0 N--CA 1.493 1.714 0 N-CA-C 108.707 -0.849 . . . . 0.0 108.707 -179.868 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 59.1 mt -119.69 135.39 54.85 Favored 'General case' 0 N--CA 1.498 1.946 0 O-C-N 121.615 -0.678 . . . . 0.0 109.183 -179.225 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 32.5 mtmm -94.24 173.91 7.41 Favored 'General case' 0 N--CA 1.495 1.795 0 O-C-N 121.423 -0.798 . . . . 0.0 109.026 179.918 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -60.04 -40.14 88.34 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.031 -1.043 . . . . 0.0 109.399 -179.559 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 43.8 t -70.03 -45.95 66.09 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.078 -1.014 . . . . 0.0 109.538 179.645 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.441 ' OE2' ' OD2' ' A' ' 23' ' ' ASP . 4.0 tp10 -64.11 -39.95 95.16 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.329 -0.857 . . . . 0.0 109.661 179.838 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.689 HD13 ' C ' ' A' ' 32' ' ' LEU . 3.1 tm? -59.97 -49.07 79.12 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.324 -0.86 . . . . 0.0 109.778 -178.335 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 84.1 tttt -62.2 -40.66 96.83 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.089 -1.007 . . . . 0.0 109.975 -179.903 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 41.6 tt0 -62.64 -40.08 95.87 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.25 -0.907 . . . . 0.0 110.285 -179.439 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 7.0 tt -59.94 -48.18 82.74 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.133 -0.979 . . . . 0.0 109.9 -179.332 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.455 ' O ' ' O ' ' A' ' 39' ' ' GLU . 97.7 mt -65.77 -40.04 86.57 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.519 0 O-C-N 121.066 -1.021 . . . . 0.0 110.284 -179.86 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 4.6 m120 -60.08 -49.55 77.22 Favored 'General case' 0 C--N 1.302 -1.491 0 O-C-N 120.748 -1.22 . . . . 0.0 110.423 -178.403 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 19.8 t-20 -80.49 -40.29 26.42 Favored 'General case' 0 N--CA 1.495 1.785 0 O-C-N 120.916 -1.115 . . . . 0.0 110.777 -179.605 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . 0.455 ' O ' ' O ' ' A' ' 36' ' ' ILE . 98.3 mt-10 -108.37 158.18 17.74 Favored 'General case' 0 N--CA 1.501 2.125 0 O-C-N 121.296 -0.877 . . . . 0.0 110.225 -178.76 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 5.9 tp 60.93 11.4 3.28 Favored 'General case' 0 C--N 1.302 -1.496 0 N-CA-C 108.383 -0.969 . . . . 0.0 108.383 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . 0.439 ' O ' ' O ' ' A' ' 44' ' ' LEU . 51.7 p -70.02 -38.73 75.99 Favored 'General case' 0 N--CA 1.487 1.403 0 O-C-N 121.614 -0.679 . . . . 0.0 109.43 179.831 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 82.3 m-70 -68.64 -41.07 79.94 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.255 -0.903 . . . . 0.0 109.896 -179.479 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 2.1 t80 -71.91 -39.92 69.17 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.261 -0.9 . . . . 0.0 110.186 -179.044 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.439 ' O ' ' O ' ' A' ' 41' ' ' SER . 28.7 tp -122.06 147.74 45.73 Favored 'General case' 0 N--CA 1.503 2.219 0 O-C-N 121.306 -0.871 . . . . 0.0 109.513 -179.101 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -71.69 150.01 44.94 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.141 -0.975 . . . . 0.0 108.808 179.131 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 -67.06 147.55 53.03 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.059 -1.026 . . . . 0.0 109.91 -179.671 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 95.8 mt -93.45 130.13 42.9 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.806 0 O-C-N 121.498 -0.751 . . . . 0.0 109.577 -179.678 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 57.0 mtpt -100.18 -16.38 17.8 Favored 'General case' 0 N--CA 1.496 1.87 0 O-C-N 121.26 -0.9 . . . . 0.0 110.613 -179.003 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.433 ' OE1' ' N ' ' A' ' 49' ' ' GLU . 53.7 mp0 -110.16 130.22 55.58 Favored 'General case' 0 N--CA 1.505 2.292 0 O-C-N 121.258 -0.901 . . . . 0.0 110.428 -179.691 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 27.4 mt-30 -70.06 -26.98 64.27 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.62 -0.675 . . . . 0.0 109.814 179.124 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 88.4 tt0 -60.0 -40.07 87.93 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.335 -0.853 . . . . 0.0 109.827 -178.476 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 57.7 t -60.21 -43.34 93.04 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.595 0 O-C-N 121.017 -1.052 . . . . 0.0 108.96 179.388 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 76.9 t -61.0 -41.03 87.58 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.622 0 O-C-N 121.239 -0.913 . . . . 0.0 109.478 -179.864 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 7.1 t70 -59.99 -49.97 75.58 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.178 -0.951 . . . . 0.0 110.856 -179.444 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 9.1 mtmp? -61.45 -39.98 92.8 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 120.994 -1.066 . . . . 0.0 109.27 -179.226 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 55.4 t -62.19 -40.93 89.45 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.496 0 O-C-N 121.335 -0.853 . . . . 0.0 109.59 179.718 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 53.3 tpp -59.99 -43.03 95.42 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.186 -0.946 . . . . 0.0 109.773 -179.609 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 97.8 mt-10 -60.5 -40.48 91.51 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.202 -0.936 . . . . 0.0 110.371 -179.587 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 88.5 m -62.54 -42.53 99.59 Favored 'General case' 0 C--N 1.301 -1.543 0 O-C-N 121.365 -0.834 . . . . 0.0 109.854 -179.123 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.436 ' O ' ' N ' ' A' ' 62' ' ' GLU . 21.5 mt -82.2 -11.88 58.44 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 121.243 -0.911 . . . . 0.0 110.755 -179.604 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 99.9 m-20 -70.59 51.13 0.13 Allowed 'General case' 0 N--CA 1.493 1.683 0 O-C-N 120.88 -1.138 . . . . 0.0 109.612 -179.657 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . 0.436 ' N ' ' O ' ' A' ' 60' ' ' LEU . 76.3 mm-40 -61.65 -40.08 93.63 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.38 -0.825 . . . . 0.0 109.65 179.929 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 42.6 p-10 -82.53 -9.41 59.43 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 121.138 -0.976 . . . . 0.0 109.971 -179.47 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 65.08 31.04 79.51 Favored Glycine 0 N--CA 1.492 2.432 0 C-N-CA 119.893 -1.146 . . . . 0.0 110.266 179.252 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . 0.438 ' OD2' ' O ' ' A' ' 67' ' ' GLU . 31.8 p-10 -83.88 -9.69 58.55 Favored 'General case' 0 N--CA 1.495 1.776 0 O-C-N 120.961 -1.317 . . . . 0.0 109.949 -179.903 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 73.01 6.75 68.87 Favored Glycine 0 N--CA 1.493 2.439 0 N-CA-C 110.375 -1.09 . . . . 0.0 110.375 179.47 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.438 ' O ' ' OD2' ' A' ' 65' ' ' ASP . 16.0 pt-20 -148.12 159.97 43.38 Favored 'General case' 0 N--CA 1.496 1.861 0 O-C-N 121.007 -1.29 . . . . 0.0 109.73 -179.691 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 22.5 t -99.52 113.57 26.05 Favored 'General case' 0 N--CA 1.498 1.949 0 O-C-N 121.17 -0.956 . . . . 0.0 109.352 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 70.5 m-20 -97.52 -178.7 4.22 Favored 'General case' 0 N--CA 1.497 1.875 0 O-C-N 121.406 -0.809 . . . . 0.0 110.191 -179.518 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 58.5 t80 -59.99 -44.66 94.38 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.379 -0.825 . . . . 0.0 109.902 -179.737 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 12.6 pt20 -60.04 -47.13 87.13 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 120.879 -1.138 . . . . 0.0 108.455 179.456 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 78.0 tt0 -64.32 -36.84 85.42 Favored 'General case' 0 C--N 1.301 -1.502 0 O-C-N 121.538 -0.726 . . . . 0.0 109.291 178.851 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 64.4 t80 -59.97 -41.93 93.01 Favored 'General case' 0 N--CA 1.494 1.761 0 O-C-N 121.233 -0.917 . . . . 0.0 109.688 -179.72 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 11.0 tpt -60.03 -39.99 87.79 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.039 -1.038 . . . . 0.0 109.161 179.569 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -60.06 -36.04 76.47 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.555 -0.716 . . . . 0.0 109.601 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 13.5 t80 -59.95 -48.03 83.37 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.149 -0.97 . . . . 0.0 109.017 -179.19 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 86.5 t -65.1 -40.53 89.19 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.618 0 O-C-N 121.293 -0.88 . . . . 0.0 109.505 179.921 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . 0.447 ' O ' HG23 ' A' ' 82' ' ' THR . 77.3 p -60.76 -36.21 78.35 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.395 -0.816 . . . . 0.0 109.684 179.808 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 28.2 ttt -60.09 -40.09 88.41 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.318 -0.864 . . . . 0.0 109.84 -178.89 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 53.0 t -68.28 -40.14 82.13 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.556 0 O-C-N 121.096 -1.003 . . . . 0.0 109.032 179.869 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 76.0 p -69.94 -40.39 75.52 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.238 -0.914 . . . . 0.0 110.189 -179.887 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . 0.447 HG23 ' O ' ' A' ' 78' ' ' SER . 40.6 p -64.08 -39.67 94.57 Favored 'General case' 0 C--N 1.302 -1.461 0 O-C-N 121.109 -0.994 . . . . 0.0 109.152 179.854 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -68.39 -27.94 66.67 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.477 -0.764 . . . . 0.0 109.837 -179.93 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 51.4 t -46.74 107.85 0.12 Allowed 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.114 -0.991 . . . . 0.0 109.514 -179.875 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 7.1 t60 -138.96 114.28 9.62 Favored 'General case' 0 N--CA 1.496 1.857 0 O-C-N 121.32 -0.863 . . . . 0.0 108.899 179.906 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 21.8 tp10 65.33 22.4 12.04 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.491 -0.756 . . . . 0.0 109.358 -179.654 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' PHE . . . . . 0.428 ' O ' ' O ' ' A' ' 88' ' ' PHE . 2.7 m-85 -89.98 -81.41 0.29 Allowed 'General case' 0 N--CA 1.498 1.946 0 O-C-N 120.968 -1.083 . . . . 0.0 108.48 179.337 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . 0.428 ' O ' ' O ' ' A' ' 87' ' ' PHE . 95.3 m-85 38.2 93.35 0.01 OUTLIER 'General case' 0 N--CA 1.496 1.841 0 CA-C-O 121.221 0.534 . . . . 0.0 110.784 179.255 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -62.16 129.54 41.27 Favored 'General case' 0 N--CA 1.488 1.451 0 O-C-N 121.219 -0.926 . . . . 0.0 109.425 -179.805 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER 49.11 -130.95 1.85 Allowed 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.341 -0.849 . . . . 0.0 110.047 179.899 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 87.9 tt0 . . . . . 0 N--CA 1.496 1.864 0 CA-C-O 118.039 -0.982 . . . . 0.0 109.103 -179.786 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' B' B ' 0' ' ' MET . . . . . . . . . . . . . 45.0 tpp . . . . . 0 N--CA 1.491 1.62 0 N-CA-C 108.951 -0.759 . . . . 0.0 108.951 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 3.3 t -82.41 103.92 12.33 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.019 -1.051 . . . . 0.0 109.524 -179.778 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 48.4 mt-10 -69.89 -39.13 76.45 Favored 'General case' 0 N--CA 1.489 1.475 0 O-C-N 121.379 -0.826 . . . . 0.0 109.477 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 46.2 tp -60.0 -47.37 86.11 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.474 -0.766 . . . . 0.0 109.583 -179.123 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 88.2 tt0 -59.97 -49.85 76.06 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 120.954 -1.091 . . . . 0.0 109.704 -179.607 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 37.1 ttpt -60.84 -42.77 98.45 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.113 -0.992 . . . . 0.0 109.905 179.487 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -63.85 -39.86 95.21 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.398 -0.814 . . . . 0.0 110.506 -179.456 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 7' ' ' MET . . . . . . . . . . . . . 17.1 ttm -59.98 -41.57 92.28 Favored 'General case' 0 N--CA 1.494 1.768 0 O-C-N 120.768 -1.208 . . . . 0.0 109.398 -179.353 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 88.0 t -67.8 -37.73 79.0 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.512 0 O-C-N 121.26 -0.9 . . . . 0.0 109.864 -179.853 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -52.94 -40.65 63.81 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.179 -0.95 . . . . 0.0 110.255 -178.442 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 10' ' ' LEU . . . . . 0.435 HD12 ' N ' ' B' ' 10' ' ' LEU . 11.0 mp -61.28 -42.09 98.05 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 120.793 -1.192 . . . . 0.0 108.819 179.369 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 37.1 mm -66.54 -43.91 90.45 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.657 0 O-C-N 121.194 -0.941 . . . . 0.0 109.53 179.476 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 7.1 t70 -60.18 -48.5 81.45 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.365 -0.834 . . . . 0.0 110.357 -179.702 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 94.0 t -68.88 -46.58 78.93 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.518 0 O-C-N 121.387 -0.821 . . . . 0.0 109.866 -179.157 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 14' ' ' PHE . . . . . . . . . . . . . 60.2 t80 -59.97 -48.18 82.75 Favored 'General case' 0 C--N 1.301 -1.501 0 O-C-N 121.485 -0.759 . . . . 0.0 110.264 -179.468 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 53.3 t-80 -60.1 -42.14 94.03 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.228 -0.92 . . . . 0.0 111.15 -179.059 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 4.1 tp-100 -60.45 -53.4 58.0 Favored 'General case' 0 N--CA 1.496 1.835 0 O-C-N 120.99 -1.069 . . . . 0.0 110.49 -178.875 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 8.4 m-85 -71.95 -40.15 68.87 Favored 'General case' 0 N--CA 1.494 1.762 0 O-C-N 121.272 -0.893 . . . . 0.0 110.277 -179.462 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 18' ' ' SER . . . . . 0.425 ' O ' ' O ' ' B' ' 23' ' ' ASP . 55.6 m -59.91 -41.93 92.76 Favored 'General case' 0 C--N 1.3 -1.558 0 O-C-N 121.047 -1.033 . . . . 0.0 110.12 -178.762 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -82.63 33.88 2.77 Favored Glycine 0 N--CA 1.492 2.41 0 N-CA-C 109.902 -1.279 . . . . 0.0 109.902 179.793 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 20' ' ' ARG . . . . . 0.462 HH11 ' HG2' ' B' ' 20' ' ' ARG . 37.3 ttt-85 -59.67 -61.82 2.34 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 120.904 -1.351 . . . . 0.0 109.529 -179.193 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 21' ' ' GLU . . . . . 0.471 ' O ' ' N ' ' B' ' 23' ' ' ASP . 85.6 tt0 -179.26 139.19 0.14 Allowed 'General case' 0 N--CA 1.497 1.906 0 N-CA-C 109.029 -0.73 . . . . 0.0 109.029 179.257 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . 66.31 -51.25 0.19 Allowed Glycine 0 N--CA 1.493 2.473 0 N-CA-C 110.334 -1.106 . . . . 0.0 110.334 179.333 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 23' ' ' ASP . . . . . 0.506 ' N ' ' OD1' ' B' ' 23' ' ' ASP . 12.1 p30 -89.07 115.76 26.85 Favored 'General case' 0 N--CA 1.497 1.898 0 O-C-N 121.158 -1.201 . . . . 0.0 109.414 -179.799 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 68.0 mttm -92.91 -80.36 0.38 Allowed 'General case' 0 N--CA 1.5 2.054 0 O-C-N 121.248 -0.907 . . . . 0.0 111.986 -178.449 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 25' ' ' HIS . . . . . . . . . . . . . 88.3 m-70 -105.97 21.54 17.14 Favored 'General case' 0 N--CA 1.502 2.173 0 O-C-N 121.326 -0.859 . . . . 0.0 109.633 -179.012 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -133.6 153.45 51.65 Favored 'General case' 0 N--CA 1.493 1.678 0 N-CA-C 108.719 -0.845 . . . . 0.0 108.719 -179.672 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 53.7 mt -119.31 136.13 54.39 Favored 'General case' 0 N--CA 1.496 1.85 0 O-C-N 121.531 -0.73 . . . . 0.0 109.138 -179.175 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 31.5 mtmm -94.62 173.79 7.44 Favored 'General case' 0 N--CA 1.494 1.764 0 O-C-N 121.408 -0.807 . . . . 0.0 108.99 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -60.0 -39.99 87.67 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.035 -1.041 . . . . 0.0 109.506 -179.585 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 46.1 t -70.31 -45.35 66.44 Favored 'General case' 0 N--CA 1.488 1.465 0 O-C-N 121.054 -1.029 . . . . 0.0 109.511 179.663 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 31' ' ' GLU . . . . . 0.43 ' OE2' ' OD2' ' B' ' 23' ' ' ASP . 4.0 tp10 -64.73 -39.93 94.47 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.345 -0.847 . . . . 0.0 109.649 179.806 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 32' ' ' LEU . . . . . 0.696 ' C ' HD13 ' B' ' 32' ' ' LEU . 3.0 tm? -60.02 -49.5 77.43 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.228 -0.92 . . . . 0.0 109.398 -178.232 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 84.4 tttt -61.52 -40.91 96.32 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.092 -1.005 . . . . 0.0 110.051 -179.801 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 41.7 tt0 -62.6 -39.95 95.37 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.349 -0.845 . . . . 0.0 110.363 -179.441 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 6.7 tt -60.02 -48.21 82.65 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.178 -0.951 . . . . 0.0 109.905 -179.301 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 36' ' ' ILE . . . . . 0.456 ' O ' ' O ' ' B' ' 39' ' ' GLU . 96.6 mt -65.86 -40.05 86.45 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.583 0 O-C-N 121.038 -1.039 . . . . 0.0 110.188 -179.655 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 4.9 m120 -59.95 -49.62 76.96 Favored 'General case' 0 C--N 1.301 -1.502 0 O-C-N 120.86 -1.15 . . . . 0.0 110.434 -178.535 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 19.6 t-20 -80.42 -40.34 26.58 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 120.927 -1.108 . . . . 0.0 110.757 -179.601 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 39' ' ' GLU . . . . . 0.456 ' O ' ' O ' ' B' ' 36' ' ' ILE . 98.1 mt-10 -108.7 158.04 17.98 Favored 'General case' 0 N--CA 1.501 2.1 0 O-C-N 121.162 -0.961 . . . . 0.0 110.284 -178.704 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 6.0 tp 60.96 11.76 3.51 Favored 'General case' 0 C--N 1.302 -1.484 0 N-CA-C 108.329 -0.989 . . . . 0.0 108.329 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 41' ' ' SER . . . . . 0.443 ' O ' ' O ' ' B' ' 44' ' ' LEU . 53.4 p -70.23 -38.76 75.29 Favored 'General case' 0 N--CA 1.487 1.411 0 O-C-N 121.61 -0.681 . . . . 0.0 109.358 179.495 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 42' ' ' HIS . . . . . . . . . . . . . 79.0 m-70 -68.25 -41.56 80.96 Favored 'General case' 0 N--CA 1.488 1.441 0 O-C-N 121.209 -0.932 . . . . 0.0 109.852 -179.41 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 2.0 t80 -72.02 -39.99 68.79 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.348 -0.845 . . . . 0.0 110.354 -179.142 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 44' ' ' LEU . . . . . 0.443 ' O ' ' O ' ' B' ' 41' ' ' SER . 35.2 tp -121.35 147.71 45.33 Favored 'General case' 0 N--CA 1.506 2.332 0 O-C-N 121.37 -0.831 . . . . 0.0 109.528 -179.301 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -71.7 149.84 45.09 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.1 -1.0 . . . . 0.0 108.746 178.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -66.99 147.81 52.75 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 120.95 -1.094 . . . . 0.0 109.867 -179.56 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 92.9 mt -93.42 129.9 43.21 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.759 0 O-C-N 121.502 -0.749 . . . . 