data_2c0s_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 2c0s _Structure_validation_residue.Date_analyzed 2016-10-07 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 35.0 m . . . . . 0 CA--C 1.537 0.455 0 N-CA-C 114.177 1.177 . . . . 0.0 114.177 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 2.6 t -77.66 -27.2 50.88 Favored 'General case' 0 C--O 1.235 0.325 0 C-N-CA 118.502 -1.279 . . . . 0.0 109.301 -178.114 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . 0.52 ' O ' ' HD3' ' A' ' 9' ' ' ARG . 35.8 mmtp -69.38 -41.12 76.94 Favored 'General case' 0 N--CA 1.452 -0.354 0 N-CA-C 108.454 -0.943 . . . . 0.0 108.454 174.074 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.531 ' O ' HG13 ' A' ' 10' ' ' ILE . 46.9 tp -59.17 -50.48 73.89 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.503 -0.772 . . . . 0.0 109.14 177.227 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 26.6 t-20 -54.98 -39.94 69.52 Favored 'General case' 0 N--CA 1.474 0.751 0 CA-C-N 115.584 -0.734 . . . . 0.0 110.909 178.174 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 19.2 t70 -65.39 -47.23 77.05 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.324 -0.853 . . . . 0.0 111.545 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . 0.52 ' HD3' ' O ' ' A' ' 5' ' ' LYS . 7.6 mpt_? -63.5 -28.28 69.84 Favored 'General case' 0 C--N 1.316 -0.867 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.635 178.199 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . 0.531 HG13 ' O ' ' A' ' 6' ' ' LEU . 74.3 mt -71.1 -45.73 70.42 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.746 0 N-CA-C 108.524 -0.917 . . . . 0.0 108.524 174.406 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . 0.425 ' HA ' ' HD2' ' A' ' 14' ' ' LYS . 41.7 tt0 -57.99 -47.06 84.11 Favored 'General case' 0 C--N 1.322 -0.63 0 C-N-CA 124.207 1.003 . . . . 0.0 110.657 -178.913 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -65.4 -33.46 76.01 Favored 'General case' 0 C--N 1.313 -0.987 0 CA-C-N 115.442 -0.799 . . . . 0.0 111.245 178.752 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 3.5 tppp? -76.13 -37.01 58.55 Favored 'General case' 0 N--CA 1.446 -0.649 0 N-CA-C 109.285 -0.635 . . . . 0.0 109.285 -176.814 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.57 ' O ' HG13 ' A' ' 18' ' ' ILE . 94.3 mttt -53.08 -52.75 57.59 Favored 'General case' 0 N--CA 1.464 0.274 0 O-C-N 123.366 0.416 . . . . 0.0 110.108 171.006 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 32.1 mmmt -62.27 -40.59 96.73 Favored 'General case' 0 C--O 1.245 0.841 0 CA-C-N 115.893 -0.594 . . . . 0.0 111.917 -178.775 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . 0.44 ' O ' ' HG ' ' A' ' 20' ' ' LEU . 39.6 tt0 -63.7 -43.87 95.34 Favored 'General case' 0 C--N 1.316 -0.876 0 CA-C-N 115.92 -0.582 . . . . 0.0 109.688 178.083 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.507 ' O ' HG21 ' A' ' 21' ' ' VAL . 2.0 tm? -60.48 -46.03 91.6 Favored 'General case' 0 CA--C 1.538 0.502 0 CA-C-N 115.447 -0.797 . . . . 0.0 109.303 179.922 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . 0.57 HG13 ' O ' ' A' ' 14' ' ' LYS . 71.3 mt -56.32 -44.37 79.58 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.164 0 CA-C-O 121.274 0.559 . . . . 0.0 110.444 179.122 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 84.6 t80 -61.82 -39.78 92.98 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-N 115.473 -0.785 . . . . 0.0 110.41 -179.911 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.44 ' HG ' ' O ' ' A' ' 16' ' ' GLU . 88.3 mt -71.94 -31.33 66.22 Favored 'General case' 0 C--N 1.31 -1.122 0 CA-C-N 115.651 -0.704 . . . . 0.0 111.567 -179.154 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . 0.507 HG21 ' O ' ' A' ' 17' ' ' LEU . 73.6 t -63.36 -36.04 74.61 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.56 0 N-CA-C 109.428 -0.582 . . . . 0.0 109.428 176.47 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 15.3 mm-40 -68.09 -43.63 78.07 Favored 'General case' 0 C--N 1.309 -1.185 0 CA-C-N 115.696 -0.684 . . . . 0.0 111.246 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 54.0 mttp -82.9 -38.58 22.68 Favored 'General case' 0 C--N 1.32 -0.706 0 N-CA-C 115.255 1.576 . . . . 0.0 115.255 -179.583 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 97.4 m-85 -107.26 -38.52 5.95 Favored 'General case' 0 C--N 1.309 -1.176 0 N-CA-C 112.972 0.73 . . . . 0.0 112.972 -174.107 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 106.59 154.39 20.36 Favored Glycine 0 C--N 1.299 -1.475 0 N-CA-C 109.714 -1.354 . . . . 0.0 109.714 -175.808 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 52.9 t80 -75.96 -16.57 59.98 Favored 'General case' 0 C--N 1.308 -1.238 0 CA-C-O 121.317 0.579 . . . . 