0.0 109.613 -179.594 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 57.4 mtpt -99.97 -16.49 17.93 Favored 'General case' 0 N--CA 1.496 1.862 0 O-C-N 121.356 -0.84 . . . . 0.0 110.707 -178.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 49' ' ' GLU . . . . . 0.435 ' OE1' ' N ' ' B' ' 49' ' ' GLU . 52.0 mp0 -110.06 130.19 55.57 Favored 'General case' 0 N--CA 1.503 2.206 0 O-C-N 121.281 -0.887 . . . . 0.0 110.438 -179.692 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 27.3 mt-30 -70.39 -26.74 63.85 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.654 -0.654 . . . . 0.0 109.609 179.3 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -59.94 -40.07 87.67 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.158 -0.964 . . . . 0.0 109.889 -178.525 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 58.7 t -60.3 -43.27 93.21 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.571 0 O-C-N 121.006 -1.058 . . . . 0.0 109.008 179.298 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 73.9 t -60.81 -41.05 87.11 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.581 0 O-C-N 121.239 -0.913 . . . . 0.0 109.4 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 7.4 t70 -59.98 -50.02 75.38 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.239 -0.913 . . . . 0.0 110.837 -179.293 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 9.0 mtmp? -61.53 -40.07 93.34 Favored 'General case' 0 C--N 1.303 -1.456 0 O-C-N 120.913 -1.117 . . . . 0.0 109.308 -179.126 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 55.5 t -62.35 -40.38 87.68 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.527 0 O-C-N 121.264 -0.898 . . . . 0.0 109.535 179.812 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 57' ' ' MET . . . . . . . . . . . . . 49.8 tpp -60.14 -43.43 95.72 Favored 'General case' 0 N--CA 1.494 1.749 0 O-C-N 121.236 -0.915 . . . . 0.0 109.708 -179.649 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -60.52 -40.46 91.52 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.094 -1.004 . . . . 0.0 110.27 -179.49 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 92.7 m -62.03 -42.71 99.46 Favored 'General case' 0 C--N 1.301 -1.503 0 O-C-N 121.364 -0.835 . . . . 0.0 109.796 -179.091 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 60' ' ' LEU . . . . . 0.465 ' O ' ' N ' ' B' ' 62' ' ' GLU . 30.8 mt -82.0 -12.31 58.39 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.254 -0.904 . . . . 0.0 110.739 -179.693 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 99.5 m-20 -70.51 51.65 0.13 Allowed 'General case' 0 N--CA 1.492 1.665 0 O-C-N 120.793 -1.192 . . . . 0.0 109.586 -179.46 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 62' ' ' GLU . . . . . 0.465 ' N ' ' O ' ' B' ' 60' ' ' LEU . 76.6 mm-40 -61.97 -40.02 94.16 Favored 'General case' 0 N--CA 1.487 1.422 0 O-C-N 121.299 -0.876 . . . . 0.0 109.543 179.908 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 41.9 p-10 -82.47 -9.26 59.5 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 121.029 -1.044 . . . . 0.0 110.049 -179.464 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 65.21 30.49 77.94 Favored Glycine 0 N--CA 1.492 2.421 0 C-N-CA 119.805 -1.188 . . . . 0.0 110.302 179.195 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 65' ' ' ASP . . . . . 0.434 ' OD2' ' O ' ' B' ' 67' ' ' GLU . 32.2 p-10 -83.6 -9.87 58.62 Favored 'General case' 0 N--CA 1.494 1.772 0 O-C-N 121.02 -1.282 . . . . 0.0 109.971 -179.87 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 73.02 6.84 69.17 Favored Glycine 0 N--CA 1.492 2.423 0 N-CA-C 110.184 -1.166 . . . . 0.0 110.184 179.395 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 67' ' ' GLU . . . . . 0.434 ' O ' ' OD2' ' B' ' 65' ' ' ASP . 16.2 pt-20 -148.27 160.25 43.15 Favored 'General case' 0 N--CA 1.495 1.814 0 O-C-N 120.879 -1.366 . . . . 0.0 109.728 -179.723 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 68' ' ' CYS . . . . . . . . . . . . . 34.4 t -99.57 113.82 26.46 Favored 'General case' 0 N--CA 1.499 2.019 0 O-C-N 121.239 -0.913 . . . . 0.0 109.387 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 70.6 m-20 -98.05 -178.05 3.94 Favored 'General case' 0 N--CA 1.499 1.994 0 O-C-N 121.267 -0.896 . . . . 0.0 109.998 -179.702 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 62.7 t80 -59.97 -45.2 93.44 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.488 -0.757 . . . . 0.0 109.988 -179.616 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 12.5 pt20 -59.98 -47.15 87.0 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 120.905 -1.122 . . . . 0.0 108.443 179.669 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 80.8 tt0 -64.59 -35.94 82.64 Favored 'General case' 0 C--N 1.301 -1.508 0 O-C-N 121.523 -0.736 . . . . 0.0 109.239 178.845 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 73' ' ' PHE . . . . . . . . . . . . . 65.0 t80 -59.92 -42.35 93.73 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 121.264 -0.898 . . . . 0.0 109.698 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 74' ' ' MET . . . . . . . . . . . . . 11.1 tpt -59.94 -40.15 87.99 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.155 -0.966 . . . . 0.0 109.182 179.765 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -60.09 -35.75 75.89 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.404 -0.81 . . . . 0.0 109.743 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 13.3 t80 -59.97 -47.94 83.74 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.22 -0.925 . . . . 0.0 108.908 -179.32 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 77' ' ' VAL . . . . . . . . . . . . . 96.0 t -65.06 -40.75 90.0 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.666 0 O-C-N 121.307 -0.87 . . . . 0.0 109.441 179.941 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 78' ' ' SER . . . . . 0.425 ' O ' HG23 ' B' ' 82' ' ' THR . 77.9 p -60.64 -36.17 78.01 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.505 -0.747 . . . . 0.0 109.728 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 79' ' ' MET . . . . . . . . . . . . . 28.2 ttt -60.05 -40.18 88.56 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.3 -0.875 . . . . 0.0 109.772 -178.782 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 54.5 t -68.41 -40.02 81.67 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.487 0 O-C-N 121.127 -0.983 . . . . 0.0 109.083 179.853 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 68.9 p -69.74 -40.68 76.03 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.271 -0.893 . . . . 0.0 110.098 -179.884 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 82' ' ' THR . . . . . 0.425 HG23 ' O ' ' B' ' 78' ' ' SER . 39.9 p -63.92 -39.65 94.65 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.155 -0.966 . . . . 0.0 109.261 179.864 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -68.52 -27.81 66.44 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.324 -0.86 . . . . 0.0 109.728 -179.812 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 84' ' ' CYS . . . . . . . . . . . . . 52.8 t -46.48 107.9 0.12 Allowed 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.277 -0.89 . . . . 0.0 109.485 -179.919 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 85' ' ' HIS . . . . . . . . . . . . . 7.1 t60 -139.41 113.99 9.18 Favored 'General case' 0 N--CA 1.496 1.848 0 O-C-N 121.272 -0.893 . . . . 0.0 108.897 179.896 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 21.5 tp10 65.61 22.27 11.7 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.556 -0.715 . . . . 0.0 109.345 -179.617 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 87' ' ' PHE . . . . . 0.42 ' O ' ' C ' ' B' ' 88' ' ' PHE . 2.6 m-85 -90.03 -80.72 0.31 Allowed 'General case' 0 N--CA 1.498 1.934 0 O-C-N 121.023 -1.048 . . . . 0.0 108.54 179.445 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 88' ' ' PHE . . . . . 0.42 ' C ' ' O ' ' B' ' 87' ' ' PHE . 94.9 m-85 37.45 93.1 0.01 OUTLIER 'General case' 0 N--CA 1.496 1.837 0 O-C-N 121.82 -0.55 . . . . 0.0 110.899 179.256 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -61.59 129.76 42.66 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.197 -0.94 . . . . 0.0 109.4 -179.804 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 90' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER 49.0 -130.61 1.86 Allowed 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.294 -0.879 . . . . 0.0 110.087 179.872 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 88.2 tt0 . . . . . 0 N--CA 1.497 1.878 0 CA-C-O 117.967 -1.016 . . . . 0.0 109.12 -179.867 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 92' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 93' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' B' B ' 92' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' B' B ' 93' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 14.9 mmt . . . . . 0 N--CA 1.487 1.397 0 CA-C-O 121.38 0.61 . . . . 0.0 109.568 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 22.6 t -145.21 150.72 37.21 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.415 -0.803 . . . . 0.0 109.488 -179.739 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 39.7 mt-10 -69.86 -28.9 66.04 Favored 'General case' 0 C--N 1.302 -1.49 0 O-C-N 121.575 -0.703 . . . . 0.0 109.977 179.173 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 66.2 tp -59.79 -49.79 76.35 Favored 'General case' 0 N--CA 1.496 1.835 0 O-C-N 121.315 -0.866 . . . . 0.0 109.199 -179.676 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 53.6 tp10 -62.06 -40.57 96.24 Favored 'General case' 0 C--N 1.295 -1.785 0 O-C-N 120.828 -1.17 . . . . 0.0 109.28 179.283 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 2.2 tpmt? -60.16 -42.69 95.48 Favored 'General case' 0 N--CA 1.488 1.449 0 O-C-N 121.203 -0.936 . . . . 0.0 109.916 -179.919 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -61.31 -37.81 84.58 Favored 'General case' 0 C--N 1.299 -1.602 0 O-C-N 121.091 -1.006 . . . . 0.0 109.234 179.797 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 56.6 ttm -60.83 -47.6 85.61 Favored 'General case' 0 N--CA 1.488 1.464 0 O-C-N 121.444 -0.785 . . . . 0.0 109.547 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 73.8 t -63.75 -42.8 97.17 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.857 0 O-C-N 121.433 -0.792 . . . . 0.0 109.916 -179.813 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -63.05 -39.97 96.32 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.536 -0.728 . . . . 0.0 109.617 -179.162 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 56.5 tp -59.98 -45.79 91.55 Favored 'General case' 0 C--N 1.302 -1.466 0 O-C-N 121.126 -0.984 . . . . 0.0 109.336 -179.496 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 96.4 mt -64.71 -40.98 90.93 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.906 0 O-C-N 121.256 -0.902 . . . . 0.0 110.209 -179.82 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 19.7 t0 -60.42 -44.16 96.03 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 121.282 -0.886 . . . . 0.0 110.585 -178.807 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 54.7 t -61.24 -47.62 92.66 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.489 0 O-C-N 121.066 -1.021 . . . . 0.0 109.714 -179.214 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 63.5 t80 -61.28 -49.87 75.29 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.001 -1.062 . . . . 0.0 109.38 -179.704 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . 0.448 ' O ' ' N ' ' A' ' 19' ' ' GLY . 86.7 t60 -62.98 -40.63 98.32 Favored 'General case' 0 N--CA 1.487 1.423 0 O-C-N 121.168 -0.958 . . . . 0.0 109.6 179.496 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 2.6 tp-100 -62.95 -51.83 65.37 Favored 'General case' 0 N--CA 1.493 1.718 0 O-C-N 121.234 -0.916 . . . . 0.0 110.514 -178.609 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 48.4 t80 -66.33 -48.68 69.49 Favored 'General case' 0 N--CA 1.488 1.426 0 O-C-N 120.822 -1.174 . . . . 0.0 109.528 -179.892 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . 0.424 ' O ' ' O ' ' A' ' 21' ' ' GLU . 91.7 p -67.32 -39.61 85.88 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.454 -0.779 . . . . 0.0 109.893 -179.939 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . 0.448 ' N ' ' O ' ' A' ' 15' ' ' HIS . . . -64.25 -48.52 73.76 Favored Glycine 0 N--CA 1.489 2.221 0 C-N-CA 119.746 -1.216 . . . . 0.0 111.16 -178.903 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -61.66 -41.92 98.2 Favored 'General case' 0 N--CA 1.497 1.879 0 O-C-N 120.947 -1.326 . . . . 0.0 110.376 -178.661 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.424 ' O ' ' O ' ' A' ' 18' ' ' SER . 96.1 mt-10 -103.95 130.67 51.59 Favored 'General case' 0 N--CA 1.504 2.245 0 O-C-N 121.038 -1.039 . . . . 0.0 110.103 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 80.36 -15.81 16.3 Favored Glycine 0 N--CA 1.49 2.296 0 N-CA-C 110.373 -1.091 . . . . 0.0 110.373 179.271 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 89.7 m-20 51.92 51.13 17.12 Favored 'General case' 0 N--CA 1.497 1.901 0 O-C-N 120.999 -1.295 . . . . 0.0 109.826 179.916 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . 0.412 ' HG3' ' H ' ' A' ' 25' ' ' HIS . 5.3 tptm -165.01 -173.95 3.12 Favored 'General case' 0 N--CA 1.495 1.778 0 O-C-N 120.976 -1.077 . . . . 0.0 109.186 -179.688 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . 0.412 ' H ' ' HG3' ' A' ' 24' ' ' LYS . 45.5 m80 -109.1 26.56 10.48 Favored 'General case' 0 N--CA 1.501 2.121 0 O-C-N 121.176 -0.952 . . . . 0.0 110.788 -178.582 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 22.1 pttp -130.08 154.14 47.75 Favored 'General case' 0 N--CA 1.501 2.08 0 O-C-N 121.099 -1.001 . . . . 0.0 108.881 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 38.3 mt -126.07 141.12 52.08 Favored 'General case' 0 N--CA 1.501 2.088 0 O-C-N 121.266 -0.896 . . . . 0.0 109.669 -179.071 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -96.41 -179.81 4.76 Favored 'General case' 0 N--CA 1.502 2.145 0 O-C-N 121.184 -0.947 . . . . 0.0 109.373 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 12.0 ttmm -60.15 -44.4 95.0 Favored 'General case' 0 N--CA 1.495 1.803 0 O-C-N 121.454 -0.779 . . . . 0.0 111.278 -178.558 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 73.3 m -60.05 -41.73 92.93 Favored 'General case' 0 N--CA 1.497 1.892 0 O-C-N 120.371 -1.456 . . . . 0.0 109.99 -179.085 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -70.5 -40.25 73.66 Favored 'General case' 0 N--CA 1.496 1.863 0 O-C-N 121.331 -0.856 . . . . 0.0 110.775 -179.568 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.64 HD13 ' C ' ' A' ' 32' ' ' LEU . 2.9 tm? -60.16 -41.1 92.07 Favored 'General case' 0 N--CA 1.495 1.824 0 O-C-N 121.228 -0.92 . . . . 0.0 109.691 -179.103 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 81.2 tttt -59.76 -42.41 93.22 Favored 'General case' 0 C--N 1.304 -1.38 0 O-C-N 120.231 -1.543 . . . . 0.0 108.291 178.397 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 79.4 mm-40 -65.98 -38.53 88.78 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.479 -0.763 . . . . 0.0 110.22 -179.553 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.517 HD13 ' O ' ' A' ' 35' ' ' LEU . 0.2 OUTLIER -57.89 -46.85 84.27 Favored 'General case' 0 N--CA 1.497 1.901 0 O-C-N 121.381 -0.825 . . . . 0.0 110.517 -178.597 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 96.6 mt -60.17 -49.48 83.94 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.88 0 O-C-N 120.641 -1.287 . . . . 0.0 109.67 -179.026 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 86.3 m-20 -73.92 -27.23 60.92 Favored 'General case' 0 N--CA 1.488 1.427 0 O-C-N 121.168 -0.958 . . . . 0.0 109.979 179.587 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 45.3 t30 -60.42 -48.24 82.6 Favored 'General case' 0 N--CA 1.497 1.897 0 O-C-N 120.916 -1.115 . . . . 0.0 111.809 -178.529 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 42.1 mt-10 -120.05 -27.8 5.26 Favored 'General case' 0 N--CA 1.505 2.304 0 O-C-N 121.134 -0.979 . . . . 0.0 111.475 -177.609 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 75.1 mt -103.81 52.57 0.76 Allowed 'General case' 0 N--CA 1.501 2.117 0 O-C-N 121.062 -1.024 . . . . 0.0 110.117 -178.462 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . 0.491 ' O ' ' O ' ' A' ' 44' ' ' LEU . 21.7 p -94.85 -54.63 3.4 Favored 'General case' 0 N--CA 1.5 2.061 0 O-C-N 121.146 -0.971 . . . . 0.0 110.226 179.9 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 84.0 t60 -61.07 -46.7 89.58 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 120.87 -1.144 . . . . 0.0 109.627 -179.506 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 27.0 m-85 -62.83 -40.91 98.85 Favored 'General case' 0 C--N 1.3 -1.57 0 O-C-N 121.184 -0.947 . . . . 0.0 110.381 -179.223 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.491 ' O ' ' O ' ' A' ' 41' ' ' SER . 87.8 mt -111.97 125.1 53.69 Favored 'General case' 0 N--CA 1.502 2.148 0 O-C-N 121.519 -0.738 . . . . 0.0 109.53 -179.517 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.43 ' N ' ' OE2' ' A' ' 46' ' ' GLU . 85.3 tt0 -144.42 77.26 1.53 Allowed 'General case' 0 N--CA 1.495 1.782 0 CA-C-O 121.986 0.898 . . . . 0.0 109.061 179.207 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.479 ' N ' ' CD ' ' A' ' 46' ' ' GLU . 1.3 pm0 -160.39 9.37 0.1 Allowed 'General case' 0 C--N 1.301 -1.533 0 O-C-N 121.05 -1.031 . . . . 0.0 109.13 179.947 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 82.5 mt -96.14 111.02 25.55 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.871 0 O-C-N 121.279 -0.888 . . . . 0.0 108.866 179.722 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 60.2 tttm -125.85 -14.87 6.07 Favored 'General case' 0 N--CA 1.496 1.847 0 N-CA-C 108.879 -0.786 . . . . 0.0 108.879 179.815 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 95.5 mt-10 -120.57 141.11 50.59 Favored 'General case' 0 N--CA 1.5 2.042 0 O-C-N 121.444 -0.785 . . . . 0.0 110.042 -179.174 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -68.01 -20.84 65.05 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.548 -0.72 . . . . 0.0 109.193 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -59.87 -40.23 87.95 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.093 -1.004 . . . . 0.0 108.956 179.43 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 70.9 t -60.02 -40.89 84.42 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.659 0 O-C-N 121.178 -0.951 . . . . 0.0 109.547 -179.587 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 54.1 t -61.18 -42.86 94.99 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.515 0 O-C-N 120.869 -1.144 . . . . 0.0 109.76 -179.52 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 90.3 m-20 -60.75 -43.05 98.43 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.401 -0.812 . . . . 0.0 109.984 -179.521 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 37.5 ttpt -61.34 -42.31 98.48 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.25 -0.906 . . . . 0.0 108.815 179.296 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 54.6 t -60.96 -40.64 86.14 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.946 0 O-C-N 121.233 -0.917 . . . . 0.0 109.776 179.773 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 81.7 mmm -61.7 -40.48 95.14 Favored 'General case' 0 C--N 1.299 -1.616 0 O-C-N 121.73 -0.606 . . . . 0.0 110.457 -179.282 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 86.5 mt-10 -61.91 -37.89 86.35 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 120.898 -1.126 . . . . 0.0 110.757 -179.698 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 88.2 m -72.53 -47.07 51.39 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 120.653 -1.28 . . . . 0.0 111.074 -178.222 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 2.2 pp -77.95 -40.1 40.51 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 120.956 -1.09 . . . . 0.0 111.053 -178.172 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . 0.403 ' CG ' ' H ' ' A' ' 64' ' ' GLY . 53.9 t0 -80.63 96.77 6.96 Favored 'General case' 0 N--CA 1.497 1.909 0 O-C-N 120.772 -1.205 . . . . 0.0 110.715 -179.461 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . 0.482 ' OE1' ' N ' ' A' ' 62' ' ' GLU . 54.1 mp0 -64.81 -39.91 94.36 Favored 'General case' 0 N--CA 1.496 1.836 0 O-C-N 121.166 -0.959 . . . . 0.0 108.974 178.632 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 95.0 m-20 -65.55 -43.69 89.13 Favored 'General case' 0 N--CA 1.503 2.188 0 O-C-N 121.002 -1.061 . . . . 0.0 109.955 -179.727 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . 0.403 ' H ' ' CG ' ' A' ' 61' ' ' ASP . . . 71.96 32.99 62.97 Favored Glycine 0 N--CA 1.492 2.387 0 N-CA-C 108.443 -1.863 . . . . 0.0 108.443 -178.745 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . 0.421 ' OD1' ' N ' ' A' ' 65' ' ' ASP . 39.0 p-10 -88.78 -2.2 58.47 Favored 'General case' 0 N--CA 1.489 1.475 0 O-C-N 121.376 -1.073 . . . . 0.0 110.036 -179.134 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 88.52 -3.65 85.18 Favored Glycine 0 N--CA 1.492 2.423 0 O-C-N 120.657 -1.277 . . . . 0.0 110.305 179.089 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 72.0 mm-40 -117.29 140.61 49.34 Favored 'General case' 0 N--CA 1.501 2.113 0 O-C-N 121.445 -1.032 . . . . 0.0 109.976 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 62.6 m -94.4 115.43 27.62 Favored 'General case' 0 N--CA 1.497 1.892 0 O-C-N 121.222 -0.924 . . . . 0.0 109.886 -179.701 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 82.3 m-20 -89.42 155.91 19.02 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.325 -0.86 . . . . 0.0 108.916 179.049 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 44.4 t80 -58.91 -44.86 91.36 Favored 'General case' 0 C--N 1.299 -1.597 0 O-C-N 121.448 -0.783 . . . . 0.0 110.01 -179.561 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 11.5 pt20 -60.92 -41.89 97.03 Favored 'General case' 0 N--CA 1.494 1.762 0 O-C-N 120.905 -1.122 . . . . 0.0 109.639 179.823 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 97.8 mt-10 -60.36 -38.64 84.48 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.313 -0.867 . . . . 0.0 109.125 178.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 54.8 t80 -60.03 -39.29 85.37 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.287 -0.883 . . . . 0.0 108.833 179.492 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 96.2 mmm -60.96 -39.43 89.52 Favored 'General case' 0 N--CA 1.496 1.837 0 O-C-N 120.542 -1.349 . . . . 0.0 108.842 179.796 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -60.25 -41.65 93.64 Favored 'General case' 0 N--CA 1.496 1.871 0 O-C-N 121.165 -0.959 . . . . 0.0 109.363 179.611 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 49.7 t80 -59.85 -42.38 93.49 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.235 -0.916 . . . . 0.0 109.542 -179.765 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 54.2 t -60.87 -40.13 84.23 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.621 0 O-C-N 121.294 -0.879 . . . . 0.0 109.473 179.812 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 59.6 p -66.96 -40.24 87.45 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 120.923 -1.111 . . . . 0.0 110.305 -179.826 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 57.0 ttp -60.78 -42.51 97.65 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 121.007 -1.058 . . . . 0.0 110.026 -179.133 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 54.3 t -64.89 -42.14 94.04 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.519 0 O-C-N 121.023 -1.048 . . . . 0.0 110.094 -179.507 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 41.3 m -66.8 -40.42 88.08 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.734 -0.604 . . . . 0.0 109.915 -179.408 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 17.1 p -63.7 -39.59 94.68 Favored 'General case' 0 C--N 1.304 -1.4 0 O-C-N 121.036 -1.04 . . . . 0.0 109.247 -179.844 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -67.35 -19.17 65.4 Favored 'General case' 0 N--CA 1.49 1.542 0 N-CA-C 108.789 -0.819 . . . . 0.0 108.789 179.852 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' CYS . . . . . 0.453 ' SG ' ' CD1' ' A' ' 88' ' ' PHE . 6.3 t -56.87 -171.33 0.01 OUTLIER 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.629 -0.669 . . . . 0.0 109.413 179.652 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' HIS . . . . . 0.494 ' CD2' ' O ' ' A' ' 87' ' ' PHE . 8.9 p-80 -134.11 175.91 9.06 Favored 'General case' 0 N--CA 1.502 2.148 0 O-C-N 121.276 -0.89 . . . . 0.0 110.168 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -53.64 -67.86 0.22 Allowed 'General case' 0 N--CA 1.497 1.888 0 O-C-N 121.678 -0.639 . . . . 0.0 111.785 -178.348 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' PHE . . . . . 0.494 ' O ' ' CD2' ' A' ' 85' ' ' HIS . 72.2 m-85 -88.39 114.29 24.86 Favored 'General case' 0 N--CA 1.502 2.148 0 O-C-N 120.934 -1.104 . . . . 0.0 110.619 -178.714 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . 0.453 ' CD1' ' SG ' ' A' ' 84' ' ' CYS . 15.9 t80 -95.07 -79.56 0.43 Allowed 'General case' 0 N--CA 1.5 2.054 0 O-C-N 121.304 -0.872 . . . . 0.0 110.267 179.27 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 67.3 mm-40 -119.15 -27.44 5.68 Favored 'General case' 0 N--CA 1.503 2.191 0 O-C-N 121.301 -0.874 . . . . 0.0 109.747 -179.799 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 90' ' ' HIS . . . . . 0.648 ' H ' ' CD2' ' A' ' 90' ' ' HIS . 0.0 OUTLIER -69.06 152.28 45.4 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.19 -0.944 . . . . 0.0 109.07 -179.736 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 65.6 mm-40 . . . . . 0 N--CA 1.492 1.673 0 CA-C-O 117.966 -1.016 . . . . 0.0 109.483 -179.324 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' B' B ' 0' ' ' MET . . . . . . . . . . . . . 12.3 mmt . . . . . 0 N--CA 1.488 1.465 0 N-CA-C 109.123 -0.695 . . . . 0.0 109.123 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 36.5 t -146.12 149.83 34.75 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.229 -0.92 . . . . 0.0 109.621 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 42.1 mt-10 -69.67 -27.88 65.4 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.611 -0.681 . . . . 0.0 109.916 179.753 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 61.0 tp -59.67 -49.77 76.47 Favored 'General case' 0 N--CA 1.502 2.139 0 O-C-N 121.274 -0.891 . . . . 0.0 109.357 -179.792 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 52.7 tp10 -62.76 -40.31 96.89 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.11 -0.994 . . . . 0.0 109.459 179.457 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 2.3 tpmt? -60.69 -44.71 96.2 Favored 'General case' 0 N--CA 1.496 1.859 0 O-C-N 121.464 -0.772 . . . . 0.0 109.133 179.623 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -59.86 -38.39 82.0 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.223 -0.923 . . . . 0.0 109.067 179.353 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 7' ' ' MET . . . . . . . . . . . . . 54.5 ttm -61.07 -46.16 91.8 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.105 -0.997 . . . . 0.0 109.972 179.645 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 70.4 t -64.09 -44.21 97.64 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.976 0 O-C-N 121.285 -0.884 . . . . 0.0 109.933 -179.588 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.99 -41.05 95.7 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 121.555 -0.716 . . . . 0.0 109.979 -179.916 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 63.3 tp -60.05 -44.91 94.35 Favored 'General case' 0 N--CA 1.485 1.307 0 O-C-N 120.917 -1.114 . . . . 0.0 109.476 -179.734 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 96.2 mt -65.88 -41.22 89.57 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.562 0 O-C-N 120.806 -1.184 . . . . 0.0 110.263 -179.687 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 19.2 t0 -60.22 -43.46 95.98 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.034 -1.041 . . . . 0.0 110.581 -178.544 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 61.4 t -61.34 -47.59 92.75 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.535 0 O-C-N 120.949 -1.094 . . . . 0.0 109.693 -179.569 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 14' ' ' PHE . . . . . . . . . . . . . 67.8 t80 -60.52 -49.91 75.67 Favored 'General case' 0 C--N 1.304 -1.392 0 O-C-N 121.082 -1.012 . . . . 0.0 109.204 179.922 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 15' ' ' HIS . . . . . 0.445 ' O ' ' N ' ' B' ' 19' ' ' GLY . 86.6 t60 -63.02 -40.93 99.22 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.181 -0.949 . . . . 0.0 110.114 179.665 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 2.7 tp-100 -62.42 -52.44 63.55 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.446 -0.784 . . . . 0.0 110.008 -178.517 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 49.6 t80 -66.05 -47.84 73.03 Favored 'General case' 0 C--N 1.303 -1.422 0 O-C-N 121.095 -1.003 . . . . 0.0 109.565 -179.788 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 18' ' ' SER . . . . . 0.431 ' O ' ' O ' ' B' ' 21' ' ' GLU . 95.6 p -68.05 -39.94 82.94 Favored 'General case' 0 N--CA 1.487 1.397 0 O-C-N 121.313 -0.867 . . . . 0.0 110.067 -179.451 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 19' ' ' GLY . . . . . 0.445 ' N ' ' O ' ' B' ' 15' ' ' HIS . . . -65.5 -47.79 74.79 Favored Glycine 0 N--CA 1.486 2.032 0 C-N-CA 119.82 -1.181 . . . . 0.0 111.038 -178.681 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -61.26 -41.8 97.53 Favored 'General case' 0 N--CA 1.494 1.762 0 O-C-N 121.0 -1.294 . . . . 0.0 110.158 -178.382 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 21' ' ' GLU . . . . . 0.431 ' O ' ' O ' ' B' ' 18' ' ' SER . 94.9 mt-10 -104.75 129.89 52.91 Favored 'General case' 0 N--CA 1.503 2.19 0 O-C-N 121.156 -0.965 . . . . 0.0 109.924 -179.801 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . 81.7 -15.91 22.86 Favored Glycine 0 N--CA 1.489 2.228 0 C-N-CA 120.016 -1.087 . . . . 0.0 110.709 179.225 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 88.6 m-20 51.59 49.85 20.02 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 120.973 -1.31 . . . . 0.0 110.166 179.764 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 24' ' ' LYS . . . . . 0.405 ' HG3' ' H ' ' B' ' 25' ' ' HIS . 4.7 tptm -164.69 -175.8 3.99 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 120.981 -1.074 . . . . 0.0 108.999 179.76 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 25' ' ' HIS . . . . . 0.405 ' H ' ' HG3' ' B' ' 24' ' ' LYS . 44.5 m80 -106.02 25.76 10.54 Favored 'General case' 0 N--CA 1.5 2.063 0 O-C-N 121.253 -0.905 . . . . 0.0 111.173 -178.623 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 21.6 pttp -128.9 156.12 44.2 Favored 'General case' 0 N--CA 1.499 2.011 0 O-C-N 121.115 -0.991 . . . . 0.0 109.042 179.797 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 43.6 mt -127.58 141.08 51.73 Favored 'General case' 0 N--CA 1.502 2.161 0 O-C-N 121.64 -0.663 . . . . 0.0 110.015 -178.792 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -96.11 178.71 5.31 Favored 'General case' 0 N--CA 1.499 1.987 0 O-C-N 121.228 -0.92 . . . . 0.0 109.742 179.898 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . 0.437 ' HB2' ' HZ3' ' B' ' 29' ' ' LYS . 11.4 ttmm -60.3 -42.5 95.66 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.344 -0.847 . . . . 0.0 111.034 -178.639 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 69.0 m -60.7 -41.87 96.06 Favored 'General case' 0 N--CA 1.496 1.827 0 O-C-N 120.789 -1.194 . . . . 0.0 109.93 -179.267 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -70.62 -40.32 73.23 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.787 -0.571 . . . . 0.0 110.889 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 32' ' ' LEU . . . . . 0.667 ' C ' HD13 ' B' ' 32' ' ' LEU . 2.9 tm? -60.27 -41.26 92.9 Favored 'General case' 0 N--CA 1.499 1.984 0 O-C-N 121.193 -0.942 . . . . 0.0 109.475 -179.139 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 79.4 tttt -59.41 -44.62 92.82 Favored 'General case' 0 N--CA 1.49 1.543 0 N-CA-C 108.067 -1.086 . . . . 0.0 108.067 178.495 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 34' ' ' GLU . . . . . 0.4 ' O ' ' N ' ' B' ' 38' ' ' ASN . 81.6 mm-40 -64.42 -39.75 94.44 Favored 'General case' 0 C--N 1.302 -1.477 0 O-C-N 121.173 -0.954 . . . . 0.0 110.311 -179.62 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 35' ' ' LEU . . . . . 0.54 ' O ' HD13 ' B' ' 35' ' ' LEU . 0.3 OUTLIER -56.45 -48.52 76.87 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 121.354 -0.842 . . . . 0.0 110.605 -178.168 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 96.5 mt -59.36 -48.7 86.18 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.969 0 O-C-N 120.656 -1.277 . . . . 0.0 109.599 -178.708 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 88.5 m-20 -74.52 -25.87 59.62 Favored 'General case' 0 C--N 1.298 -1.671 0 O-C-N 121.057 -1.027 . . . . 0.0 110.129 179.894 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 38' ' ' ASN . . . . . 0.4 ' N ' ' O ' ' B' ' 34' ' ' GLU . 42.8 t30 -61.28 -49.64 76.24 Favored 'General case' 0 N--CA 1.495 1.812 0 O-C-N 121.135 -0.978 . . . . 0.0 111.734 -178.52 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 39.4 mt-10 -118.24 -28.96 5.67 Favored 'General case' 0 N--CA 1.502 2.149 0 O-C-N 121.325 -0.859 . . . . 0.0 111.483 -177.909 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 77.7 mt -102.14 52.06 0.82 Allowed 'General case' 0 N--CA 1.502 2.164 0 O-C-N 121.106 -0.997 . . . . 0.0 110.399 -178.276 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 41' ' ' SER . . . . . 0.451 ' O ' ' O ' ' B' ' 44' ' ' LEU . 11.9 p -94.84 -55.74 3.0 Favored 'General case' 0 N--CA 1.499 2.018 0 O-C-N 120.93 -1.106 . . . . 0.0 110.338 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 42' ' ' HIS . . . . . . . . . . . . . 84.0 t60 -59.99 -47.26 86.56 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 120.782 -1.199 . . . . 0.0 109.561 -179.3 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 27.8 m-85 -62.11 -40.08 94.7 Favored 'General case' 0 N--CA 1.495 1.777 0 O-C-N 121.211 -0.931 . . . . 0.0 110.295 -179.275 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 44' ' ' LEU . . . . . 0.451 ' O ' ' O ' ' B' ' 41' ' ' SER . 75.2 mt -113.97 124.2 51.58 Favored 'General case' 0 N--CA 1.502 2.151 0 O-C-N 121.284 -0.885 . . . . 0.0 109.638 -179.494 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 45' ' ' GLU . . . . . 0.464 ' N ' ' OE2' ' B' ' 46' ' ' GLU . 85.4 tt0 -142.82 77.66 1.58 Allowed 'General case' 0 N--CA 1.494 1.772 0 O-C-N 121.425 -0.797 . . . . 0.0 109.239 179.286 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 46' ' ' GLU . . . . . 0.508 ' N ' ' CD ' ' B' ' 46' ' ' GLU . 1.4 pm0 -160.27 8.37 0.09 Allowed 'General case' 0 N--CA 1.488 1.445 0 O-C-N 121.196 -0.94 . . . . 0.0 109.647 179.874 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 73.9 mt -94.56 114.61 31.51 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.601 0 N-CA-C 108.571 -0.9 . . . . 0.0 108.571 179.673 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 63.0 tttm -129.78 -14.53 4.03 Favored 'General case' 0 N--CA 1.501 2.082 0 N-CA-C 108.63 -0.878 . . . . 0.0 108.63 179.718 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 94.3 mt-10 -119.96 140.81 50.36 Favored 'General case' 0 N--CA 1.496 1.855 0 O-C-N 121.815 -0.553 . . . . 0.0 109.984 -179.335 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -68.5 -19.63 64.54 Favored 'General case' 0 N--CA 1.495 1.783 0 N-CA-C 108.808 -0.812 . . . . 0.0 108.808 179.625 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -60.31 -40.67 91.38 Favored 'General case' 0 C--N 1.301 -1.522 0 O-C-N 121.25 -0.906 . . . . 0.0 109.058 179.214 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 73.8 t -59.94 -41.51 86.26 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.653 0 O-C-N 121.001 -1.062 . . . . 0.0 109.504 -179.359 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 47.3 t -60.14 -44.04 94.35 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.533 0 O-C-N 121.2 -0.937 . . . . 0.0 109.843 -179.611 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 91.2 m-20 -60.86 -42.01 97.03 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.273 -0.892 . . . . 0.0 110.055 -179.6 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 38.0 ttpt -62.72 -39.98 95.76 Favored 'General case' 0 N--CA 1.497 1.889 0 O-C-N 121.267 -0.895 . . . . 0.0 109.111 179.516 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 55.7 t -63.17 -39.94 87.17 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.47 0 O-C-N 121.082 -1.011 . . . . 0.0 109.195 179.555 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 57' ' ' MET . . . . . . . . . . . . . 79.5 mmm -61.83 -40.07 93.99 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.285 -0.884 . . . . 0.0 110.621 -179.656 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 83.2 mt-10 -61.21 -39.64 91.01 Favored 'General case' 0 N--CA 1.494 1.743 0 O-C-N 121.072 -1.017 . . . . 0.0 110.619 -179.354 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 87.7 m -71.86 -45.64 60.68 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.0 -1.062 . . . . 0.0 111.671 -178.26 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 2.4 pp -79.64 -38.81 32.92 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 120.503 -1.373 . . . . 0.0 110.75 -178.282 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 53.1 t0 -80.89 97.15 7.28 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.131 -0.98 . . . . 0.0 110.541 -179.213 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 62' ' ' GLU . . . . . 0.483 ' OE1' ' N ' ' B' ' 62' ' ' GLU . 57.0 mp0 -65.61 -39.86 92.0 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.024 -1.048 . . . . 0.0 109.415 179.25 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 95.2 m-20 -65.71 -41.42 92.33 Favored 'General case' 0 N--CA 1.496 1.858 0 O-C-N 121.075 -1.016 . . . . 0.0 110.624 179.774 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 70.85 30.86 67.66 Favored Glycine 0 N--CA 1.495 2.586 0 N-CA-C 108.967 -1.653 . . . . 0.0 108.967 -178.733 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 41.6 p-10 -86.72 -3.63 59.07 Favored 'General case' 0 N--CA 1.495 1.79 0 O-C-N 121.267 -1.137 . . . . 0.0 110.798 -179.06 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 89.8 -4.01 83.29 Favored Glycine 0 N--CA 1.498 2.789 0 O-C-N 121.09 -1.006 . . . . 0.0 110.641 179.561 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 73.7 mm-40 -116.68 141.93 47.57 Favored 'General case' 0 N--CA 1.503 2.214 0 O-C-N 121.371 -1.076 . . . . 0.0 109.52 -179.506 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 68' ' ' CYS . . . . . . . . . . . . . 56.8 m -96.22 115.33 27.26 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.407 -0.808 . . . . 0.0 109.844 -179.472 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 81.0 m-20 -89.11 157.94 18.13 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.1 -1.0 . . . . 0.0 109.149 179.664 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 44.4 t80 -59.82 -44.9 93.78 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.346 -0.846 . . . . 0.0 109.716 -179.572 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 11.1 pt20 -60.81 -41.67 96.14 Favored 'General case' 0 N--CA 1.494 1.764 0 O-C-N 120.731 -1.23 . . . . 0.0 109.676 -179.805 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -60.38 -38.75 84.91 Favored 'General case' 0 C--N 1.299 -1.587 0 O-C-N 121.369 -0.832 . . . . 0.0 109.352 179.548 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 73' ' ' PHE . . . . . . . . . . . . . 58.7 t80 -60.02 -40.05 87.95 Favored 'General case' 0 C--N 1.303 -1.451 0 O-C-N 121.088 -1.008 . . . . 0.0 108.828 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 74' ' ' MET . . . . . . . . . . . . . 96.5 mmm -59.84 -40.0 87.05 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 120.721 -1.237 . . . . 0.0 109.193 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -59.93 -41.33 91.54 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.163 -0.96 . . . . 0.0 109.603 179.742 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 50.1 t80 -60.04 -42.68 94.95 Favored 'General case' 0 N--CA 1.487 1.406 0 O-C-N 121.321 -0.862 . . . . 0.0 109.315 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 77' ' ' VAL . . . . . . . . . . . . . 57.2 t -60.97 -39.52 82.41 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.667 0 O-C-N 121.24 -0.912 . . . . 0.0 109.409 179.676 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 78' ' ' SER . . . . . . . . . . . . . 79.9 p -67.23 -40.23 86.32 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 120.914 -1.116 . . . . 0.0 110.032 179.92 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 79' ' ' MET . . . . . . . . . . . . . 56.6 ttp -60.91 -41.9 97.01 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 121.257 -0.902 . . . . 0.0 110.398 -179.274 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 54.0 t -65.72 -42.83 93.38 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.552 0 O-C-N 121.14 -0.975 . . . . 0.0 109.753 -179.315 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 30.4 m -65.79 -40.13 91.66 Favored 'General case' 0 N--CA 1.499 1.987 0 O-C-N 121.272 -0.892 . . . . 0.0 109.975 179.911 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 18.1 p -63.79 -39.77 95.04 Favored 'General case' 0 N--CA 1.487 1.401 0 O-C-N 121.029 -1.044 . . . . 0.0 109.155 -179.812 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -67.49 -17.81 64.82 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.528 -0.733 . . . . 0.0 109.101 179.52 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 84' ' ' CYS . . . . . 0.449 ' SG ' ' CD1' ' B' ' 88' ' ' PHE . 5.9 t -58.81 -171.61 0.01 OUTLIER 'General case' 0 C--N 1.3 -1.547 0 O-C-N 121.532 -0.73 . . . . 0.0 109.173 179.75 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 85' ' ' HIS . . . . . 0.537 ' CD2' ' O ' ' B' ' 87' ' ' PHE . 10.8 p-80 -134.26 173.94 11.06 Favored 'General case' 0 N--CA 1.502 2.137 0 O-C-N 121.412 -0.805 . . . . 0.0 110.229 -179.948 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -51.34 -68.67 0.15 Allowed 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.582 -0.699 . . . . 0.0 111.877 -177.908 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 87' ' ' PHE . . . . . 