0.0 111.338 -175.472 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 4.2 m -86.37 -1.67 57.74 Favored 'General case' 0 CA--C 1.553 1.084 0 CA-C-O 121.749 0.785 . . . . 0.0 110.067 -179.721 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 86.7 t60 -78.56 136.35 37.52 Favored 'General case' 0 N--CA 1.439 -0.992 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.353 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 28.7 m80 -49.2 -46.54 45.84 Favored 'General case' 0 N--CA 1.482 1.152 0 C-N-CA 124.898 1.279 . . . . 0.0 112.979 -175.178 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 68.2 mttm -65.29 -40.31 93.68 Favored 'General case' 0 C--O 1.215 -0.748 0 C-N-CA 121.066 -0.253 . . . . 0.0 111.023 -179.05 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 58.5 t -67.08 -38.52 81.39 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.021 0 N-CA-C 109.737 -0.468 . . . . 0.0 109.737 -179.337 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 74.7 mt -62.86 -49.69 82.66 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.646 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.011 176.035 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 10.3 p -64.84 -36.66 85.05 Favored 'General case' 0 CA--C 1.544 0.741 0 N-CA-C 112.611 0.597 . . . . 0.0 112.611 -179.409 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 25.2 m-85 -69.38 -32.62 71.77 Favored 'General case' 0 C--O 1.219 -0.539 0 C-N-CA 120.224 -0.59 . . . . 0.0 110.418 175.663 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 69.9 m -64.81 -36.96 86.01 Favored 'General case' 0 N--CA 1.45 -0.45 0 N-CA-C 110.338 -0.245 . . . . 0.0 110.338 176.219 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 92.4 mt-30 -66.74 -37.31 84.41 Favored 'General case' 0 N--CA 1.466 0.366 0 CA-C-O 121.571 0.701 . . . . 0.0 109.511 176.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 37.9 tt0 -68.76 -42.01 78.06 Favored 'General case' 0 C--N 1.317 -0.825 0 CA-C-N 115.239 -0.892 . . . . 0.0 110.092 179.242 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 32.3 tp -63.17 -41.52 99.25 Favored 'General case' 0 C--N 1.318 -0.802 0 N-CA-C 109.042 -0.725 . . . . 0.0 109.042 177.793 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 12.0 t70 -60.81 -40.25 91.98 Favored 'General case' 0 C--O 1.215 -0.752 0 CA-C-N 114.86 -1.063 . . . . 0.0 110.603 175.808 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 42.8 ttm180 -59.28 -46.55 88.24 Favored 'General case' 0 CA--C 1.537 0.448 0 C-N-CA 123.197 0.599 . . . . 0.0 111.35 179.174 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.4 ' HB3' HG12 ' A' ' 10' ' ' ILE . 9.5 mp -71.99 -34.03 68.59 Favored 'General case' 0 C--N 1.323 -0.585 0 C-N-CA 120.124 -0.63 . . . . 0.0 111.643 179.008 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 6.4 tt -64.76 -40.1 94.72 Favored 'General case' 0 C--N 1.32 -0.705 0 N-CA-C 108.096 -1.076 . . . . 0.0 108.096 177.149 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 27.4 t-20 -60.6 -38.8 85.84 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 114.883 -1.053 . . . . 0.0 110.754 176.61 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 76.1 mt -55.99 -40.74 73.79 Favored 'General case' 0 CA--C 1.513 -0.469 0 O-C-N 123.746 0.653 . . . . 0.0 111.572 178.463 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 90.5 mt -57.22 -48.54 78.56 Favored 'General case' 0 C--O 1.222 -0.364 0 N-CA-C 109.702 -0.481 . . . . 0.0 109.702 177.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 63.1 mt -69.44 -43.45 80.81 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.9 0 CA-C-N 115.481 -0.781 . . . . 0.0 110.576 -178.567 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 39.5 tt0 . . . . . 0 C--N 1.316 -0.852 0 CA-C-N 116.057 -0.519 . . . . 0.0 112.145 -176.829 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 34.4 m . . . . . 0 C--O 1.215 -0.713 0 N-CA-C 110.083 -0.339 . . . . 0.0 110.083 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 74.8 m -58.56 -54.73 43.8 Favored 'General case' 0 N--CA 1.431 -1.377 0 C-N-CA 123.926 0.89 . . . . 0.0 112.61 -175.628 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 92.1 mttt -70.39 -28.15 64.85 Favored 'General case' 0 C--N 1.302 -1.468 0 CA-C-N 115.976 -0.556 . . . . 0.0 111.408 -178.385 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 44.9 tp -69.52 -46.66 66.0 Favored 'General case' 0 C--N 1.318 -0.801 0 N-CA-C 108.711 -0.848 . . . . 0.0 108.711 176.123 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' ASN . . . . . 0.402 ' O ' ' HB ' ' A' ' 10' ' ' ILE . 7.8 t30 -60.3 -34.71 74.16 Favored 'General case' 0 N--CA 1.466 0.363 0 CA-C-N 115.448 -0.797 . . . . 0.0 109.747 178.151 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 27.3 t70 -60.24 -32.35 71.06 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 115.409 -0.814 . . . . 0.0 111.35 176.594 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 64.0 mtp180 -65.52 -42.23 92.23 Favored 'General case' 0 N--CA 1.471 0.625 0 N-CA-C 109.021 -0.733 . . . . 0.0 109.021 174.401 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . 0.57 ' O ' ' HG2' ' A' ' 14' ' ' LYS . 1.7 mp -57.85 -49.34 81.36 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.209 0 CA-C-N 115.237 -0.892 . . . . 0.0 109.848 177.555 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . 0.58 ' O ' ' HG2' ' A' ' 15' ' ' LYS . 47.0 mt-10 -64.7 -29.52 70.52 Favored 'General case' 0 C--N 1.319 -0.752 0 N-CA-C 113.116 0.784 . . . . 0.0 113.116 -176.941 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -66.7 -34.41 77.79 Favored 'General case' 0 C--O 1.242 0.71 0 CA-C-O 121.677 0.751 . . . . 0.0 109.713 176.198 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 28.6 mtpp -76.95 -31.05 56.32 Favored 'General case' 0 N--CA 1.442 -0.863 0 N-CA-C 108.567 -0.901 . . . . 0.0 108.567 179.66 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.57 ' HG2' ' O ' ' A' ' 10' ' ' ILE . 31.6 mmmt -63.06 -38.75 92.43 Favored 'General case' 0 C--O 1.216 -0.709 0 CA-C-N 115.412 -0.813 . . . . 0.0 109.839 176.093 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . 0.58 ' HG2' ' O ' ' A' ' 11' ' ' GLU . 33.7 mmtp -65.24 -32.52 74.24 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 109.71 -0.478 . . . . 0.0 109.71 178.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . 0.474 ' O ' ' HG ' ' A' ' 20' ' ' LEU . 9.2 tp10 -74.06 -42.6 59.96 Favored 'General case' 0 N--CA 1.444 -0.731 0 N-CA-C 107.511 -1.292 . . . . 0.0 107.511 -179.02 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.412 ' O ' HG22 ' A' ' 21' ' ' VAL . 13.3 mt -56.49 -43.71 79.96 Favored 'General case' 0 C--O 1.212 -0.893 0 CA-C-N 114.771 -1.104 . . . . 0.0 112.224 175.872 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . 0.484 HG13 ' O ' ' A' ' 14' ' ' LYS . 83.9 mt -56.09 -45.75 80.69 Favored 'Isoleucine or valine' 0 C--O 1.242 0.698 0 O-C-N 123.367 0.417 . . . . 0.0 110.075 177.244 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 76.0 t80 -61.86 -44.79 96.1 Favored 'General case' 0 CA--C 1.533 0.314 0 CA-C-N 115.831 -0.622 . . . . 0.0 109.993 176.652 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.474 ' HG ' ' O ' ' A' ' 16' ' ' GLU . 84.4 mt -62.95 -43.68 98.13 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.546 -179.407 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . 0.412 HG22 ' O ' ' A' ' 17' ' ' LEU . 96.8 t -60.27 -41.46 87.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 CA-C-O 120.78 0.324 . . . . 0.0 110.363 176.556 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 49.0 mt-10 -68.65 -43.18 76.78 Favored 'General case' 0 C--N 1.309 -1.167 0 N-CA-C 112.485 0.55 . . . . 0.0 112.485 177.282 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 20.9 tptm -80.39 -45.76 17.16 Favored 'General case' 0 N--CA 1.42 -1.954 0 N-CA-C 113.303 0.853 . . . . 0.0 113.303 -172.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 87.5 m-85 -106.49 -34.86 7.26 Favored 'General case' 0 C--N 1.313 -1.0 0 CA-C-O 120.985 0.421 . . . . 0.0 111.034 -175.852 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 118.05 161.49 11.97 Favored Glycine 0 C--N 1.299 -1.479 0 N-CA-C 111.326 -0.71 . . . . 0.0 111.326 -179.259 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 52.8 p90 -74.71 -36.81 62.7 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 117.525 0.663 . . . . 0.0 110.249 179.187 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 8.4 t -94.07 71.66 3.98 Favored 'General case' 0 N--CA 1.424 -1.76 0 CA-C-O 123.329 1.538 . . . . 0.0 108.96 178.584 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' HIS . . . . . 0.413 ' O ' HG13 ' A' ' 32' ' ' ILE . 36.7 t60 -137.96 130.74 29.78 Favored 'General case' 0 C--N 1.294 -1.841 0 N-CA-C 105.862 -1.903 . . . . 0.0 105.862 178.738 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 12.5 t-80 -53.03 -45.35 67.97 Favored 'General case' 0 C--N 1.318 -0.796 0 N-CA-C 113.47 0.915 . . . . 0.0 113.47 -171.334 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 33.5 mmtp -66.05 -34.96 79.26 Favored 'General case' 0 C--N 1.32 -0.695 0 C-N-CA 120.333 -0.547 . . . . 0.0 112.203 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 63.6 t -67.34 -39.66 83.22 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.917 0 N-CA-C 108.794 -0.817 . . . . 0.0 108.794 178.153 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . 0.413 HG13 ' O ' ' A' ' 28' ' ' HIS . 