0.537 ' O ' ' CD2' ' B' ' 85' ' ' HIS . 69.0 m-85 -87.25 116.36 25.28 Favored 'General case' 0 N--CA 1.504 2.231 0 O-C-N 120.664 -1.272 . . . . 0.0 110.864 -178.513 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 88' ' ' PHE . . . . . 0.449 ' CD1' ' SG ' ' B' ' 84' ' ' CYS . 17.0 t80 -97.07 -79.8 0.45 Allowed 'General case' 0 N--CA 1.503 2.205 0 O-C-N 121.036 -1.04 . . . . 0.0 110.418 179.519 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 69.9 mm-40 -117.92 -28.37 5.93 Favored 'General case' 0 N--CA 1.5 2.058 0 O-C-N 121.461 -0.774 . . . . 0.0 109.415 -179.933 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 90' ' ' HIS . . . . . 0.651 ' H ' ' CD2' ' B' ' 90' ' ' HIS . 0.0 OUTLIER -69.55 151.04 46.46 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.337 -0.852 . . . . 0.0 109.38 -179.151 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 65.6 mm-40 . . . . . 0 N--CA 1.493 1.688 0 CA-C-O 118.084 -0.96 . . . . 0.0 109.578 -179.157 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 92' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 93' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' B' B ' 92' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' B' B ' 93' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 0' ' ' MET . . . . . 0.496 ' SD ' ' O ' ' A' ' 0' ' ' MET . 2.5 tmm? . . . . . 0 N--CA 1.491 1.585 0 CA-C-O 121.25 0.548 . . . . 0.0 109.679 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 17.9 m -148.0 113.4 5.61 Favored 'General case' 0 N--CA 1.497 1.916 0 O-C-N 120.995 -1.066 . . . . 0.0 109.408 179.53 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 54.7 tp10 -60.77 -42.45 97.52 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.291 -0.881 . . . . 0.0 109.665 -179.869 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.521 HD13 ' O ' ' A' ' 3' ' ' LEU . 0.2 OUTLIER -60.48 -42.61 96.64 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.096 -1.002 . . . . 0.0 109.303 -179.369 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 49.2 tp10 -61.26 -42.89 99.41 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.217 -0.927 . . . . 0.0 110.589 -179.238 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 61.6 tttm -60.04 -44.33 94.74 Favored 'General case' 0 N--CA 1.494 1.756 0 O-C-N 121.1 -1.0 . . . . 0.0 110.374 -178.86 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -59.99 -45.21 93.47 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.188 -0.945 . . . . 0.0 109.649 -179.362 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 57.7 tpp -60.09 -46.16 90.5 Favored 'General case' 0 C--N 1.302 -1.487 0 O-C-N 121.404 -0.81 . . . . 0.0 109.591 -179.723 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 84.5 t -69.97 -41.49 79.41 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.518 0 O-C-N 121.253 -0.904 . . . . 0.0 110.541 -178.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.05 -40.88 90.95 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.028 -1.045 . . . . 0.0 109.622 -179.524 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.486 HD13 ' O ' ' A' ' 10' ' ' LEU . 0.3 OUTLIER -60.1 -50.92 71.81 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.278 -0.889 . . . . 0.0 109.286 -179.973 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 96.6 mt -69.37 -40.73 80.4 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.651 0 O-C-N 121.119 -0.988 . . . . 0.0 109.754 -179.798 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . 0.468 ' O ' ' OE1' ' A' ' 16' ' ' GLN . 8.8 t0 -60.86 -49.8 76.02 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.307 -0.871 . . . . 0.0 110.25 -179.436 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 65.0 t -63.29 -41.84 94.24 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.574 0 O-C-N 120.792 -1.193 . . . . 0.0 109.708 -179.311 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 65.8 t80 -61.43 -48.12 82.65 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.286 -0.884 . . . . 0.0 110.946 -179.798 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 52.6 t-80 -70.68 -48.39 55.03 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.002 -1.061 . . . . 0.0 110.849 -178.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . 0.494 ' OE1' ' N ' ' A' ' 16' ' ' GLN . 9.2 mp0 -67.78 -42.95 80.87 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.036 -1.04 . . . . 0.0 110.96 -178.799 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . 0.563 ' CZ ' ' OD1' ' A' ' 38' ' ' ASN . 38.1 t80 -70.12 -41.53 73.82 Favored 'General case' 0 N--CA 1.494 1.736 0 O-C-N 120.569 -1.332 . . . . 0.0 110.739 -178.861 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 84.9 p -62.42 -39.96 95.01 Favored 'General case' 0 N--CA 1.494 1.748 0 O-C-N 121.166 -0.959 . . . . 0.0 111.056 -178.438 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -80.14 -9.98 86.01 Favored Glycine 0 N--CA 1.493 2.437 0 N-CA-C 109.575 -1.41 . . . . 0.0 109.575 -179.379 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 15.3 tpt180 -60.28 -39.94 88.68 Favored 'General case' 0 C--N 1.301 -1.533 0 O-C-N 121.434 -1.039 . . . . 0.0 109.927 -179.719 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 18.1 tt0 -97.17 1.08 49.42 Favored 'General case' 0 N--CA 1.494 1.763 0 O-C-N 121.325 -0.86 . . . . 0.0 110.115 -178.518 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 82.25 16.34 71.98 Favored Glycine 0 N--CA 1.492 2.426 0 N-CA-C 109.085 -1.606 . . . . 0.0 109.085 -179.7 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 94.8 m-20 -69.98 -16.96 63.27 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.354 -1.086 . . . . 0.0 109.371 179.878 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . 0.635 ' O ' ' CG ' ' A' ' 25' ' ' HIS . 43.5 mtmt 57.65 62.5 2.1 Favored 'General case' 0 N--CA 1.498 1.954 0 O-C-N 121.796 -0.565 . . . . 0.0 111.163 179.353 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . 0.635 ' CG ' ' O ' ' A' ' 24' ' ' LYS . 16.7 p80 49.74 44.6 24.85 Favored 'General case' 0 N--CA 1.5 2.043 0 O-C-N 121.983 -0.448 . . . . 0.0 111.926 178.635 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.415 ' C ' HD12 ' A' ' 27' ' ' LEU . 54.4 mtmt -140.37 129.38 23.43 Favored 'General case' 0 N--CA 1.503 2.223 0 O-C-N 121.092 -1.005 . . . . 0.0 108.863 177.907 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.458 ' N ' HD12 ' A' ' 27' ' ' LEU . 10.6 mp -101.77 119.62 39.08 Favored 'General case' 0 N--CA 1.502 2.172 0 O-C-N 121.039 -1.038 . . . . 0.0 109.973 -179.306 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 2.1 tppt? -114.78 178.98 4.08 Favored 'General case' 0 N--CA 1.501 2.098 0 N-CA-C 108.623 -0.88 . . . . 0.0 108.623 179.468 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 26.6 tptp -59.94 -40.84 90.32 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 120.978 -1.076 . . . . 0.0 109.91 179.699 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 87.1 p -62.24 -45.48 93.13 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 120.974 -1.079 . . . . 0.0 109.918 -179.69 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 83.1 tt0 -69.64 -39.94 76.82 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.37 -0.831 . . . . 0.0 110.691 -179.315 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 8.7 tt -60.11 -49.19 78.63 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.207 -0.933 . . . . 0.0 110.592 -177.951 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 58.0 tttm -59.93 -43.06 95.18 Favored 'General case' 0 C--N 1.302 -1.496 0 O-C-N 121.052 -1.03 . . . . 0.0 109.037 -178.965 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . 0.457 ' O ' ' ND2' ' A' ' 38' ' ' ASN . 80.4 mm-40 -70.0 -34.06 72.83 Favored 'General case' 0 C--N 1.302 -1.49 0 O-C-N 121.349 -0.844 . . . . 0.0 109.406 179.173 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 19.2 tp -60.03 -42.98 95.57 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.534 -0.729 . . . . 0.0 110.112 -178.455 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 95.7 mt -64.31 -39.93 87.26 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.65 0 O-C-N 121.064 -1.023 . . . . 0.0 110.187 -179.518 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . 0.45 ' O ' ' O ' ' A' ' 38' ' ' ASN . 3.0 m120 -69.12 -19.91 64.05 Favored 'General case' 0 N--CA 1.496 1.86 0 O-C-N 121.073 -1.017 . . . . 0.0 110.473 -179.317 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . 0.563 ' OD1' ' CZ ' ' A' ' 17' ' ' TYR . 4.4 m120 -45.75 -99.17 0.0 OUTLIER 'General case' 0 N--CA 1.494 1.76 0 O-C-N 121.209 -0.932 . . . . 0.0 111.015 -178.905 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 64.3 mm-40 -111.3 -3.28 15.38 Favored 'General case' 0 N--CA 1.496 1.865 0 O-C-N 121.514 -0.741 . . . . 0.0 109.721 -178.866 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.489 ' N ' HD12 ' A' ' 40' ' ' LEU . 10.7 mp -93.14 121.24 34.3 Favored 'General case' 0 N--CA 1.496 1.829 0 O-C-N 121.211 -0.931 . . . . 0.0 109.445 -179.732 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 2.9 t -153.3 -53.88 0.11 Allowed 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.329 -0.857 . . . . 0.0 109.19 179.554 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 94.6 m-70 -69.31 -40.14 77.85 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.608 -0.682 . . . . 0.0 110.726 -179.235 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . 0.471 ' CZ ' ' SG ' ' A' ' 84' ' ' CYS . 3.2 t80 -72.18 -43.72 64.12 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.097 -1.002 . . . . 0.0 110.467 -178.168 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -90.31 -77.7 0.39 Allowed 'General case' 0 N--CA 1.499 1.999 0 O-C-N 120.919 -1.113 . . . . 0.0 110.072 -179.693 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.441 ' O ' ' C ' ' A' ' 46' ' ' GLU . 27.8 tt0 62.79 -124.85 0.64 Allowed 'General case' 0 N--CA 1.49 1.573 0 N-CA-C 108.196 -1.038 . . . . 0.0 108.196 -178.347 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.441 ' C ' ' O ' ' A' ' 45' ' ' GLU . 9.2 pt-20 36.48 -149.32 0.01 OUTLIER 'General case' 0 N--CA 1.502 2.17 0 O-C-N 121.546 -0.721 . . . . 0.0 110.959 179.332 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.534 HG22 ' O ' ' A' ' 47' ' ' ILE . 41.0 mt 56.38 83.32 0.06 OUTLIER 'Isoleucine or valine' 0 N--CA 1.494 1.753 0 O-C-N 121.222 -0.924 . . . . 0.0 109.066 -179.865 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 25.8 mttm -92.65 -13.27 29.75 Favored 'General case' 0 N--CA 1.494 1.77 0 O-C-N 121.268 -0.895 . . . . 0.0 109.721 -179.216 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -141.32 156.51 45.84 Favored 'General case' 0 N--CA 1.498 1.973 0 O-C-N 121.133 -0.979 . . . . 0.0 109.936 -179.819 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . 0.531 ' OE1' ' N ' ' A' ' 50' ' ' GLN . 5.0 mp0 -69.92 -28.9 65.98 Favored 'General case' 0 N--CA 1.492 1.675 0 O-C-N 121.351 -0.843 . . . . 0.0 109.719 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 53.9 tp10 -59.93 -36.41 76.98 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.188 -0.945 . . . . 0.0 109.538 -178.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 87.5 t -60.05 -40.16 82.41 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.637 0 O-C-N 120.85 -1.156 . . . . 0.0 109.034 -179.809 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 89.8 t -61.51 -41.34 89.72 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.614 0 O-C-N 120.909 -1.119 . . . . 0.0 108.977 179.751 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 99.4 m-20 -61.12 -40.08 92.41 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.186 -0.946 . . . . 0.0 109.591 179.821 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -63.78 -40.01 95.64 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.29 -0.881 . . . . 0.0 108.971 179.807 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 55.8 t -60.05 -42.68 90.61 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.398 0 O-C-N 121.244 -0.91 . . . . 0.0 108.993 179.669 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 77.3 mmm -61.62 -45.68 93.04 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.227 -0.921 . . . . 0.0 109.88 179.114 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 46.0 mt-10 -69.99 -40.98 74.99 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.194 -0.941 . . . . 0.0 110.376 -179.69 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 94.6 m -70.26 -44.68 67.96 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.153 -0.967 . . . . 0.0 109.988 -179.675 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 51.4 tp -60.1 -50.06 75.18 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.088 -1.007 . . . . 0.0 109.646 -179.721 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . 0.428 ' OD1' ' OE1' ' A' ' 72' ' ' GLU . 96.8 m-20 -82.72 109.89 17.29 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.186 -0.946 . . . . 0.0 110.009 -179.72 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . 0.452 ' CD ' ' N ' ' A' ' 62' ' ' GLU . 5.4 mp0 -61.62 -39.99 93.25 Favored 'General case' 0 C--N 1.302 -1.468 0 O-C-N 121.473 -0.767 . . . . 0.0 109.093 179.012 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 35.3 p-10 -76.84 -10.01 59.08 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.326 -0.859 . . . . 0.0 109.059 179.857 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 54.11 50.82 53.95 Favored Glycine 0 N--CA 1.491 2.348 0 N-CA-C 110.37 -1.092 . . . . 0.0 110.37 179.104 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . 0.433 ' O ' ' OE1' ' A' ' 67' ' ' GLU . 35.4 p-10 -79.65 -12.76 59.81 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.091 -1.24 . . . . 0.0 109.784 -179.862 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 83.51 4.9 88.98 Favored Glycine 0 N--CA 1.494 2.528 0 C-N-CA 120.086 -1.054 . . . . 0.0 110.47 179.149 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.433 ' OE1' ' O ' ' A' ' 65' ' ' ASP . 24.5 mp0 -138.15 153.13 49.23 Favored 'General case' 0 N--CA 1.499 1.99 0 O-C-N 121.092 -1.24 . . . . 0.0 109.205 179.558 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -118.17 122.68 43.65 Favored 'General case' 0 N--CA 1.5 2.031 0 O-C-N 121.479 -0.763 . . . . 0.0 109.72 -179.712 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 94.3 m-20 -90.03 177.91 6.34 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.526 -0.734 . . . . 0.0 109.23 179.358 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 56.7 t80 -59.99 -48.14 82.95 Favored 'General case' 0 C--N 1.302 -1.497 0 O-C-N 121.581 -0.699 . . . . 0.0 109.843 179.901 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 26.6 mm100 -59.94 -40.39 88.79 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.024 -1.047 . . . . 0.0 109.596 -179.88 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . 0.428 ' OE1' ' OD1' ' A' ' 61' ' ' ASP . 44.0 mt-10 -68.71 -39.92 80.24 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.136 -0.977 . . . . 0.0 109.057 179.233 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 93.9 t80 -59.94 -41.36 91.64 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.405 -0.81 . . . . 0.0 109.633 -179.886 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 94.2 mmm -60.09 -39.99 88.03 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.252 -0.905 . . . . 0.0 109.433 179.63 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -59.96 -40.01 87.61 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.279 -0.888 . . . . 0.0 110.144 -179.396 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 70.2 t80 -60.11 -40.54 90.05 Favored 'General case' 0 C--N 1.301 -1.541 0 O-C-N 121.192 -0.943 . . . . 0.0 110.891 -179.434 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 53.8 t -61.17 -41.01 87.8 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.723 0 O-C-N 120.871 -1.143 . . . . 0.0 109.555 -179.644 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 76.7 p -67.45 -40.01 85.4 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.182 -0.948 . . . . 0.0 110.293 -179.819 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 98.2 mtp -59.97 -43.98 94.73 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.042 -1.036 . . . . 0.0 109.977 -179.229 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 79.3 t -70.03 -40.15 78.16 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.484 0 O-C-N 121.115 -0.991 . . . . 0.0 109.558 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 86.4 m -61.0 -40.56 93.98 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 121.304 -0.873 . . . . 0.0 109.945 -179.403 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 90.0 m -60.44 -42.15 95.52 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.093 -1.004 . . . . 0.0 110.336 -178.412 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -62.56 -42.22 99.4 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 120.906 -1.121 . . . . 0.0 109.084 179.835 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' CYS . . . . . 0.471 ' SG ' ' CZ ' ' A' ' 43' ' ' PHE . 14.7 m -80.34 133.06 35.89 Favored 'General case' 0 N--CA 1.488 1.462 0 O-C-N 121.438 -0.789 . . . . 0.0 109.001 179.662 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' HIS . . . . . 0.486 ' O ' ' CB ' ' A' ' 86' ' ' GLU . 54.0 p-80 -158.54 -166.23 1.85 Allowed 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.206 -0.934 . . . . 0.0 109.861 -179.543 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . 0.49 ' C ' ' CG ' ' A' ' 87' ' ' PHE . 1.3 tm-20 79.04 20.3 0.73 Allowed 'General case' 0 N--CA 1.495 1.803 0 N-CA-C 109.043 -0.725 . . . . 0.0 109.043 -179.6 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' PHE . . . . . 0.493 ' CD1' ' N ' ' A' ' 87' ' ' PHE . 0.1 OUTLIER 40.29 89.93 0.01 OUTLIER 'General case' 0 N--CA 1.499 1.978 0 O-C-N 121.595 -0.691 . . . . 0.0 109.189 -179.942 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 37.1 t80 -53.47 120.85 6.62 Favored 'General case' 0 C--N 1.301 -1.523 0 O-C-N 121.384 -0.823 . . . . 0.0 109.746 -178.596 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . 0.596 ' CD ' ' H ' ' A' ' 89' ' ' GLU . 3.8 pm0 -95.06 171.67 8.61 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.365 -0.834 . . . . 0.0 109.266 179.35 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 90' ' ' HIS . . . . . 0.436 ' ND1' ' N ' ' A' ' 91' ' ' GLU . 1.0 OUTLIER -58.6 139.84 55.26 Favored 'General case' 0 C--N 1.299 -1.591 0 O-C-N 121.37 -0.831 . . . . 0.0 109.658 -179.858 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . 0.436 ' N ' ' ND1' ' A' ' 90' ' ' HIS . 88.5 tt0 . . . . . 0 N--CA 1.492 1.654 0 CA-C-O 117.971 -1.014 . . . . 0.0 109.31 -179.574 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 0' ' ' MET . . . . . 0.504 ' SD ' ' O ' ' B' ' 0' ' ' MET . 2.3 tmm? . . . . . 0 N--CA 1.492 1.667 0 N-CA-C 109.284 -0.636 . . . . 0.0 109.284 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 14.6 m -148.45 112.93 5.31 Favored 'General case' 0 N--CA 1.495 1.823 0 O-C-N 121.138 -0.976 . . . . 0.0 109.362 179.842 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 54.6 tp10 -60.8 -42.21 97.16 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.266 -0.896 . . . . 0.0 109.673 -179.849 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 3' ' ' LEU . . . . . 0.518 HD13 ' O ' ' B' ' 3' ' ' LEU . 0.2 OUTLIER -60.67 -42.55 97.3 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.173 -0.954 . . . . 0.0 109.33 -179.175 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 49.4 tp10 -61.41 -42.7 99.16 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.184 -0.948 . . . . 0.0 110.639 -179.327 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 62.6 tttm -60.03 -44.65 94.47 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.005 -1.059 . . . . 0.0 110.409 -178.929 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -60.1 -45.18 93.82 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.193 -0.942 . . . . 0.0 109.689 -179.351 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 7' ' ' MET . . . . . . . . . . . . . 56.0 tpp -59.94 -45.78 91.53 Favored 'General case' 0 C--N 1.301 -1.526 0 O-C-N 121.394 -0.816 . . . . 0.0 109.599 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 79.3 t -70.0 -41.91 79.44 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.554 0 O-C-N 121.293 -0.879 . . . . 0.0 110.468 -179.003 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.32 -40.6 91.17 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 120.907 -1.121 . . . . 0.0 109.685 -179.471 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 10' ' ' LEU . . . . . 0.467 HD13 ' O ' ' B' ' 10' ' ' LEU . 0.3 OUTLIER -60.25 -51.23 70.43 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.191 -0.943 . . . . 0.0 109.052 -179.961 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 96.6 mt -68.78 -41.04 82.18 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.592 0 O-C-N 121.073 -1.017 . . . . 0.0 109.81 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 12' ' ' ASP . . . . . 0.466 ' O ' ' OE1' ' B' ' 16' ' ' GLN . 8.7 t0 -60.95 -49.29 78.07 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.19 -0.944 . . . . 0.0 110.342 -179.287 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 76.6 t -63.72 -42.02 94.57 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.635 0 O-C-N 120.813 -1.18 . . . . 0.0 109.695 -179.318 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 14' ' ' PHE . . . . . . . . . . . . . 64.9 t80 -60.89 -48.5 81.52 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.368 -0.832 . . . . 0.0 110.93 -179.875 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 53.3 t-80 -70.53 -48.58 54.79 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 120.917 -1.114 . . . . 0.0 110.781 -178.924 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 16' ' ' GLN . . . . . 0.499 ' N ' ' OE1' ' B' ' 16' ' ' GLN . 9.2 mp0 -67.29 -42.85 83.06 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 120.975 -1.078 . . . . 0.0 111.008 -178.942 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 17' ' ' TYR . . . . . 0.561 ' CZ ' ' OD1' ' B' ' 38' ' ' ASN . 40.2 t80 -70.46 -41.45 72.75 Favored 'General case' 0 N--CA 1.496 1.836 0 O-C-N 120.598 -1.314 . . . . 0.0 110.779 -178.879 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 83.1 p -62.24 -40.03 94.8 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.159 -0.963 . . . . 0.0 111.107 -178.583 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -80.21 -10.1 85.84 Favored Glycine 0 N--CA 1.493 2.471 0 N-CA-C 109.693 -1.363 . . . . 0.0 109.693 -179.413 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 14.9 tpt180 -59.96 -40.11 87.89 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.429 -1.042 . . . . 0.0 109.84 -179.722 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 14.0 tt0 -96.77 0.29 49.21 Favored 'General case' 0 N--CA 1.495 1.775 0 O-C-N 121.476 -0.765 . . . . 0.0 110.058 -178.55 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . 82.28 16.79 70.71 Favored Glycine 0 N--CA 1.492 2.425 0 N-CA-C 109.185 -1.566 . . . . 0.0 109.185 -179.459 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 94.9 m-20 -69.99 -16.75 63.23 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.523 -0.986 . . . . 0.0 109.226 179.726 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 24' ' ' LYS . . . . . 0.635 ' O ' ' CG ' ' B' ' 25' ' ' HIS . 42.1 mtmt 57.48 62.33 2.19 Favored 'General case' 0 N--CA 1.497 1.882 0 O-C-N 121.775 -0.578 . . . . 0.0 111.096 179.352 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 25' ' ' HIS . . . . . 0.635 ' CG ' ' O ' ' B' ' 24' ' ' LYS . 17.0 p80 49.61 45.05 24.55 Favored 'General case' 0 N--CA 1.5 2.061 0 CA-C-O 121.082 0.468 . . . . 0.0 111.983 178.678 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 26' ' ' LYS . . . . . 0.408 ' C ' HD12 ' B' ' 27' ' ' LEU . 54.7 mtmt -140.44 129.68 23.72 Favored 'General case' 0 N--CA 1.502 2.161 0 O-C-N 121.157 -0.964 . . . . 0.0 108.739 177.729 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 27' ' ' LEU . . . . . 0.436 HD12 ' N ' ' B' ' 27' ' ' LEU . 10.8 mp -101.86 119.5 38.89 Favored 'General case' 0 N--CA 1.501 2.087 0 O-C-N 121.057 -1.027 . . . . 0.0 109.924 -179.571 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 2.4 tppt? -115.04 179.06 4.06 Favored 'General case' 0 N--CA 1.5 2.073 0 N-CA-C 108.554 -0.906 . . . . 0.0 108.554 179.546 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 26.9 tptp -60.0 -40.48 89.34 Favored 'General case' 0 N--CA 1.495 1.814 0 O-C-N 120.846 -1.159 . . . . 0.0 109.952 179.776 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 81.1 p -62.24 -45.98 90.92 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.125 -0.984 . . . . 0.0 109.988 -179.631 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 84.2 tt0 -69.8 -39.98 76.24 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.367 -0.833 . . . . 0.0 110.731 -179.16 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 9.1 tt -60.04 -48.84 80.03 Favored 'General case' 0 N--CA 1.495 1.82 0 O-C-N 121.115 -0.99 . . . . 0.0 110.533 -178.087 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 53.4 tttm -59.92 -43.4 94.93 Favored 'General case' 0 C--N 1.301 -1.529 0 O-C-N 120.984 -1.073 . . . . 0.0 108.986 -179.13 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 34' ' ' GLU . . . . . 0.466 ' O ' ' ND2' ' B' ' 38' ' ' ASN . 80.8 mm-40 -69.92 -34.51 73.56 Favored 'General case' 0 C--N 1.301 -1.528 0 O-C-N 121.454 -0.779 . . . . 0.0 109.394 179.213 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 16.4 tp -59.97 -42.29 93.79 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.512 -0.742 . . . . 0.0 109.988 -178.496 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 96.8 mt -64.56 -40.04 87.67 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.689 0 O-C-N 120.998 -1.064 . . . . 0.0 110.206 -179.606 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 37' ' ' ASN . . . . . 0.461 ' O ' ' O ' ' B' ' 38' ' ' ASN . 3.1 m120 -68.86 -19.93 64.26 Favored 'General case' 0 N--CA 1.495 1.778 0 O-C-N 121.008 -1.058 . . . . 0.0 110.659 -179.289 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 38' ' ' ASN . . . . . 0.561 ' OD1' ' CZ ' ' B' ' 17' ' ' TYR . 4.1 m120 -45.37 -99.57 0.0 OUTLIER 'General case' 0 N--CA 1.494 1.763 0 O-C-N 121.252 -0.905 . . . . 0.0 110.979 -178.854 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 62.2 mm-40 -111.21 -2.94 15.57 Favored 'General case' 0 N--CA 1.495 1.79 0 O-C-N 121.495 -0.753 . . . . 0.0 109.704 -179.028 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 40' ' ' LEU . . . . . 0.526 HD12 ' N ' ' B' ' 40' ' ' LEU . 10.5 mp -93.25 121.81 35.0 Favored 'General case' 0 N--CA 1.496 1.868 0 O-C-N 121.148 -0.97 . . . . 0.0 109.41 -179.902 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 3.2 t -153.79 -53.74 0.1 Allowed 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.404 -0.81 . . . . 0.0 109.21 179.637 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 42' ' ' HIS . . . . . . . . . . . . . 93.0 m-70 -69.66 -40.13 76.63 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.568 -0.708 . . . . 0.0 110.55 -179.257 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 43' ' ' PHE . . . . . 0.423 ' CZ ' ' SG ' ' B' ' 84' ' ' CYS . 3.0 t80 -71.7 -43.74 65.41 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.199 -0.938 . . . . 0.0 110.594 -178.165 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -90.84 -77.74 0.4 Allowed 'General case' 0 N--CA 1.499 1.99 0 O-C-N 120.972 -1.08 . . . . 0.0 110.084 -179.574 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 45' ' ' GLU . . . . . 0.438 ' O ' ' C ' ' B' ' 46' ' ' GLU . 28.3 tt0 63.19 -124.4 0.59 Allowed 'General case' 0 N--CA 1.491 1.589 0 N-CA-C 108.186 -1.042 . . . . 0.0 108.186 -178.41 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 46' ' ' GLU . . . . . 0.438 ' C ' ' O ' ' B' ' 45' ' ' GLU . 9.0 pt-20 36.01 -148.71 0.01 OUTLIER 'General case' 0 N--CA 1.502 2.174 0 O-C-N 121.578 -0.701 . . . . 0.0 111.007 179.466 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 47' ' ' ILE . . . . . 0.485 HG22 ' O ' ' B' ' 47' ' ' ILE . 46.1 mt 55.91 83.8 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.495 1.787 0 O-C-N 121.224 -0.923 . . . . 0.0 108.924 -179.72 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 26.9 mttm -93.04 -13.37 28.73 Favored 'General case' 0 N--CA 1.494 1.765 0 O-C-N 121.261 -0.9 . . . . 0.0 109.574 -179.295 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -141.24 156.23 45.92 Favored 'General case' 0 N--CA 1.499 2.011 0 O-C-N 121.155 -0.966 . . . . 0.0 109.978 -179.78 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 50' ' ' GLN . . . . . 0.54 ' N ' ' OE1' ' B' ' 50' ' ' GLN . 5.1 mp0 -69.96 -28.54 65.63 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.382 -0.824 . . . . 0.0 109.816 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 53.7 tp10 -59.98 -36.42 77.12 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.098 -1.002 . . . . 0.0 109.362 -179.07 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 83.1 t -59.95 -40.14 82.15 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.69 0 O-C-N 120.908 -1.12 . . . . 0.0 109.197 -179.765 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 72.0 t -61.59 -41.31 89.76 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.632 0 O-C-N 120.889 -1.132 . . . . 0.0 108.903 179.595 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 99.4 m-20 -60.85 -40.01 91.28 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.278 -0.889 . . . . 0.0 109.721 179.792 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -63.9 -40.01 95.51 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.276 -0.89 . . . . 0.0 108.968 179.634 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 55.3 t -60.03 -43.31 92.35 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.416 0 O-C-N 121.303 -0.873 . . . . 0.0 108.903 179.91 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 57' ' ' MET . . . . . . . . . . . . . 74.3 mmm -61.13 -45.63 93.87 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.239 -0.913 . . . . 0.0 109.908 179.071 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -69.75 -41.24 75.5 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.218 -0.926 . . . . 0.0 110.45 -179.65 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 94.1 m -70.14 -45.26 67.17 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.202 -0.936 . . . . 0.0 110.183 -179.785 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 54.1 tp -59.98 -49.99 75.51 Favored 'General case' 0 N--CA 1.488 1.46 0 O-C-N 121.109 -0.995 . . . . 0.0 109.652 -179.67 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 61' ' ' ASP . . . . . 0.419 ' OD1' ' OE1' ' B' ' 72' ' ' GLU . 97.0 m-20 -82.33 109.8 16.91 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.082 -1.011 . . . . 0.0 110.076 -179.854 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 62' ' ' GLU . . . . . 0.453 ' N ' ' CD ' ' B' ' 62' ' ' GLU . 5.6 mp0 -62.18 -39.95 94.41 Favored 'General case' 0 N--CA 1.487 1.413 0 O-C-N 121.449 -0.782 . . . . 0.0 109.068 179.047 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 35.1 p-10 -76.8 -10.02 59.08 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.345 -0.847 . . . . 0.0 109.024 179.811 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 53.99 51.35 50.42 Favored Glycine 0 N--CA 1.492 2.378 0 N-CA-C 110.355 -1.098 . . . . 0.0 110.355 178.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 65' ' ' ASP . . . . . 0.44 ' O ' ' OE1' ' B' ' 67' ' ' GLU . 37.0 p-10 -80.0 -12.24 59.72 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 120.95 -1.323 . . . . 0.0 109.93 -179.94 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 83.44 4.85 89.11 Favored Glycine 0 N--CA 1.494 2.56 0 C-N-CA 120.08 -1.057 . . . . 0.0 110.474 179.351 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 67' ' ' GLU . . . . . 0.44 ' OE1' ' O ' ' B' ' 65' ' ' ASP . 24.4 mp0 -138.19 153.6 49.16 Favored 'General case' 0 N--CA 1.5 2.072 0 O-C-N 121.113 -1.227 . . . . 0.0 109.304 179.613 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 68' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -118.87 122.6 42.69 Favored 'General case' 0 N--CA 1.5 2.057 0 O-C-N 121.513 -0.742 . . . . 0.0 109.687 -179.874 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 94.1 m-20 -89.9 178.1 6.31 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.405 -0.809 . . . . 0.0 109.216 179.39 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 56.8 t80 -59.91 -48.17 82.79 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.46 -0.775 . . . . 0.0 109.834 179.922 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 25.4 mm100 -60.39 -40.02 89.36 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.0 -1.062 . . . . 0.0 109.497 -179.706 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 72' ' ' GLU . . . . . 0.419 ' OE1' ' OD1' ' B' ' 61' ' ' ASP . 45.1 mt-10 -68.71 -39.91 80.21 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.127 -0.983 . . . . 0.0 108.93 179.125 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 73' ' ' PHE . . . . . . . . . . . . . 93.8 t80 -59.96 -41.38 91.82 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.541 -0.724 . . . . 0.0 109.73 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 74' ' ' MET . . . . . . . . . . . . . 94.2 mmm -60.24 -39.97 88.59 Favored 'General case' 0 C--N 1.302 -1.48 0 O-C-N 121.231 -0.918 . . . . 0.0 109.412 179.784 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -60.12 -40.0 88.19 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.257 -0.902 . . . . 0.0 110.116 -179.492 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 68.2 t80 -60.04 -40.24 88.7 Favored 'General case' 0 C--N 1.302 -1.488 0 O-C-N 121.228 -0.92 . . . . 0.0 110.792 -179.24 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 77' ' ' VAL . . . . . . . . . . . . . 54.3 t -61.06 -41.83 90.76 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.741 0 O-C-N 120.878 -1.139 . . . . 0.0 109.692 -179.748 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 78' ' ' SER . . . . . . . . . . . . . 66.1 p -67.01 -39.92 87.19 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.152 -0.968 . . . . 0.0 110.249 -179.708 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 79' ' ' MET . . . . . . . . . . . . . 98.2 mtp -60.01 -43.54 95.16 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.104 -0.998 . . . . 0.0 109.843 -178.881 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 70.2 t -70.1 -40.59 78.5 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.511 0 O-C-N 121.099 -1.001 . . . . 0.0 109.579 179.887 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 92.5 m -61.14 -40.02 92.25 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.15 -0.969 . . . . 0.0 110.149 -179.142 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 87.3 m -60.32 -42.37 95.48 Favored 'General case' 0 N--CA 1.494 1.739 0 O-C-N 121.131 -0.981 . . . . 0.0 110.322 -178.915 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -62.55 -42.19 99.37 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 120.886 -1.134 . . . . 0.0 109.085 -179.919 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 84' ' ' CYS . . . . . 0.423 ' SG ' ' CZ ' ' B' ' 43' ' ' PHE . 14.7 m -80.56 133.38 35.78 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.446 -0.784 . . . . 0.0 108.893 179.629 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 85' ' ' HIS . . . . . 0.489 ' O ' ' CB ' ' B' ' 86' ' ' GLU . 53.6 p-80 -158.6 -165.9 1.77 Allowed 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.098 -1.001 . . . . 0.0 109.856 -179.575 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 86' ' ' GLU . . . . . 0.492 ' C ' ' CG ' ' B' ' 87' ' ' PHE . 1.4 tm-20 78.37 21.17 0.84 Allowed 'General case' 0 N--CA 1.494 1.756 0 O-C-N 121.607 -0.683 . . . . 0.0 109.186 -179.692 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 87' ' ' PHE . . . . . 0.495 ' CD1' ' N ' ' B' ' 87' ' ' PHE . 0.1 OUTLIER 39.93 90.04 0.01 OUTLIER 'General case' 0 N--CA 1.502 2.129 0 N-CA-C 109.267 -0.642 . . . . 0.0 109.267 179.919 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 36.2 t80 -53.74 120.58 6.43 Favored 'General case' 0 C--N 1.299 -1.596 0 O-C-N 121.398 -0.814 . . . . 0.0 109.682 -178.738 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 89' ' ' GLU . . . . . 0.586 ' CD ' ' H ' ' B' ' 89' ' ' GLU . 3.8 pm0 -94.56 172.83 7.94 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.358 -0.839 . . . . 0.0 109.232 179.388 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 90' ' ' HIS . . . . . 0.427 ' ND1' ' N ' ' B' ' 91' ' ' GLU . 0.9 OUTLIER -60.04 140.06 57.06 Favored 'General case' 0 C--N 1.302 -1.478 0 O-C-N 121.42 -0.8 . . . . 0.0 109.643 -179.684 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' B' B ' 91' ' ' GLU . . . . . 0.427 ' N ' ' ND1' ' B' ' 90' ' ' HIS . 88.0 tt0 . . . . . 0 N--CA 1.489 1.484 0 CA-C-O 117.979 -1.01 . . . . 0.0 109.42 -179.546 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 92' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 93' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' B' B ' 92' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' B' B ' 93' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 0' ' ' MET . . . . . 0.591 ' SD ' ' N ' ' A' ' 1' ' ' SER . 0.0 OUTLIER . . . . . 0 N--CA 1.491 1.62 0 N-CA-C 108.79 -0.819 . . . . 0.0 108.79 . . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . 0.591 ' N ' ' SD ' ' A' ' 0' ' ' MET . 36.2 m -77.24 123.99 27.22 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 120.931 -1.105 . . . . 0.0 109.084 179.676 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 13.9 pt-20 -66.44 -39.24 88.77 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.318 -0.864 . . . . 0.0 110.535 -179.329 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 25.2 tp -59.88 -44.98 93.89 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 120.903 -1.123 . . . . 0.0 108.883 -179.419 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 39.3 mm-40 -59.99 -40.23 88.44 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.308 -0.87 . . . . 0.0 109.906 -179.325 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 59.8 tttm -62.17 -40.03 94.65 Favored 'General case' 0 C--N 1.302 -1.459 0 O-C-N 121.119 -0.988 . . . . 0.0 109.595 -179.521 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -69.54 -40.05 77.08 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.101 -0.999 . . . . 0.0 109.501 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 9.7 ttp -66.78 -40.01 88.01 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.161 -0.962 . . . . 0.0 108.792 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 54.5 t -67.43 -39.96 83.62 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.565 0 O-C-N 121.416 -0.802 . . . . 0.0 109.221 179.209 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -57.02 -39.97 75.77 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.239 -0.913 . . . . 0.0 109.988 -178.737 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 98.0 mt -60.11 -42.74 95.39 Favored 'General case' 0 C--N 1.301 -1.501 0 O-C-N 120.754 -1.216 . . . . 0.0 108.398 179.489 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 93.3 mt -73.65 -42.34 55.15 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.62 0 O-C-N 121.339 -0.851 . . . . 0.0 110.087 179.24 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -69.95 -40.57 75.39 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.24 -0.912 . . . . 0.0 110.202 -179.039 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 54.5 t -65.2 -39.95 87.13 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.668 0 O-C-N 121.334 -0.854 . . . . 0.0 109.666 -179.873 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 46.7 t80 -59.95 -44.21 94.54 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.203 -0.936 . . . . 0.0 109.646 -179.005 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 3.9 m-70 -61.57 -49.09 78.05 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.109 -0.994 . . . . 0.0 109.639 -179.94 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 4.7 tp-100 -69.91 -41.19 75.02 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.371 -0.831 . . . . 0.0 110.037 -179.706 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 9.5 t80 -69.92 -40.01 75.82 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.111 -0.993 . . . . 0.0 109.487 -179.287 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . 0.497 ' C ' ' H ' ' A' ' 20' ' ' ARG . 59.2 p -71.42 -37.06 71.49 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.124 -0.985 . . . . 0.0 109.953 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -68.39 15.54 0.58 Allowed Glycine 0 N--CA 1.493 2.469 0 N-CA-C 110.382 -1.087 . . . . 0.0 110.382 -179.147 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.497 ' H ' ' C ' ' A' ' 18' ' ' SER . 1.5 tpt180 -60.01 -40.08 88.04 Favored 'General case' 0 C--N 1.3 -1.55 0 O-C-N 121.128 -1.219 . . . . 0.0 109.117 -179.829 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -135.61 -164.65 1.57 Allowed 'General case' 0 N--CA 1.498 1.96 0 O-C-N 121.465 -0.772 . . . . 0.0 109.716 -179.57 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -58.79 -29.04 63.95 Favored Glycine 0 N--CA 1.491 2.303 0 N-CA-C 110.441 -1.064 . . . . 0.0 110.441 -179.579 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 84.2 m-20 -70.17 103.54 2.36 Favored 'General case' 0 N--CA 1.494 1.749 0 O-C-N 120.885 -1.362 . . . . 0.0 109.382 -179.721 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 47.6 tttp -103.4 -34.54 8.7 Favored 'General case' 0 N--CA 1.499 1.986 0 O-C-N 121.45 -0.781 . . . . 0.0 110.648 -179.228 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 91.4 m-70 -94.53 -1.07 54.08 Favored 'General case' 0 N--CA 1.501 2.104 0 O-C-N 120.793 -1.192 . . . . 0.0 111.593 -178.272 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 58.9 pttt -150.82 161.69 42.18 Favored 'General case' 0 N--CA 1.499 1.988 0 O-C-N 120.48 -1.388 . . . . 0.0 110.78 -179.621 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 84.7 mt -115.91 137.12 52.4 Favored 'General case' 0 N--CA 1.498 1.952 0 N-CA-C 108.967 -0.753 . . . . 0.0 108.967 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 8.7 mtmp? -94.96 179.78 5.11 Favored 'General case' 0 N--CA 1.497 1.913 0 O-C-N 121.09 -1.006 . . . . 0.0 109.342 179.87 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 34.6 ttmt -59.97 -40.06 87.79 Favored 'General case' 0 N--CA 1.495 1.794 0 O-C-N 121.339 -0.851 . . . . 