70.6 mt -62.58 -42.4 95.78 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.684 0 CA-C-N 115.527 -0.76 . . . . 0.0 109.902 176.737 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 65.8 p -65.81 -33.22 75.34 Favored 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 120.511 -0.476 . . . . 0.0 111.56 178.315 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 44.4 m-85 -70.05 -33.64 72.21 Favored 'General case' 0 C--O 1.213 -0.832 0 C-N-CA 120.69 -0.404 . . . . 0.0 110.556 175.894 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 22.9 t -60.91 -41.07 95.41 Favored 'General case' 0 C--N 1.322 -0.614 0 N-CA-C 109.093 -0.706 . . . . 0.0 109.093 177.618 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . 0.469 ' O ' ' HB3' ' A' ' 39' ' ' ASP . 73.4 mt-30 -67.62 -32.67 73.54 Favored 'General case' 0 N--CA 1.462 0.173 0 CA-C-O 121.309 0.576 . . . . 0.0 110.13 178.537 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 33.8 tt0 -71.32 -45.22 63.53 Favored 'General case' 0 C--N 1.314 -0.947 0 CA-C-N 115.909 -0.587 . . . . 0.0 109.739 178.041 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -59.74 -32.62 70.73 Favored 'General case' 0 CA--C 1.508 -0.64 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.98 176.453 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . 0.469 ' HB3' ' O ' ' A' ' 36' ' ' GLN . 8.3 t70 -57.81 -48.13 80.63 Favored 'General case' 0 C--N 1.317 -0.826 0 O-C-N 123.901 0.751 . . . . 0.0 109.561 175.647 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 18.2 mmt180 -70.39 -41.12 73.43 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.489 -0.778 . . . . 0.0 111.431 -177.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -61.68 -44.45 96.92 Favored 'General case' 0 N--CA 1.467 0.41 0 O-C-N 123.41 0.444 . . . . 0.0 110.775 176.16 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 60.0 tp -65.14 -32.36 74.01 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.338 0.589 . . . . 0.0 110.191 179.026 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 3.6 t-20 -70.57 -23.22 62.55 Favored 'General case' 0 N--CA 1.432 -1.359 0 CA-C-N 115.965 -0.561 . . . . 0.0 111.109 -178.132 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 96.1 mt -56.2 -47.21 78.81 Favored 'General case' 0 N--CA 1.471 0.623 0 O-C-N 123.082 0.239 . . . . 0.0 111.371 179.746 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.434 ' H ' HD22 ' A' ' 45' ' ' LEU . 0.7 OUTLIER -71.71 -33.98 69.21 Favored 'General case' 0 C--O 1.211 -0.922 0 C-N-CA 120.09 -0.644 . . . . 0.0 111.707 179.741 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 72.3 mt -65.69 -49.1 79.75 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.607 0 CA-C-O 121.33 0.586 . . . . 0.0 109.584 178.098 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 9.1 tp10 . . . . . 0 C--N 1.318 -0.793 0 C-N-CA 124.464 1.106 . . . . 0.0 110.354 -179.457 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 28.0 m . . . . . 0 C--O 1.235 0.304 0 CA-C-O 120.567 0.223 . . . . 0.0 110.793 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 11.1 t -64.19 -35.95 82.46 Favored 'General case' 0 N--CA 1.445 -0.715 0 N-CA-C 109.303 -0.628 . . . . 0.0 109.303 176.765 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . 0.428 ' O ' ' HG3' ' A' ' 9' ' ' ARG . 55.2 mttm -78.32 -27.33 47.14 Favored 'General case' 0 N--CA 1.437 -1.124 0 N-CA-C 112.933 0.716 . . . . 0.0 112.933 178.759 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 43.0 tp -66.48 -45.78 78.51 Favored 'General case' 0 C--N 1.313 -0.979 0 N-CA-C 108.331 -0.988 . . . . 0.0 108.331 175.033 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' ASN . . . . . 0.474 ' O ' ' HB ' ' A' ' 10' ' ' ILE . 0.2 OUTLIER -67.21 -31.93 72.65 Favored 'General case' 0 CA--C 1.539 0.538 0 N-CA-C 108.93 -0.767 . . . . 0.0 108.93 177.62 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 17.1 t70 -58.66 -37.96 77.12 Favored 'General case' 0 N--CA 1.479 1.016 0 C-N-CA 123.568 0.747 . . . . 0.0 110.558 176.037 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . 0.428 ' HG3' ' O ' ' A' ' 5' ' ' LYS . 97.2 mtt180 -65.79 -37.5 86.47 Favored 'General case' 0 CA--C 1.507 -0.684 0 CA-C-N 116.062 -0.517 . . . . 0.0 109.687 177.605 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . 0.474 ' HB ' ' O ' ' A' ' 7' ' ' ASN . 68.4 mt -60.26 -47.11 93.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 N-CA-C 108.756 -0.831 . . . . 0.0 108.756 176.292 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . 0.435 ' HG2' ' O ' ' A' ' 7' ' ' ASN . 38.5 mm-40 -58.48 -45.81 87.91 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.44 -0.8 . . . . 0.0 111.13 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -67.51 -30.53 70.23 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.983 179.004 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 18.6 tptm -76.6 -34.32 58.39 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 109.622 -0.51 . . . . 0.0 109.622 -178.702 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.542 ' O ' HG13 ' A' ' 18' ' ' ILE . 91.9 mttt -59.66 -49.21 78.63 Favored 'General case' 0 C--O 1.217 -0.656 0 CA-C-N 115.973 -0.558 . . . . 0.0 109.622 173.85 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 75.0 mmtt -65.2 -32.49 74.2 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.356 -179.52 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . 0.544 ' O ' ' HG ' ' A' ' 20' ' ' LEU . 34.7 tt0 -69.89 -43.66 71.32 Favored 'General case' 0 C--N 1.32 -0.709 0 N-CA-C 107.36 -1.348 . . . . 0.0 107.36 -179.671 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.437 ' O ' HG21 ' A' ' 21' ' ' VAL . 11.5 mt -61.66 -41.28 97.32 Favored 'General case' 0 N--CA 1.439 -1.002 0 CA-C-N 114.566 -1.197 . . . . 0.0 112.487 176.37 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . 0.542 HG13 ' O ' ' A' ' 14' ' ' LYS . 79.2 mt -56.95 -43.35 80.51 Favored 'Isoleucine or valine' 0 C--O 1.239 0.551 0 N-CA-C 109.995 -0.372 . . . . 0.0 109.995 177.171 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 79.7 t80 -64.98 -39.77 93.98 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.705 177.26 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.544 ' HG ' ' O ' ' A' ' 16' ' ' GLU . 84.9 mt -66.02 -38.71 89.14 Favored 'General case' 0 C--N 1.31 -1.12 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.827 178.766 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . 0.437 HG21 ' O ' ' A' ' 17' ' ' LEU . 64.0 t -63.33 -32.39 56.31 Favored 'Isoleucine or valine' 0 CA--C 1.554 1.116 0 CA-C-O 121.302 0.573 . . . . 0.0 110.12 173.795 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 18.5 mm-40 -68.08 -52.46 34.85 Favored 'General case' 0 C--N 1.317 -0.809 0 O-C-N 121.864 -0.522 . . . . 0.0 110.972 175.338 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 34.7 mmtp -77.78 -47.55 18.71 Favored 'General case' 0 C--N 1.32 -0.717 0 N-CA-C 114.141 1.163 . . . . 0.0 114.141 -176.264 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 69.2 m-85 -100.79 -40.86 7.11 Favored 'General case' 0 C--N 1.301 -1.513 0 CA-C-O 120.982 0.42 . . . . 0.0 110.596 -175.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . 0.407 ' HA3' ' O ' ' A' ' 21' ' ' VAL . . . 106.86 -147.68 16.26 Favored Glycine 0 C--N 1.301 -1.38 0 N-CA-C 111.171 -0.772 . . . . 0.0 111.171 -179.371 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 38.1 p90 -124.58 177.4 5.96 Favored 'General case' 0 C--N 1.304 -1.376 0 N-CA-C 108.751 -0.833 . . . . 0.0 108.751 177.537 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 41.1 p 56.99 20.58 5.5 Favored 'General case' 0 N--CA 1.484 1.254 0 C-N-CA 124.904 1.281 . . . . 0.0 111.6 -173.699 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 39.4 t60 -104.84 132.56 50.93 Favored 'General case' 0 N--CA 1.429 -1.517 0 N-CA-C 107.465 -1.309 . . . . 0.0 107.465 -177.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 11.6 m170 -50.12 -45.48 52.91 Favored 'General case' 0 N--CA 1.488 1.453 0 N-CA-C 114.078 1.14 . . . . 0.0 114.078 -173.858 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 55.9 mttm -62.74 -49.46 74.94 Favored 'General case' 0 C--N 1.322 -0.619 0 N-CA-C 109.268 -0.641 . . . . 0.0 109.268 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 58.8 t -60.85 -44.55 97.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 115.348 -0.842 . . . . 0.0 110.817 -178.776 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 87.7 mt -57.76 -44.6 86.23 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.521 0 CA-C-O 121.107 0.48 . . . . 0.0 110.194 177.641 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' SER . . . . . 0.45 ' O ' ' HG3' ' A' ' 37' ' ' GLU . 41.3 m -64.42 -39.17 93.32 Favored 'General case' 0 C--N 1.316 -0.848 0 CA-C-N 115.83 -0.623 . . . . 0.0 111.517 -179.799 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 42.2 m-85 -70.97 -36.05 72.39 Favored 'General case' 0 C--O 1.238 0.464 0 CA-C-O 120.948 0.404 . . . . 0.0 110.617 177.498 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 27.7 t -63.22 -40.94 98.89 Favored 'General case' 0 C--N 1.319 -0.749 0 C-N-CA 123.924 0.89 . . . . 0.0 110.415 -179.686 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 78.1 mt-30 -67.42 -31.56 71.84 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.463 -0.335 . . . . 0.0 111.314 178.201 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . 0.557 ' O ' ' HG ' ' A' ' 41' ' ' LEU . 50.0 mt-10 -67.12 -37.47 83.92 Favored 'General case' 0 C--O 1.214 -0.776 0 N-CA-C 109.515 -0.55 . . . . 