0.0 110.668 -179.3 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . 0.43 ' OG ' ' OE1' ' A' ' 31' ' ' GLU . 91.7 p -59.9 -40.04 87.4 Favored 'General case' 0 N--CA 1.494 1.774 0 O-C-N 120.952 -1.092 . . . . 0.0 110.464 -178.64 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.55 ' OE1' ' N ' ' A' ' 31' ' ' GLU . 7.6 mp0 -66.84 -37.29 84.2 Favored 'General case' 0 C--N 1.299 -1.621 0 O-C-N 120.891 -1.131 . . . . 0.0 109.765 179.916 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 28.9 tp -60.0 -47.66 84.9 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.411 -0.806 . . . . 0.0 111.311 -177.752 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 51.4 pttt -69.36 -35.15 75.56 Favored 'General case' 0 N--CA 1.496 1.825 0 O-C-N 120.593 -1.317 . . . . 0.0 110.265 -178.423 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 24.9 mm-40 -61.43 -40.3 93.94 Favored 'General case' 0 N--CA 1.498 1.925 0 O-C-N 120.87 -1.144 . . . . 0.0 110.403 179.806 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 9.9 tp -60.07 -45.46 92.8 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.056 -1.027 . . . . 0.0 109.447 -179.161 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 96.1 mt -61.49 -40.01 84.93 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.632 0 O-C-N 121.276 -0.89 . . . . 0.0 111.917 -178.72 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 83.3 m-20 -67.19 -62.76 1.27 Allowed 'General case' 0 N--CA 1.496 1.865 0 O-C-N 120.937 -1.102 . . . . 0.0 113.951 -176.3 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 33.2 p-10 -81.6 -21.52 38.3 Favored 'General case' 0 N--CA 1.502 2.169 0 N-CA-C 114.448 1.277 . . . . 0.0 114.448 -175.887 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 63.3 mm-40 -92.33 -1.64 56.92 Favored 'General case' 0 N--CA 1.506 2.325 0 O-C-N 120.107 -1.621 . . . . 0.0 111.471 -177.916 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.45 ' N ' ' CD2' ' A' ' 40' ' ' LEU . 1.2 mm? -99.86 120.44 39.77 Favored 'General case' 0 N--CA 1.5 2.041 0 O-C-N 120.992 -1.068 . . . . 0.0 108.684 179.101 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 18.4 p -77.35 -62.34 1.69 Allowed 'General case' 0 N--CA 1.488 1.444 0 O-C-N 121.47 -0.769 . . . . 0.0 110.262 -179.293 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 65.4 m80 -142.13 -5.38 0.99 Allowed 'General case' 0 N--CA 1.498 1.971 0 O-C-N 121.128 -0.982 . . . . 0.0 110.447 -179.356 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 42.8 m-85 -60.07 -41.22 91.92 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 120.925 -1.11 . . . . 0.0 109.743 -179.481 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 22.4 mt -142.3 -85.68 0.16 Allowed 'General case' 0 N--CA 1.5 2.07 0 O-C-N 121.139 -0.976 . . . . 0.0 109.58 -179.564 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.408 ' O ' ' OE1' ' A' ' 45' ' ' GLU . 2.1 tm-20 61.19 20.58 11.11 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.303 -0.873 . . . . 0.0 109.572 -179.704 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 12.8 tp10 -98.47 -138.59 0.3 Allowed 'General case' 0 N--CA 1.499 1.991 0 O-C-N 121.214 -0.929 . . . . 0.0 109.096 179.888 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 65.7 mt 58.67 113.67 0.02 OUTLIER 'Isoleucine or valine' 0 N--CA 1.498 1.937 0 O-C-N 121.694 -0.628 . . . . 0.0 111.144 178.863 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 26.8 mttm -131.48 -34.17 1.4 Allowed 'General case' 0 N--CA 1.499 2.023 0 O-C-N 121.48 -0.762 . . . . 0.0 109.496 178.737 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 30.1 mp0 -86.87 145.53 26.54 Favored 'General case' 0 N--CA 1.498 1.929 0 O-C-N 121.045 -1.034 . . . . 0.0 110.307 -179.706 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 21.9 mp0 -68.98 -31.13 69.75 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.47 -0.769 . . . . 0.0 109.655 -179.905 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 -59.91 -40.09 87.63 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.216 -0.928 . . . . 0.0 109.634 -179.112 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 54.0 t -60.86 -42.73 93.66 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.617 0 O-C-N 121.223 -0.923 . . . . 0.0 109.789 -179.762 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 55.8 t -66.38 -43.13 91.43 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.622 0 O-C-N 121.059 -1.025 . . . . 0.0 109.913 -179.471 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 58.9 t0 -59.99 -43.68 94.99 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.168 -0.957 . . . . 0.0 109.812 -179.115 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 17.6 tptm -68.59 -40.62 80.43 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.2 -0.938 . . . . 0.0 109.803 -179.37 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 54.4 t -69.89 -47.98 66.37 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.706 0 O-C-N 121.209 -0.932 . . . . 0.0 110.18 -179.74 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -60.07 -40.09 88.28 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.037 -1.039 . . . . 0.0 109.805 -179.292 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 86.3 tt0 -62.91 -40.23 96.96 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.197 -0.94 . . . . 0.0 109.912 -179.891 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 94.5 m -69.95 -40.19 75.59 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.345 -0.847 . . . . 0.0 110.757 -179.233 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 60.6 tp -63.94 -39.99 95.42 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.023 -1.048 . . . . 0.0 110.076 -178.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 34.8 m-20 -73.17 99.94 2.95 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 120.858 -1.151 . . . . 0.0 109.507 -179.206 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 49.7 tp10 -64.07 -39.99 95.27 Favored 'General case' 0 C--N 1.302 -1.482 0 O-C-N 121.55 -0.718 . . . . 0.0 109.755 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 45.6 p-10 -86.61 -6.41 58.88 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 121.14 -0.975 . . . . 0.0 109.92 -179.366 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 55.19 44.6 84.05 Favored Glycine 0 N--CA 1.491 2.324 0 N-CA-C 109.896 -1.281 . . . . 0.0 109.896 179.642 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . 0.434 ' OD2' ' O ' ' A' ' 67' ' ' GLU . 50.9 p-10 -72.52 -9.96 59.2 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.004 -1.292 . . . . 0.0 109.156 179.93 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 73.77 5.6 69.72 Favored Glycine 0 N--CA 1.492 2.386 0 N-CA-C 110.41 -1.076 . . . . 0.0 110.41 178.885 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.434 ' O ' ' OD2' ' A' ' 65' ' ' ASP . 12.7 pt-20 -149.58 159.25 44.48 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.043 -1.269 . . . . 0.0 109.615 -179.902 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 79.4 m -105.95 111.23 23.79 Favored 'General case' 0 N--CA 1.496 1.839 0 O-C-N 121.489 -0.757 . . . . 0.0 109.072 179.793 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . 0.494 ' OD1' ' N ' ' A' ' 70' ' ' PHE . 10.3 t70 -89.38 178.38 6.34 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.374 -0.829 . . . . 0.0 109.332 -179.916 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' PHE . . . . . 0.494 ' N ' ' OD1' ' A' ' 69' ' ' ASP . 70.8 t80 -59.96 -46.0 90.83 Favored 'General case' 0 C--N 1.302 -1.475 0 O-C-N 121.203 -0.935 . . . . 0.0 109.433 -179.531 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 60.6 tt0 -61.71 -40.04 93.63 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.034 -1.041 . . . . 0.0 108.683 178.904 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 73.9 mm-40 -59.99 -37.43 79.65 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.476 -0.765 . . . . 0.0 109.915 179.873 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 64.1 t80 -59.68 -44.43 93.63 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.148 -0.97 . . . . 0.0 109.359 -179.087 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 11.6 tpt -59.98 -40.05 87.79 Favored 'General case' 0 C--N 1.302 -1.484 0 N-CA-C 108.522 -0.918 . . . . 0.0 108.522 178.84 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -61.39 -36.34 80.0 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.582 -0.699 . . . . 0.0 110.432 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 26.0 t80 -59.98 -49.85 76.07 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 120.942 -1.099 . . . . 0.0 109.574 -178.784 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 95.7 t -62.59 -40.27 87.71 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.478 0 O-C-N 121.078 -1.014 . . . . 0.0 110.048 -179.601 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 79.8 p -64.15 -39.93 95.07 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.17 -0.956 . . . . 0.0 110.917 -178.923 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 4.2 tpt -60.02 -43.68 95.1 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 120.867 -1.146 . . . . 0.0 109.54 -179.442 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 72.3 t -69.93 -39.99 78.21 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.493 0 O-C-N 121.17 -0.956 . . . . 0.0 109.656 -179.735 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 94.3 m -67.45 -40.06 85.39 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.121 -0.987 . . . . 0.0 110.148 -179.369 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 33.1 p -65.59 -39.99 92.19 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.024 -1.048 . . . . 0.0 109.365 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -62.06 -39.89 93.92 Favored 'General case' 0 N--CA 1.487 1.415 0 O-C-N 121.367 -0.833 . . . . 0.0 109.077 179.433 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 19.1 t -76.89 130.39 37.51 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.364 -0.835 . . . . 0.0 109.497 179.884 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' HIS . . . . . 0.423 ' C ' ' N ' ' A' ' 87' ' ' PHE . 21.1 m170 -113.73 174.69 5.8 Favored 'General case' 0 N--CA 1.498 1.929 0 O-C-N 121.589 -0.694 . . . . 0.0 109.309 -179.788 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . 0.535 ' O ' ' N ' ' A' ' 88' ' ' PHE . 44.4 tp10 -50.0 -20.23 0.9 Allowed 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.201 -0.937 . . . . 0.0 108.489 179.525 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' PHE . . . . . 0.474 ' CD1' ' O ' ' A' ' 87' ' ' PHE . 51.6 t80 -46.87 -12.45 0.02 OUTLIER 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.605 -0.684 . . . . 0.0 109.863 179.355 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . 0.535 ' N ' ' O ' ' A' ' 86' ' ' GLU . 62.2 t80 -75.95 -9.45 58.62 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.307 -0.871 . . . . 0.0 110.408 -179.094 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 54.4 tp10 -61.67 120.63 11.0 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 120.844 -1.16 . . . . 0.0 108.32 179.43 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 90' ' ' HIS . . . . . 0.405 ' O ' ' OXT' ' A' ' 91' ' ' GLU . 67.7 t60 -110.55 -76.97 0.6 Allowed 'General case' 0 N--CA 1.5 2.062 0 O-C-N 121.403 -0.811 . . . . 0.0 109.779 -179.277 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . 0.405 ' OXT' ' O ' ' A' ' 90' ' ' HIS . 88.0 tt0 . . . . . 0 N--CA 1.492 1.663 0 CA-C-O 117.993 -1.003 . . . . 0.0 109.471 -179.774 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 0' ' ' MET . . . . . 0.593 ' SD ' ' N ' ' B' ' 1' ' ' SER . 0.0 OUTLIER . . . . . 0 N--CA 1.489 1.507 0 N-CA-C 108.601 -0.889 . . . . 0.0 108.601 . . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 1' ' ' SER . . . . . 0.593 ' N ' ' SD ' ' B' ' 0' ' ' MET . 26.9 m -77.11 124.75 28.26 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 120.897 -1.127 . . . . 0.0 108.918 179.707 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 13.9 pt-20 -67.27 -38.91 85.88 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.334 -0.854 . . . . 0.0 110.493 -179.289 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 28.3 tp -59.99 -44.83 94.26 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 120.908 -1.12 . . . . 0.0 108.892 -179.491 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 39.8 mm-40 -60.22 -40.1 89.0 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.216 -0.928 . . . . 0.0 109.983 -179.362 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 59.9 tttm -62.15 -39.93 94.25 Favored 'General case' 0 C--N 1.302 -1.467 0 O-C-N 121.228 -0.92 . . . . 0.0 109.845 -179.744 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -69.64 -39.97 76.79 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.115 -0.991 . . . . 0.0 109.465 179.911 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 7' ' ' MET . . . . . . . . . . . . . 11.0 ttp -66.86 -40.01 87.75 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.311 -0.868 . . . . 0.0 108.729 -179.747 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 54.6 t -67.55 -40.05 83.56 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.622 0 O-C-N 121.423 -0.798 . . . . 0.0 109.186 179.272 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -57.02 -40.06 75.96 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.307 -0.871 . . . . 0.0 109.904 -178.622 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 93.8 mt -59.99 -42.98 95.41 Favored 'General case' 0 C--N 1.301 -1.506 0 O-C-N 120.904 -1.122 . . . . 0.0 108.467 179.4 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 91.8 mt -73.25 -42.65 57.9 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.589 0 O-C-N 121.44 -0.787 . . . . 0.0 110.043 179.252 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -69.71 -40.66 76.14 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.275 -0.89 . . . . 0.0 110.19 -179.023 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 54.6 t -65.07 -39.98 87.43 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.558 0 O-C-N 121.153 -0.967 . . . . 0.0 109.672 -179.87 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 14' ' ' PHE . . . . . . . . . . . . . 47.5 t80 -60.04 -44.27 94.76 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.242 -0.911 . . . . 0.0 109.615 -178.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 3.8 m-70 -61.47 -49.08 78.22 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.105 -0.997 . . . . 0.0 109.51 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 4.6 tp-100 -70.02 -40.97 74.89 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.375 -0.828 . . . . 0.0 110.071 -179.647 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 9.6 t80 -69.95 -40.09 75.65 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.299 -0.876 . . . . 0.0 109.352 -179.319 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 18' ' ' SER . . . . . 0.506 ' C ' ' H ' ' B' ' 20' ' ' ARG . 60.6 p -71.32 -37.09 71.78 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.113 -0.992 . . . . 0.0 110.054 -179.911 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -68.27 15.39 0.57 Allowed Glycine 0 N--CA 1.493 2.492 0 N-CA-C 110.368 -1.093 . . . . 0.0 110.368 -179.121 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 20' ' ' ARG . . . . . 0.506 ' H ' ' C ' ' B' ' 18' ' ' SER . 1.4 tpt180 -59.97 -40.04 87.73 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 121.119 -1.224 . . . . 0.0 109.061 -179.793 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -135.49 -163.97 1.47 Allowed 'General case' 0 N--CA 1.496 1.871 0 O-C-N 121.465 -0.772 . . . . 0.0 109.844 -179.601 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . -59.54 -28.56 65.26 Favored Glycine 0 N--CA 1.493 2.476 0 N-CA-C 110.269 -1.133 . . . . 0.0 110.269 -179.471 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 83.9 m-20 -70.61 104.03 2.69 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 120.962 -1.316 . . . . 0.0 109.286 -179.827 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 45.2 tttp -104.02 -34.27 8.5 Favored 'General case' 0 N--CA 1.496 1.841 0 O-C-N 121.549 -0.72 . . . . 0.0 110.687 -179.248 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 25' ' ' HIS . . . . . . . . . . . . . 91.2 m-70 -94.71 -1.05 53.77 Favored 'General case' 0 N--CA 1.5 2.053 0 O-C-N 120.902 -1.124 . . . . 0.0 111.56 -178.32 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 59.2 pttt -150.75 162.05 41.46 Favored 'General case' 0 N--CA 1.499 2.02 0 O-C-N 120.568 -1.333 . . . . 0.0 110.737 -179.734 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 81.3 mt -116.24 137.26 52.29 Favored 'General case' 0 N--CA 1.498 1.931 0 N-CA-C 108.954 -0.758 . . . . 0.0 108.954 179.83 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 8.4 mtmp? -95.05 179.77 5.1 Favored 'General case' 0 N--CA 1.496 1.833 0 O-C-N 121.171 -0.956 . . . . 0.0 109.428 179.871 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 36.0 ttmt -60.06 -39.96 87.79 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.415 -0.803 . . . . 0.0 110.69 -179.273 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 30' ' ' SER . . . . . 0.434 ' OG ' ' OE1' ' B' ' 31' ' ' GLU . 96.6 p -59.87 -40.1 87.49 Favored 'General case' 0 N--CA 1.495 1.802 0 O-C-N 120.851 -1.156 . . . . 0.0 110.393 -178.597 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 31' ' ' GLU . . . . . 0.574 ' OE1' ' N ' ' B' ' 31' ' ' GLU . 7.7 mp0 -66.93 -37.08 83.66 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 120.759 -1.213 . . . . 0.0 109.804 179.904 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 36.9 tp -59.99 -47.7 84.73 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.298 -0.876 . . . . 0.0 111.122 -177.749 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 52.6 pttt -69.57 -34.82 74.71 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 120.577 -1.327 . . . . 0.0 110.397 -178.401 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 24.2 mm-40 -61.69 -40.43 94.97 Favored 'General case' 0 N--CA 1.497 1.898 0 O-C-N 120.805 -1.184 . . . . 0.0 110.364 179.777 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 9.6 tp -59.94 -46.09 90.51 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 120.976 -1.078 . . . . 0.0 109.411 -179.231 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 36' ' ' ILE . . . . . 0.419 HG21 HD12 ' B' ' 47' ' ' ILE . 87.4 mt -60.69 -40.07 83.62 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.757 0 O-C-N 121.288 -0.883 . . . . 0.0 111.892 -178.79 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 83.4 m-20 -67.53 -62.84 1.22 Allowed 'General case' 0 N--CA 1.497 1.923 0 N-CA-C 114.064 1.135 . . . . 0.0 114.064 -176.403 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 33.9 p-10 -81.51 -21.89 38.31 Favored 'General case' 0 N--CA 1.502 2.164 0 O-C-N 120.716 -1.24 . . . . 0.0 114.317 -175.79 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 63.9 mm-40 -92.03 -1.71 57.08 Favored 'General case' 0 N--CA 1.506 2.339 0 O-C-N 120.107 -1.621 . . . . 0.0 111.471 -177.909 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 40' ' ' LEU . . . . . 0.445 ' CD2' ' N ' ' B' ' 40' ' ' LEU . 1.2 mm? -99.8 120.41 39.7 Favored 'General case' 0 N--CA 1.501 2.104 0 O-C-N 120.974 -1.079 . . . . 0.0 108.654 179.048 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 17.7 p -77.21 -62.46 1.65 Allowed 'General case' 0 N--CA 1.486 1.361 0 O-C-N 121.438 -0.789 . . . . 0.0 110.297 -179.347 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 42' ' ' HIS . . . . . . . . . . . . . 65.9 m80 -142.15 -5.29 0.99 Allowed 'General case' 0 N--CA 1.497 1.914 0 O-C-N 121.085 -1.01 . . . . 0.0 110.52 -179.378 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 43.5 m-85 -60.0 -41.34 91.89 Favored 'General case' 0 N--CA 1.494 1.733 0 O-C-N 120.877 -1.139 . . . . 0.0 109.764 -179.576 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 25.3 mt -142.07 -86.06 0.17 Allowed 'General case' 0 N--CA 1.502 2.126 0 O-C-N 121.1 -1.0 . . . . 0.0 109.538 -179.389 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 2.1 tm-20 61.45 20.7 11.4 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.388 -0.82 . . . . 0.0 109.46 -179.769 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 12.7 tp10 -98.86 -138.78 0.31 Allowed 'General case' 0 N--CA 1.499 2.015 0 O-C-N 121.2 -0.937 . . . . 0.0 109.036 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 47' ' ' ILE . . . . . 0.419 HD12 HG21 ' B' ' 36' ' ' ILE . 64.4 mt 58.88 113.47 0.02 OUTLIER 'Isoleucine or valine' 0 N--CA 1.498 1.953 0 O-C-N 121.72 -0.613 . . . . 0.0 111.26 178.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 27.0 mttm -131.35 -34.32 1.41 Allowed 'General case' 0 N--CA 1.501 2.115 0 O-C-N 121.538 -0.726 . . . . 0.0 109.428 178.741 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 30.3 mp0 -86.71 145.37 26.7 Favored 'General case' 0 N--CA 1.498 1.951 0 O-C-N 121.063 -1.023 . . . . 0.0 110.146 -179.652 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 21.8 mp0 -68.92 -31.1 69.76 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.474 -0.766 . . . . 0.0 109.674 -179.883 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -60.01 -40.04 87.9 Favored 'General case' 0 N--CA 1.488 1.464 0 O-C-N 121.227 -0.921 . . . . 