0.0 109.515 176.552 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -60.58 -45.37 94.21 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 108.906 -0.776 . . . . 0.0 108.906 179.925 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 29.7 t70 -63.93 -39.48 94.26 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.903 -0.59 . . . . 0.0 110.911 177.262 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 30.1 tpt180 -63.99 -35.91 82.24 Favored 'General case' 0 CA--C 1.535 0.386 0 CA-C-N 116.504 -0.316 . . . . 0.0 110.652 175.808 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.557 ' HG ' ' O ' ' A' ' 37' ' ' GLU . 90.7 mt -63.54 -41.85 98.43 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 110.314 -0.254 . . . . 0.0 110.314 177.607 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -61.38 -41.71 97.55 Favored 'General case' 0 N--CA 1.475 0.814 0 CA-C-O 121.823 0.82 . . . . 0.0 109.924 174.264 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 22.2 m-80 -67.65 -17.42 64.59 Favored 'General case' 0 C--O 1.205 -1.288 0 CA-C-N 114.718 -1.128 . . . . 0.0 112.76 179.728 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 88.6 mt -66.65 -42.37 86.75 Favored 'General case' 0 C--O 1.215 -0.715 0 N-CA-C 109.965 -0.383 . . . . 0.0 109.965 175.495 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -65.0 -37.72 88.58 Favored 'General case' 0 N--CA 1.47 0.555 0 CA-C-O 121.343 0.592 . . . . 0.0 109.426 177.41 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 74.2 mt -66.56 -41.37 88.29 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.695 0 CA-C-N 115.218 -0.901 . . . . 0.0 109.888 178.125 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 35.2 tt0 . . . . . 0 C--N 1.319 -0.728 0 CA-C-N 115.61 -0.723 . . . . 0.0 110.721 -178.705 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 26.9 m . . . . . 0 N--CA 1.464 0.237 0 N-CA-C 112.252 0.464 . . . . 0.0 112.252 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 8.8 t -62.61 -27.27 69.08 Favored 'General case' 0 C--N 1.318 -0.776 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.329 175.163 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . 0.4 ' NZ ' ' HB3' ' A' ' 5' ' ' LYS . 7.0 mtpm? -75.84 -28.73 58.34 Favored 'General case' 0 N--CA 1.445 -0.676 0 N-CA-C 109.7 -0.481 . . . . 0.0 109.7 -179.755 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.449 ' O ' HG13 ' A' ' 10' ' ' ILE . 2.0 tm? -70.13 -40.32 74.89 Favored 'General case' 0 N--CA 1.448 -0.539 0 N-CA-C 107.118 -1.438 . . . . 0.0 107.118 177.302 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 24.9 t-20 -60.48 -40.71 92.28 Favored 'General case' 0 C--O 1.244 0.782 0 CA-C-N 115.574 -0.739 . . . . 0.0 110.104 176.212 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 15.2 t70 -61.49 -40.47 94.7 Favored 'General case' 0 C--O 1.244 0.807 0 CA-C-N 115.28 -0.873 . . . . 0.0 110.967 176.096 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 73.2 mtp180 -62.65 -40.17 96.21 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.721 -0.672 . . . . 0.0 110.418 176.209 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . 0.449 HG13 ' O ' ' A' ' 6' ' ' LEU . 71.2 mt -60.74 -46.61 95.71 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.339 0 N-CA-C 109.495 -0.558 . . . . 0.0 109.495 177.014 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . 0.408 ' O ' ' HG3' ' A' ' 15' ' ' LYS . 16.5 mm-40 -55.94 -44.79 78.74 Favored 'General case' 0 N--CA 1.469 0.49 0 O-C-N 123.264 0.352 . . . . 0.0 111.295 177.369 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -63.34 -37.64 88.07 Favored 'General case' 0 C--O 1.242 0.667 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.723 -179.791 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 50.9 tptt -72.61 -36.33 68.07 Favored 'General case' 0 N--CA 1.449 -0.483 0 CA-C-N 115.931 -0.577 . . . . 0.0 109.581 -178.601 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 9.3 mtpm? -62.26 -48.02 81.75 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.743 -0.662 . . . . 0.0 110.654 176.908 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . 0.408 ' HG3' ' O ' ' A' ' 11' ' ' GLU . 30.0 mtpp -59.28 -39.84 84.18 Favored 'General case' 0 C--O 1.25 1.108 0 CA-C-O 121.32 0.581 . . . . 0.0 110.167 177.093 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . 0.481 ' O ' ' HG ' ' A' ' 20' ' ' LEU . 36.4 tt0 -66.48 -50.61 62.72 Favored 'General case' 0 N--CA 1.442 -0.843 0 CA-C-N 115.046 -0.979 . . . . 0.0 110.557 179.486 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.474 ' O ' HG22 ' A' ' 21' ' ' VAL . 52.7 tp -59.52 -41.31 89.7 Favored 'General case' 0 C--O 1.215 -0.718 0 CA-C-N 116.464 -0.335 . . . . 