0.0 109.531 -178.954 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 54.1 t -60.91 -42.6 93.35 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.64 0 O-C-N 121.215 -0.928 . . . . 0.0 109.794 -179.913 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 54.2 t -66.71 -42.87 90.15 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.628 0 O-C-N 121.043 -1.035 . . . . 0.0 109.904 -179.488 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 58.8 t0 -60.13 -43.26 95.82 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.246 -0.909 . . . . 0.0 109.695 -179.133 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 17.7 tptm -69.22 -40.26 78.07 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.083 -1.011 . . . . 0.0 109.722 -179.266 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 54.4 t -70.05 -47.76 66.51 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.622 0 O-C-N 121.148 -0.97 . . . . 0.0 110.238 -179.831 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 57' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -60.07 -40.34 89.15 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.089 -1.007 . . . . 0.0 109.872 -179.293 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 86.3 tt0 -62.58 -40.2 96.13 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.215 -0.928 . . . . 0.0 109.927 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 94.3 m -69.95 -40.24 75.55 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.322 -0.861 . . . . 0.0 110.764 -179.124 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 60.7 tp -63.91 -40.04 95.57 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 121.051 -1.031 . . . . 0.0 110.101 -178.782 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 36.1 m-20 -73.2 99.4 2.83 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 120.971 -1.081 . . . . 0.0 109.618 -179.23 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 49.8 tp10 -63.42 -39.94 95.84 Favored 'General case' 0 C--N 1.304 -1.383 0 O-C-N 121.575 -0.703 . . . . 0.0 109.826 179.895 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 46.0 p-10 -86.74 -6.28 58.87 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.076 -1.015 . . . . 0.0 109.904 -179.322 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 55.8 43.53 87.02 Favored Glycine 0 N--CA 1.49 2.275 0 N-CA-C 109.983 -1.247 . . . . 0.0 109.983 179.483 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 65' ' ' ASP . . . . . 0.438 ' OD2' ' O ' ' B' ' 67' ' ' GLU . 50.4 p-10 -72.01 -9.98 59.13 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 120.972 -1.31 . . . . 0.0 109.271 -179.796 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 73.97 5.1 69.25 Favored Glycine 0 N--CA 1.492 2.408 0 N-CA-C 110.543 -1.023 . . . . 0.0 110.543 178.878 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 67' ' ' GLU . . . . . 0.438 ' O ' ' OD2' ' B' ' 65' ' ' ASP . 12.6 pt-20 -149.26 159.39 44.31 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 120.98 -1.306 . . . . 0.0 109.536 -179.785 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 68' ' ' CYS . . . . . . . . . . . . . 81.7 m -106.12 111.33 23.9 Favored 'General case' 0 N--CA 1.496 1.841 0 O-C-N 121.47 -0.769 . . . . 0.0 109.14 179.783 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 69' ' ' ASP . . . . . 0.491 ' OD1' ' N ' ' B' ' 70' ' ' PHE . 10.3 t70 -89.37 178.52 6.31 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.39 -0.819 . . . . 0.0 109.488 -179.838 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 70' ' ' PHE . . . . . 0.491 ' N ' ' OD1' ' B' ' 69' ' ' ASP . 71.7 t80 -60.06 -45.96 91.14 Favored 'General case' 0 C--N 1.303 -1.456 0 O-C-N 121.288 -0.882 . . . . 0.0 109.352 -179.495 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 61.0 tt0 -61.89 -40.04 94.04 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.015 -1.053 . . . . 0.0 108.633 179.038 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 73.7 mm-40 -59.99 -37.26 79.15 Favored 'General case' 0 N--CA 1.494 1.743 0 O-C-N 121.528 -0.732 . . . . 0.0 109.973 179.891 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 73' ' ' PHE . . . . . . . . . . . . . 64.0 t80 -59.9 -44.38 94.3 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.192 -0.943 . . . . 0.0 109.262 -179.091 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 74' ' ' MET . . . . . . . . . . . . . 11.7 tpt -60.0 -40.09 88.01 Favored 'General case' 0 C--N 1.302 -1.484 0 O-C-N 121.154 -0.966 . . . . 0.0 108.468 178.826 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -61.33 -36.5 80.32 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.561 -0.712 . . . . 0.0 110.43 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 28.1 t80 -59.91 -49.82 76.19 Favored 'General case' 0 N--CA 1.495 1.796 0 O-C-N 121.056 -1.027 . . . . 0.0 109.535 -178.666 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 77' ' ' VAL . . . . . . . . . . . . . 96.1 t -62.51 -40.15 87.1 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.508 0 O-C-N 121.245 -0.909 . . . . 0.0 110.126 -179.764 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 78' ' ' SER . . . . . . . . . . . . . 78.7 p -64.27 -39.99 95.06 Favored 'General case' 0 N--CA 1.494 1.767 0 O-C-N 121.295 -0.878 . . . . 0.0 110.903 -178.925 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 79' ' ' MET . . . . . . . . . . . . . 4.3 tpt -59.97 -43.92 94.78 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 120.981 -1.075 . . . . 0.0 109.471 -179.39 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 71.8 t -69.78 -39.98 78.53 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.499 0 O-C-N 121.28 -0.888 . . . . 0.0 109.645 -179.698 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 94.3 m -67.49 -40.41 85.24 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.146 -0.971 . . . . 0.0 110.215 -179.451 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 33.9 p -65.25 -39.9 93.27 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.024 -1.047 . . . . 0.0 109.244 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -62.17 -39.98 94.47 Favored 'General case' 0 N--CA 1.488 1.448 0 O-C-N 121.315 -0.866 . . . . 0.0 109.128 179.64 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 84' ' ' CYS . . . . . . . . . . . . . 19.5 t -76.75 130.69 38.06 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.349 -0.844 . . . . 0.0 109.411 179.84 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 85' ' ' HIS . . . . . 0.411 ' C ' ' N ' ' B' ' 87' ' ' PHE . 21.6 m170 -114.09 174.74 5.79 Favored 'General case' 0 N--CA 1.498 1.974 0 O-C-N 121.62 -0.675 . . . . 0.0 109.279 -179.744 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 86' ' ' GLU . . . . . 0.533 ' O ' ' N ' ' B' ' 88' ' ' PHE . 44.3 tp10 -50.02 -20.13 0.88 Allowed 'General case' 0 N--CA 1.492 1.658 0 N-CA-C 108.489 -0.93 . . . . 0.0 108.489 179.538 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 87' ' ' PHE . . . . . 0.479 ' O ' ' CD1' ' B' ' 87' ' ' PHE . 51.8 t80 -46.95 -12.24 0.02 OUTLIER 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.545 -0.722 . . . . 0.0 109.801 179.254 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 88' ' ' PHE . . . . . 0.533 ' N ' ' O ' ' B' ' 86' ' ' GLU . 62.8 t80 -76.01 -9.07 58.32 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.159 -0.963 . . . . 0.0 110.445 -179.189 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 54.4 tp10 -62.21 120.59 11.22 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 120.857 -1.152 . . . . 0.0 108.274 179.522 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 90' ' ' HIS . . . . . . . . . . . . . 65.7 t60 -109.86 -80.01 0.58 Allowed 'General case' 0 N--CA 1.5 2.051 0 O-C-N 121.528 -0.733 . . . . 0.0 109.426 -179.18 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 88.1 tt0 . . . . . 0 N--CA 1.492 1.634 0 CA-C-O 117.816 -1.088 . . . . 0.0 109.526 -179.649 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 92' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 93' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' B' B ' 92' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' B' B ' 93' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 95.4 mtp . . . . . 0 N--CA 1.489 1.515 0 N-CA-C 109.255 -0.646 . . . . 0.0 109.255 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 8.9 m -148.12 178.89 8.17 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.331 -0.856 . . . . 0.0 109.42 -179.634 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -59.99 -34.48 73.38 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.218 -0.926 . . . . 0.0 109.858 -179.518 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 7.4 tt -59.87 -44.53 94.12 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.176 -0.952 . . . . 0.0 109.622 -178.454 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 87.5 tt0 -61.16 -42.47 98.62 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.003 -1.061 . . . . 0.0 109.7 179.822 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 77.3 mttt -62.09 -40.0 94.38 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.184 -0.947 . . . . 0.0 109.861 -179.814 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -59.99 -40.0 87.63 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.277 -0.889 . . . . 0.0 109.724 -179.349 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 92.7 mtp -60.08 -40.34 89.2 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 120.986 -1.071 . . . . 0.0 109.201 179.757 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 55.3 t -69.96 -40.03 78.18 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.482 0 O-C-N 121.238 -0.913 . . . . 0.0 109.475 179.334 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -62.43 -40.31 96.15 Favored 'General case' 0 N--CA 1.494 1.773 0 O-C-N 121.215 -0.928 . . . . 0.0 110.672 -179.357 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 60.6 tp -60.09 -43.48 95.51 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.138 -0.976 . . . . 0.0 110.563 -179.261 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 88.2 mt -65.76 -40.08 86.7 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.658 0 O-C-N 121.051 -1.03 . . . . 0.0 110.773 -179.038 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 96.0 m-20 -62.64 -41.93 99.32 Favored 'General case' 0 N--CA 1.497 1.913 0 O-C-N 120.816 -1.178 . . . . 0.0 111.083 -179.08 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 54.5 t -63.4 -40.03 87.53 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.766 0 O-C-N 121.066 -1.021 . . . . 0.0 109.859 -179.506 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . 0.472 ' CZ ' HD13 ' A' ' 27' ' ' LEU . 62.0 t80 -60.03 -42.6 94.76 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.328 -0.858 . . . . 0.0 110.541 -178.79 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 51.7 t60 -64.57 -39.97 94.72 Favored 'General case' 0 N--CA 1.495 1.812 0 O-C-N 121.278 -0.889 . . . . 0.0 111.024 -178.868 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 66.2 mm-40 -59.98 -40.05 87.78 Favored 'General case' 0 N--CA 1.498 1.962 0 O-C-N 120.766 -1.209 . . . . 0.0 111.36 -178.669 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 7.3 m-85 -68.53 -35.76 77.89 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 120.792 -1.192 . . . . 0.0 109.857 -179.468 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 5.1 t -60.08 -38.77 83.87 Favored 'General case' 0 C--N 1.299 -1.626 0 O-C-N 121.034 -1.042 . . . . 0.0 110.097 -179.341 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -74.78 7.21 21.64 Favored Glycine 0 N--CA 1.493 2.484 0 C-N-CA 120.173 -1.013 . . . . 0.0 111.326 -178.87 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 8.6 mmm180 -59.96 -50.06 75.23 Favored 'General case' 0 N--CA 1.498 1.949 0 O-C-N 120.557 -1.555 . . . . 0.0 109.537 -179.889 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 74.7 mm-40 -103.28 9.41 38.07 Favored 'General case' 0 N--CA 1.496 1.831 0 O-C-N 121.264 -0.898 . . . . 0.0 109.283 -179.742 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 86.46 1.62 85.71 Favored Glycine 0 N--CA 1.491 2.303 0 N-CA-C 108.873 -1.691 . . . . 0.0 108.873 -179.601 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 89.4 m-20 -85.6 82.79 8.1 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.326 -1.102 . . . . 0.0 108.809 179.886 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 9.4 mtmp? -86.48 90.87 8.36 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.325 -0.859 . . . . 0.0 109.09 -179.89 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 3.2 t-160 -173.22 -60.74 0.02 OUTLIER 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.46 -0.775 . . . . 0.0 109.131 -179.897 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 48.1 pttt -148.69 160.13 43.46 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.498 -0.751 . . . . 0.0 109.324 -179.71 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.472 HD13 ' CZ ' ' A' ' 14' ' ' PHE . 8.2 mp -98.62 136.18 39.07 Favored 'General case' 0 N--CA 1.497 1.916 0 O-C-N 121.207 -0.933 . . . . 0.0 109.716 -179.148 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 16.6 pttp -94.86 169.14 10.35 Favored 'General case' 0 N--CA 1.495 1.799 0 O-C-N 121.492 -0.755 . . . . 0.0 109.278 179.549 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 23.5 pttm -60.09 -35.14 74.54 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.279 -0.888 . . . . 0.0 110.759 -178.804 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 18.7 t -60.05 -42.09 93.74 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 120.739 -1.226 . . . . 0.0 108.629 -179.628 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 -69.99 -32.52 70.76 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.237 -0.914 . . . . 0.0 109.149 178.523 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 12.2 tp -59.98 -39.96 87.48 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.326 -0.859 . . . . 0.0 109.329 -179.434 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 21.0 tptm -58.56 -46.0 87.8 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 120.927 -1.108 . . . . 0.0 109.381 179.88 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 53.6 tp10 -66.56 -44.19 82.98 Favored 'General case' 0 C--N 1.302 -1.458 0 O-C-N 121.039 -1.038 . . . . 0.0 109.761 179.882 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 4.8 tt -60.11 -50.03 75.32 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.305 -0.872 . . . . 0.0 111.043 -179.164 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 93.3 mt -60.69 -45.91 96.76 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.654 0 O-C-N 121.011 -1.056 . . . . 0.0 109.943 -179.266 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 21.1 t-20 -67.3 -44.2 79.82 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 120.99 -1.069 . . . . 0.0 110.048 -179.848 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -67.82 -39.99 83.88 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.409 -0.807 . . . . 0.0 110.977 -178.842 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 46.6 tp10 -80.11 -71.34 0.46 Allowed 'General case' 0 N--CA 1.494 1.731 0 O-C-N 120.975 -1.078 . . . . 0.0 110.626 -178.871 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 18.0 mt -100.86 127.16 47.43 Favored 'General case' 0 N--CA 1.496 1.864 0 O-C-N 121.416 -0.802 . . . . 0.0 109.839 -178.938 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.3 t -139.95 -46.76 0.44 Allowed 'General case' 0 N--CA 1.493 1.687 0 N-CA-C 108.285 -1.005 . . . . 0.0 108.285 178.835 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -60.84 -41.87 96.65 Favored 'General case' 0 N--CA 1.488 1.458 0 O-C-N 121.476 -0.765 . . . . 0.0 109.455 179.767 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 64.4 m-85 -70.0 -39.95 75.58 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 120.971 -1.081 . . . . 0.0 109.27 179.778 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 37.6 mt -128.95 125.77 38.19 Favored 'General case' 0 N--CA 1.5 2.066 0 O-C-N 121.551 -0.718 . . . . 0.0 109.11 179.815 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 15.6 pt-20 -146.92 15.06 1.19 Allowed 'General case' 0 N--CA 1.494 1.766 0 O-C-N 121.07 -1.019 . . . . 0.0 109.347 179.538 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 86.9 tt0 -87.42 -11.95 47.63 Favored 'General case' 0 N--CA 1.494 1.733 0 O-C-N 121.347 -0.845 . . . . 0.0 109.986 -179.59 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 88.4 mt -74.06 128.44 36.38 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.635 0 O-C-N 120.846 -1.159 . . . . 0.0 109.727 -179.772 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 86.2 tttt -150.16 -45.37 0.13 Allowed 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.318 -0.864 . . . . 0.0 109.455 179.528 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 42.2 mt-10 -85.37 147.72 26.37 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.303 -0.873 . . . . 0.0 110.084 -179.348 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . 0.691 ' H ' ' NE2' ' A' ' 50' ' ' GLN . 0.0 OUTLIER -69.64 -27.54 65.13 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.51 -0.744 . . . . 0.0 110.001 -179.797 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 36.7 tt0 -59.97 -40.08 87.85 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.25 -0.906 . . . . 0.0 109.942 -179.322 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 54.4 t -61.61 -43.2 96.65 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.67 0 O-C-N 121.161 -0.962 . . . . 0.0 109.899 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 53.2 t -60.14 -39.99 82.16 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.617 0 O-C-N 121.045 -1.034 . . . . 0.0 109.901 -179.424 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 8.2 t70 -60.0 -44.85 94.27 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.132 -0.98 . . . . 0.0 109.817 -179.501 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 36.5 ttpt -60.06 -47.94 83.77 Favored 'General case' 0 C--N 1.301 -1.54 0 O-C-N 121.179 -0.951 . . . . 0.0 109.571 179.686 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 53.4 t -69.94 -40.77 79.1 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.477 0 O-C-N 121.185 -0.947 . . . . 0.0 109.292 -179.833 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 15.9 tpt -60.2 -46.71 88.79 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.282 -0.886 . . . . 0.0 109.924 -179.632 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 43.2 tt0 -60.02 -40.11 88.18 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.251 -0.905 . . . . 0.0 109.915 -179.172 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 88.9 m -62.95 -40.32 97.33 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.293 -0.88 . . . . 0.0 109.717 -179.373 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 6.3 tp -81.43 -14.39 57.14 Favored 'General case' 0 N--CA 1.494 1.766 0 O-C-N 121.222 -0.924 . . . . 0.0 110.057 -179.635 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . 0.506 ' OD1' ' N ' ' A' ' 64' ' ' GLY . 58.0 t0 -79.01 97.45 6.09 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 120.886 -1.134 . . . . 0.0 109.726 -179.385 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 86.9 tt0 -82.3 -29.35 31.19 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.345 -0.847 . . . . 0.0 109.471 179.652 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 69.2 m-20 -87.6 -9.23 54.89 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.287 -0.883 . . . . 0.0 109.817 -179.243 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . 0.506 ' N ' ' OD1' ' A' ' 61' ' ' ASP . . . 61.69 16.2 50.31 Favored Glycine 0 N--CA 1.489 2.215 0 N-CA-C 109.337 -1.505 . . . . 0.0 109.337 -179.95 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 37.9 p-10 -90.44 -4.22 57.14 Favored 'General case' 0 N--CA 1.494 1.773 0 O-C-N 121.163 -1.198 . . . . 0.0 110.024 -179.79 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 69.94 30.78 69.92 Favored Glycine 0 N--CA 1.493 2.437 0 N-CA-C 110.358 -1.097 . . . . 0.0 110.358 179.081 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -134.94 147.75 49.87 Favored 'General case' 0 N--CA 1.5 2.048 0 O-C-N 121.28 -1.129 . . . . 0.0 109.324 -179.761 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 8.3 t -104.33 114.92 29.47 Favored 'General case' 0 N--CA 1.5 2.047 0 O-C-N 121.454 -0.779 . . . . 0.0 109.485 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 89.5 m-20 -89.13 167.28 13.25 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.469 -0.769 . . . . 0.0 109.542 179.78 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 55.9 t80 -60.01 -45.76 91.69 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.371 -0.83 . . . . 0.0 109.222 179.732 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 7.8 tt0 -60.12 -46.23 90.32 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.219 -0.926 . . . . 0.0 108.647 179.176 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -62.13 -39.68 93.39 Favored 'General case' 0 N--CA 1.489 1.523 0 CA-C-O 121.506 0.67 . . . . 0.0 109.496 -179.942 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 64.2 t80 -59.99 -40.73 90.15 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.412 -0.805 . . . . 