0.0 111.757 -177.753 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 79.1 mt -56.65 -43.1 78.21 Favored 'Isoleucine or valine' 0 C--O 1.238 0.484 0 CA-C-O 120.891 0.376 . . . . 0.0 110.018 176.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 85.5 t80 -67.26 -40.87 86.29 Favored 'General case' 0 CA--C 1.541 0.624 0 CA-C-N 115.767 -0.651 . . . . 0.0 110.688 178.03 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.511 HD11 ' CD2' ' A' ' 34' ' ' PHE . 85.1 mt -65.65 -37.4 86.42 Favored 'General case' 0 C--N 1.318 -0.773 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.514 -179.242 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . 0.474 HG22 ' O ' ' A' ' 17' ' ' LEU . 87.6 t -64.04 -37.98 81.24 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.431 0 CA-C-O 121.247 0.546 . . . . 0.0 109.684 175.964 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 47.6 mm-40 -66.97 -40.34 87.41 Favored 'General case' 0 C--N 1.314 -0.973 0 CA-C-N 115.935 -0.575 . . . . 0.0 111.157 178.175 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 30.3 mmmt -82.26 -47.6 12.23 Favored 'General case' 0 C--N 1.31 -1.136 0 N-CA-C 113.564 0.95 . . . . 0.0 113.564 -175.922 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 90.3 m-85 -96.45 -39.03 9.78 Favored 'General case' 0 C--N 1.306 -1.307 0 CA-C-O 120.897 0.379 . . . . 0.0 111.967 -174.267 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 127.32 -169.45 19.16 Favored Glycine 0 N--CA 1.434 -1.435 0 N-CA-C 110.098 -1.201 . . . . 0.0 110.098 -177.414 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 38.6 p90 -113.22 -28.51 7.6 Favored 'General case' 0 C--N 1.309 -1.183 0 CA-C-N 117.424 0.612 . . . . 0.0 112.243 -179.314 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 12.6 p -89.94 -0.09 57.38 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.435 0.636 . . . . 0.0 111.252 178.753 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 23.1 t60 -66.66 127.01 30.77 Favored 'General case' 0 CA--C 1.538 0.5 0 N-CA-C 107.574 -1.269 . . . . 0.0 107.574 177.476 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 32.4 m170 -58.38 -39.51 79.8 Favored 'General case' 0 N--CA 1.477 0.925 0 N-CA-C 114.01 1.115 . . . . 0.0 114.01 -172.629 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 33.7 mmtp -65.79 -34.97 79.39 Favored 'General case' 0 C--O 1.214 -0.791 0 C-N-CA 120.775 -0.37 . . . . 0.0 111.507 177.724 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 94.5 t -66.24 -39.91 85.5 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.658 0 N-CA-C 109.588 -0.523 . . . . 0.0 109.588 178.231 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . 0.43 ' O ' ' HG3' ' A' ' 36' ' ' GLN . 68.3 mt -64.45 -37.23 79.47 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.692 0 N-CA-C 109.084 -0.71 . . . . 0.0 109.084 175.87 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 29.2 t -65.97 -36.38 83.15 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.991 -0.549 . . . . 0.0 110.156 177.772 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . 0.511 ' CD2' HD11 ' A' ' 20' ' ' LEU . 20.8 m-85 -72.71 -30.46 64.21 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 121.034 0.445 . . . . 0.0 109.903 178.007 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 42.7 m -66.66 -37.98 85.91 Favored 'General case' 0 N--CA 1.446 -0.671 0 N-CA-C 109.002 -0.74 . . . . 0.0 109.002 175.263 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . 0.43 ' HG3' ' O ' ' A' ' 32' ' ' ILE . 79.2 mt-30 -63.12 -38.27 90.51 Favored 'General case' 0 C--O 1.223 -0.319 0 CA-C-N 115.722 -0.672 . . . . 0.0 109.647 175.596 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . 0.404 ' O ' ' HG ' ' A' ' 41' ' ' LEU . 25.7 mm-40 -64.48 -41.56 96.41 Favored 'General case' 0 C--O 1.219 -0.522 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.874 177.268 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 5.7 tt -59.45 -51.52 69.55 Favored 'General case' 0 C--O 1.237 0.411 0 N-CA-C 108.481 -0.933 . . . . 0.0 108.481 178.833 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 13.6 t70 -59.88 -40.25 88.06 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 115.204 -0.907 . . . . 0.0 111.167 178.326 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . 0.4 ' O ' ' HG ' ' A' ' 44' ' ' LEU . 38.1 ttm180 -64.12 -41.94 97.05 Favored 'General case' 0 C--N 1.311 -1.094 0 CA-C-N 115.561 -0.745 . . . . 0.0 111.092 179.425 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.404 ' HG ' ' O ' ' A' ' 37' ' ' GLU . 96.1 mt -66.35 -42.33 88.21 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.695 0.283 . . . . 0.0 110.398 177.263 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 63.1 tp -60.94 -42.52 98.34 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 121.137 0.494 . . . . 