0.0 109.745 -179.607 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 20.6 ttm -59.99 -38.3 82.17 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.158 -0.964 . . . . 0.0 109.657 179.329 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -58.87 -39.94 82.87 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.276 -0.89 . . . . 0.0 109.896 -178.909 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 67.6 t80 -59.97 -48.39 81.88 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 120.993 -1.067 . . . . 0.0 108.895 179.49 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 98.8 t -60.9 -38.64 79.69 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.539 0 O-C-N 121.686 -0.634 . . . . 0.0 109.594 179.47 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 23.3 t -58.79 -40.01 82.75 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.319 -0.863 . . . . 0.0 110.43 -178.812 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 52.1 mtt -60.01 -40.0 87.78 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 120.918 -1.114 . . . . 0.0 109.982 -179.543 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 94.6 t -68.48 -40.05 81.56 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.564 0 O-C-N 121.043 -1.036 . . . . 0.0 109.857 -179.753 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . 0.501 ' O ' ' SG ' ' A' ' 84' ' ' CYS . 66.9 p -68.0 -40.01 83.12 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.083 -1.011 . . . . 0.0 110.605 -179.438 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 28.4 p -60.07 -39.92 87.73 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 120.836 -1.165 . . . . 0.0 109.504 -179.774 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -61.2 -29.14 69.63 Favored 'General case' 0 C--N 1.302 -1.484 0 O-C-N 121.303 -0.873 . . . . 0.0 109.79 -179.866 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' CYS . . . . . 0.501 ' SG ' ' O ' ' A' ' 81' ' ' THR . 1.5 p -66.41 138.25 57.44 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.187 -0.946 . . . . 0.0 110.084 -179.271 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' HIS . . . . . 0.529 ' O ' ' ND1' ' A' ' 85' ' ' HIS . 42.1 t-80 -108.15 25.3 11.78 Favored 'General case' 0 N--CA 1.501 2.088 0 O-C-N 121.514 -0.742 . . . . 0.0 109.29 179.711 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . 0.456 ' CB ' ' O ' ' A' ' 85' ' ' HIS . 7.0 tm-20 77.16 -28.17 0.17 Allowed 'General case' 0 N--CA 1.498 1.929 0 O-C-N 121.494 -0.754 . . . . 0.0 109.299 -179.871 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' PHE . . . . . 0.52 ' O ' ' CD2' ' A' ' 87' ' ' PHE . 61.7 t80 -87.1 -8.89 56.58 Favored 'General case' 0 N--CA 1.489 1.511 0 N-CA-C 108.451 -0.944 . . . . 0.0 108.451 178.954 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . 0.52 ' CZ ' ' OE2' ' A' ' 91' ' ' GLU . 38.6 t80 -72.1 88.75 1.12 Allowed 'General case' 0 N--CA 1.488 1.444 0 N-CA-C 108.78 -0.822 . . . . 0.0 108.78 -179.86 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . 0.507 ' OE2' ' NE2' ' A' ' 90' ' ' HIS . 39.0 tt0 -144.61 -91.39 0.1 Allowed 'General case' 0 N--CA 1.495 1.799 0 N-CA-C 108.719 -0.845 . . . . 0.0 108.719 179.944 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 90' ' ' HIS . . . . . 0.507 ' NE2' ' OE2' ' A' ' 89' ' ' GLU . 94.7 m-70 -63.25 138.27 58.48 Favored 'General case' 0 N--CA 1.488 1.463 0 O-C-N 121.267 -0.896 . . . . 0.0 108.889 179.674 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . 0.52 ' OE2' ' CZ ' ' A' ' 88' ' ' PHE . 98.1 mt-10 . . . . . 0 N--CA 1.496 1.865 0 CA-C-O 118.019 -0.991 . . . . 0.0 109.267 -179.838 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 0' ' ' MET . . . . . . . . . . . . . 96.8 mtp . . . . . 0 N--CA 1.489 1.493 0 CA-C-O 121.395 0.617 . . . . 0.0 109.416 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 14.4 m -148.58 178.85 8.27 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.442 -0.786 . . . . 0.0 109.416 -179.555 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 95.0 mt-10 -59.97 -35.03 74.13 Favored 'General case' 0 N--CA 1.494 1.748 0 O-C-N 121.195 -0.941 . . . . 0.0 109.876 -179.914 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 7.6 tt -59.62 -44.48 93.44 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.279 -0.888 . . . . 0.0 109.641 -178.509 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 85.7 tt0 -61.02 -42.71 98.98 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.108 -0.995 . . . . 0.0 109.722 179.762 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 79.7 mttt -62.11 -40.03 94.51 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.262 -0.898 . . . . 0.0 109.813 -179.711 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -59.91 -40.05 87.5 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.3 -0.875 . . . . 0.0 109.889 -179.447 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 7' ' ' MET . . . . . . . . . . . . . 93.3 mtp -60.04 -40.77 90.54 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 120.998 -1.064 . . . . 0.0 109.096 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 54.4 t -69.6 -40.08 79.08 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.509 0 O-C-N 121.239 -0.913 . . . . 0.0 109.388 179.616 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -62.52 -40.45 96.79 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.274 -0.891 . . . . 0.0 110.79 -179.293 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 60.5 tp -60.04 -42.86 95.34 Favored 'General case' 0 N--CA 1.494 1.771 0 O-C-N 121.097 -1.002 . . . . 0.0 110.47 -179.366 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 96.6 mt -66.1 -40.28 86.73 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.725 0 O-C-N 121.076 -1.015 . . . . 0.0 110.836 -178.931 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 96.3 m-20 -62.64 -41.99 99.34 Favored 'General case' 0 N--CA 1.496 1.826 0 O-C-N 121.006 -1.059 . . . . 0.0 110.961 -179.237 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 54.5 t -63.37 -40.01 87.42 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.749 0 O-C-N 121.095 -1.003 . . . . 0.0 110.053 -179.616 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 14' ' ' PHE . . . . . 0.485 ' CZ ' HD13 ' B' ' 27' ' ' LEU . 62.3 t80 -60.02 -41.9 93.18 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.278 -0.889 . . . . 0.0 110.583 -179.058 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 48.3 t60 -65.09 -39.93 93.88 Favored 'General case' 0 N--CA 1.496 1.85 0 O-C-N 121.188 -0.945 . . . . 0.0 111.16 -178.946 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 67.9 mm-40 -60.03 -40.09 88.16 Favored 'General case' 0 N--CA 1.499 2.023 0 O-C-N 120.906 -1.121 . . . . 0.0 111.274 -178.538 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 7.9 m-85 -68.45 -35.94 78.31 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 120.844 -1.16 . . . . 0.0 109.982 -179.44 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 5.1 t -60.03 -38.16 81.92 Favored 'General case' 0 C--N 1.299 -1.602 0 O-C-N 121.052 -1.03 . . . . 0.0 110.022 -179.324 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -75.02 6.78 25.64 Favored Glycine 0 N--CA 1.494 2.566 0 C-N-CA 120.249 -0.977 . . . . 0.0 111.279 -178.852 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 8.9 mmm180 -60.02 -50.06 75.21 Favored 'General case' 0 N--CA 1.498 1.959 0 O-C-N 120.542 -1.563 . . . . 0.0 109.65 -179.835 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 75.0 mm-40 -103.19 9.41 38.26 Favored 'General case' 0 N--CA 1.497 1.881 0 O-C-N 121.372 -0.83 . . . . 0.0 109.322 -179.849 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . 86.76 0.83 85.72 Favored Glycine 0 N--CA 1.491 2.306 0 N-CA-C 108.872 -1.691 . . . . 0.0 108.872 -179.449 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 91.9 m-20 -84.62 82.46 8.41 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.435 -1.038 . . . . 0.0 108.894 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 9.6 mtmp? -86.65 91.0 8.45 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.224 -0.922 . . . . 0.0 109.148 -179.857 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 25' ' ' HIS . . . . . . . . . . . . . 3.2 t-160 -173.31 -60.46 0.02 OUTLIER 'General case' 0 N--CA 1.488 1.47 0 O-C-N 121.397 -0.815 . . . . 0.0 109.093 -179.939 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 45.1 pttt -148.82 160.09 43.55 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.45 -0.781 . . . . 0.0 109.248 -179.636 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 27' ' ' LEU . . . . . 0.485 HD13 ' CZ ' ' B' ' 14' ' ' PHE . 8.4 mp -98.67 135.72 39.77 Favored 'General case' 0 N--CA 1.499 2.013 0 O-C-N 121.266 -0.896 . . . . 0.0 109.637 -179.143 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 16.4 pttp -94.49 169.4 10.23 Favored 'General case' 0 N--CA 1.496 1.852 0 O-C-N 121.374 -0.829 . . . . 0.0 109.325 179.548 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 24.0 pttm -60.03 -35.4 75.01 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.327 -0.858 . . . . 0.0 110.809 -178.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 16.0 t -59.95 -41.97 93.03 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 120.772 -1.205 . . . . 0.0 108.737 -179.624 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -69.9 -32.6 71.01 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.182 -0.949 . . . . 0.0 109.184 178.421 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 14.1 tp -59.94 -40.04 87.59 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.355 -0.841 . . . . 0.0 109.312 -179.388 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 21.3 tptm -58.59 -46.39 87.07 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 120.909 -1.12 . . . . 0.0 109.278 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 53.2 tp10 -66.09 -44.42 84.47 Favored 'General case' 0 C--N 1.3 -1.561 0 O-C-N 121.04 -1.038 . . . . 0.0 109.754 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 5.3 tt -59.97 -49.97 75.6 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.302 -0.874 . . . . 0.0 111.142 -179.015 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 95.6 mt -61.17 -45.2 99.04 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.654 0 O-C-N 120.943 -1.098 . . . . 0.0 109.785 -179.222 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 21.0 t-20 -67.83 -43.66 79.06 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.066 -1.022 . . . . 0.0 109.978 -179.882 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 1.1 t30 -68.36 -40.03 81.61 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.481 -0.762 . . . . 0.0 110.968 -178.799 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 47.1 tp10 -80.0 -71.24 0.46 Allowed 'General case' 0 N--CA 1.493 1.675 0 O-C-N 120.933 -1.104 . . . . 0.0 110.597 -178.808 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 19.5 mt -100.95 126.95 47.63 Favored 'General case' 0 N--CA 1.495 1.801 0 O-C-N 121.423 -0.798 . . . . 0.0 109.96 -178.938 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 1.3 t -139.95 -46.64 0.44 Allowed 'General case' 0 N--CA 1.494 1.734 0 N-CA-C 108.445 -0.946 . . . . 0.0 108.445 178.802 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 42' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -61.04 -41.83 97.32 Favored 'General case' 0 N--CA 1.487 1.422 0 O-C-N 121.553 -0.717 . . . . 0.0 109.528 179.732 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 65.1 m-85 -69.95 -40.03 75.69 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 120.992 -1.068 . . . . 0.0 109.261 179.652 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 50.4 mt -128.53 125.95 39.4 Favored 'General case' 0 N--CA 1.499 1.991 0 N-CA-C 109.117 -0.697 . . . . 0.0 109.117 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 15.2 pt-20 -147.49 15.35 1.12 Allowed 'General case' 0 N--CA 1.494 1.757 0 O-C-N 121.067 -1.021 . . . . 0.0 109.297 179.581 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 86.8 tt0 -87.7 -12.19 46.08 Favored 'General case' 0 N--CA 1.494 1.745 0 O-C-N 121.375 -0.828 . . . . 0.0 110.052 -179.625 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 91.9 mt -73.86 128.33 36.21 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.651 0 O-C-N 120.936 -1.103 . . . . 0.0 109.649 -179.722 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 86.3 tttt -149.55 -45.76 0.14 Allowed 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.296 -0.877 . . . . 0.0 109.457 179.419 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 41.8 mt-10 -85.28 148.12 26.21 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.188 -0.945 . . . . 0.0 110.214 -179.271 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 50' ' ' GLN . . . . . 0.686 ' NE2' ' H ' ' B' ' 50' ' ' GLN . 0.0 OUTLIER -69.69 -27.58 65.12 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.628 -0.67 . . . . 0.0 109.947 -179.781 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 37.8 tt0 -60.09 -40.01 88.12 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.347 -0.846 . . . . 0.0 109.896 -179.151 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 54.1 t -61.91 -43.06 96.94 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.552 0 O-C-N 121.126 -0.984 . . . . 0.0 109.836 -179.815 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 53.7 t -60.02 -40.0 81.92 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.624 0 O-C-N 121.142 -0.974 . . . . 0.0 109.832 -179.486 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 8.9 t70 -59.98 -45.15 93.62 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.111 -0.993 . . . . 0.0 109.98 -179.538 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 36.5 ttpt -60.1 -47.77 84.49 Favored 'General case' 0 C--N 1.302 -1.484 0 O-C-N 121.166 -0.959 . . . . 0.0 109.541 179.772 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 53.0 t -69.82 -41.03 79.66 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.492 0 O-C-N 121.252 -0.905 . . . . 0.0 109.357 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 57' ' ' MET . . . . . . . . . . . . . 15.9 tpt -60.35 -46.41 90.04 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.284 -0.885 . . . . 0.0 109.896 -179.635 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 42.2 tt0 -60.05 -40.08 88.2 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.292 -0.88 . . . . 0.0 109.982 -179.264 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 92.1 m -63.26 -40.12 96.51 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.229 -0.92 . . . . 0.0 109.828 -179.283 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 5.9 tp -81.31 -14.67 57.08 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.277 -0.89 . . . . 0.0 110.005 -179.691 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 61' ' ' ASP . . . . . 0.513 ' OD1' ' N ' ' B' ' 64' ' ' GLY . 60.6 t0 -79.14 98.01 6.4 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 120.794 -1.191 . . . . 0.0 109.66 -179.45 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 86.8 tt0 -83.07 -28.67 29.39 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.41 -0.806 . . . . 0.0 109.419 179.803 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 69.5 m-20 -88.12 -8.9 54.76 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.255 -0.903 . . . . 0.0 109.73 -179.405 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 64' ' ' GLY . . . . . 0.513 ' N ' ' OD1' ' B' ' 61' ' ' ASP . . . 61.33 16.46 49.49 Favored Glycine 0 N--CA 1.489 2.217 0 N-CA-C 109.364 -1.494 . . . . 0.0 109.364 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 37.8 p-10 -90.56 -3.99 57.19 Favored 'General case' 0 N--CA 1.494 1.753 0 O-C-N 121.261 -1.14 . . . . 0.0 109.891 -179.785 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 69.99 30.34 70.12 Favored Glycine 0 N--CA 1.493 2.481 0 C-N-CA 119.978 -1.106 . . . . 0.0 110.395 179.079 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 98.1 mt-10 -134.78 148.1 50.14 Favored 'General case' 0 N--CA 1.498 1.929 0 O-C-N 121.167 -1.196 . . . . 0.0 109.469 -179.786 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 68' ' ' CYS . . . . . . . . . . . . . 8.0 t -104.47 114.74 29.17 Favored 'General case' 0 N--CA 1.499 2.0 0 O-C-N 121.383 -0.823 . . . . 0.0 109.57 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 89.6 m-20 -89.15 167.63 12.96 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.339 -0.851 . . . . 0.0 109.516 179.873 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 58.1 t80 -59.99 -46.03 90.8 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.196 -0.94 . . . . 0.0 109.186 179.637 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 8.0 tt0 -60.12 -46.03 91.0 Favored 'General case' 0 N--CA 1.49 1.559 0 N-CA-C 108.497 -0.927 . . . . 0.0 108.497 179.375 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 99.2 mt-10 -62.55 -39.39 93.46 Favored 'General case' 0 C--N 1.303 -1.429 0 CA-C-O 121.431 0.634 . . . . 0.0 109.557 -179.898 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 73' ' ' PHE . . . . . . . . . . . . . 58.6 t80 -60.03 -40.81 90.64 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.425 -0.797 . . . . 0.0 109.736 -179.541 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 74' ' ' MET . . . . . . . . . . . . . 21.6 ttm -60.07 -38.19 82.13 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.259 -0.901 . . . . 0.0 109.702 179.474 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -58.83 -40.04 83.02 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.262 -0.899 . . . . 0.0 109.879 -179.063 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 66.2 t80 -60.02 -48.12 83.03 Favored 'General case' 0 C--N 1.302 -1.46 0 O-C-N 120.935 -1.103 . . . . 0.0 108.841 179.563 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 77' ' ' VAL . . . . . . . . . . . . . 84.2 t -61.01 -38.68 80.04 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.528 0 O-C-N 121.711 -0.618 . . . . 0.0 109.568 179.344 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 78' ' ' SER . . . . . . . . . . . . . 18.5 t -58.65 -39.94 82.04 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.203 -0.936 . . . . 0.0 110.4 -178.832 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 79' ' ' MET . . . . . . . . . . . . . 53.6 mtt -60.14 -39.91 87.97 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 120.951 -1.093 . . . . 0.0 110.017 -179.542 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 97.1 t -68.49 -40.05 81.55 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.517 0 O-C-N 120.924 -1.11 . . . . 0.0 109.881 -179.813 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 81' ' ' THR . . . . . 0.514 ' O ' ' SG ' ' B' ' 84' ' ' CYS . 61.5 p -68.22 -39.94 82.23 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 121.174 -0.954 . . . . 0.0 110.6 -179.352 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 30.0 p -60.1 -39.54 86.51 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 120.73 -1.231 . . . . 0.0 109.408 -179.769 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -61.43 -29.04 69.69 Favored 'General case' 0 C--N 1.299 -1.593 0 O-C-N 121.487 -0.758 . . . . 0.0 109.818 -179.839 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 84' ' ' CYS . . . . . 0.514 ' SG ' ' O ' ' B' ' 81' ' ' THR . 1.8 p -66.67 138.89 57.75 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.119 -0.988 . . . . 0.0 110.127 -179.308 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 85' ' ' HIS . . . . . 0.516 ' O ' ' ND1' ' B' ' 85' ' ' HIS . 39.8 t-80 -108.27 25.22 11.9 Favored 'General case' 0 N--CA 1.499 1.998 0 O-C-N 121.588 -0.695 . . . . 0.0 109.236 179.663 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 86' ' ' GLU . . . . . 0.459 ' CB ' ' O ' ' B' ' 85' ' ' HIS . 7.0 tm-20 76.98 -27.91 0.18 Allowed 'General case' 0 N--CA 1.496 1.852 0 O-C-N 121.494 -0.754 . . . . 0.0 109.276 -179.646 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 87' ' ' PHE . . . . . 0.511 ' O ' ' CD2' ' B' ' 87' ' ' PHE . 61.2 t80 -87.4 -8.97 55.96 Favored 'General case' 0 N--CA 1.49 1.569 0 N-CA-C 108.409 -0.959 . . . . 0.0 108.409 179.098 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 88' ' ' PHE . . . . . 0.511 ' CZ ' ' OE2' ' B' ' 91' ' ' GLU . 38.7 t80 -71.75 86.68 0.95 Allowed 'General case' 0 N--CA 1.487 1.42 0 N-CA-C 109.036 -0.728 . . . . 0.0 109.036 -179.869 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 89' ' ' GLU . . . . . 0.516 ' OE2' ' NE2' ' B' ' 90' ' ' HIS . 39.4 tt0 -142.72 -93.27 0.12 Allowed 'General case' 0 N--CA 1.496 1.844 0 N-CA-C 108.47 -0.937 . . . . 0.0 108.47 179.932 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 90' ' ' HIS . . . . . 0.516 ' NE2' ' OE2' ' B' ' 89' ' ' GLU . 89.9 m-70 -60.93 140.01 57.86 Favored 'General case' 0 N--CA 1.488 1.454 0 O-C-N 121.046 -1.034 . . . . 0.0 109.167 179.276 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 91' ' ' GLU . . . . . 0.511 ' OE2' ' CZ ' ' B' ' 88' ' ' PHE . 98.3 mt-10 . . . . . 0 N--CA 1.496 1.831 0 CA-C-O 118.072 -0.966 . . . . 0.0 109.248 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 92' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 93' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' B' B ' 92' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' B' B ' 93' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_