0.0 110.478 178.146 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 18.5 m-80 -68.38 -17.94 64.35 Favored 'General case' 0 C--N 1.314 -0.973 0 N-CA-C 112.92 0.711 . . . . 0.0 112.92 -179.447 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.4 ' HG ' ' O ' ' A' ' 40' ' ' ARG . 93.5 mt -64.73 -38.94 92.69 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 109.425 -0.583 . . . . 0.0 109.425 175.673 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 99.1 mt -62.83 -47.72 82.19 Favored 'General case' 0 CA--C 1.516 -0.328 0 N-CA-C 109.211 -0.663 . . . . 0.0 109.211 176.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 1.8 mp -58.71 -46.8 90.39 Favored 'Isoleucine or valine' 0 C--O 1.239 0.525 0 CA-C-N 115.135 -0.939 . . . . 0.0 111.08 179.341 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 . . . . . 0 CA--C 1.507 -0.702 0 N-CA-C 112.593 0.59 . . . . 0.0 112.593 179.218 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 34.4 m . . . . . 0 CA--C 1.54 0.564 0 N-CA-C 113.167 0.802 . . . . 0.0 113.167 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 15.3 t -65.04 -26.82 68.42 Favored 'General case' 0 CA--C 1.542 0.661 0 CA-C-O 121.403 0.621 . . . . 0.0 109.858 177.504 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 75.4 mmtt -76.3 -28.01 56.81 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.765 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 35.8 tp -71.33 -38.16 71.7 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 107.768 -1.197 . . . . 0.0 107.768 175.792 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' ASN . . . . . 0.431 ' HA ' HD13 ' A' ' 10' ' ' ILE . 2.7 t-20 -67.81 -31.43 71.29 Favored 'General case' 0 CA--C 1.545 0.788 0 CA-C-N 115.158 -0.928 . . . . 0.0 109.632 176.031 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 18.6 t70 -67.68 -38.5 83.79 Favored 'General case' 0 N--CA 1.47 0.567 0 CA-C-N 115.738 -0.664 . . . . 0.0 110.006 176.204 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 36.7 mmt180 -59.08 -38.79 80.32 Favored 'General case' 0 N--CA 1.472 0.667 0 CA-C-N 116.142 -0.481 . . . . 0.0 109.996 175.558 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . 0.588 ' O ' ' HG3' ' A' ' 14' ' ' LYS . 80.5 mt -62.54 -50.55 79.36 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.496 0 CA-C-N 115.35 -0.841 . . . . 0.0 109.122 176.639 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . 0.524 ' O ' ' HG2' ' A' ' 15' ' ' LYS . 42.3 tt0 -54.11 -50.17 67.49 Favored 'General case' 0 CA--C 1.512 -0.513 0 O-C-N 123.814 0.696 . . . . 0.0 111.292 -178.408 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -59.02 -35.09 72.69 Favored 'General case' 0 C--N 1.318 -0.781 0 CA-C-N 115.632 -0.713 . . . . 0.0 111.159 179.82 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . 0.418 ' O ' ' HB3' ' A' ' 16' ' ' GLU . 23.8 ttmm -77.64 -30.7 52.33 Favored 'General case' 0 N--CA 1.441 -0.882 0 CA-C-N 116.055 -0.52 . . . . 0.0 111.158 -179.31 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.588 ' HG3' ' O ' ' A' ' 10' ' ' ILE . 56.1 mtpt -62.42 -42.64 99.59 Favored 'General case' 0 C--N 1.32 -0.701 0 N-CA-C 109.395 -0.594 . . . . 0.0 109.395 176.638 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . 0.524 ' HG2' ' O ' ' A' ' 11' ' ' GLU . 27.7 mmmt -65.29 -41.98 93.56 Favored 'General case' 0 C--O 1.246 0.896 0 N-CA-C 108.559 -0.904 . . . . 0.0 108.559 179.473 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . 0.418 ' HB3' ' O ' ' A' ' 13' ' ' LYS . 36.4 tt0 -57.82 -50.78 72.13 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 113.744 -1.571 . . . . 0.0 110.484 178.32 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.53 ' O ' HG22 ' A' ' 21' ' ' VAL . 51.9 tp -60.3 -41.14 92.82 Favored 'General case' 0 N--CA 1.444 -0.764 0 CA-C-N 115.988 -0.551 . . . . 0.0 111.496 -179.07 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . 0.511 ' O ' ' HG2' ' A' ' 22' ' ' GLU . 71.1 mt -59.43 -46.67 92.53 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.524 0 N-CA-C 109.61 -0.515 . . . . 0.0 109.61 177.826 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 62.1 t80 -57.16 -45.4 83.66 Favored 'General case' 0 C--O 1.242 0.676 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.592 177.93 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 90.4 mt -67.43 -34.74 77.84 Favored 'General case' 0 C--N 1.31 -1.131 0 CA-C-N 115.273 -0.876 . . . . 0.0 112.541 -178.345 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . 0.53 HG22 ' O ' ' A' ' 17' ' ' LEU . 89.8 t -67.12 -39.21 82.69 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.51 0 N-CA-C 109.537 -0.542 . . . . 0.0 109.537 177.119 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . 0.511 ' HG2' ' O ' ' A' ' 18' ' ' ILE . 33.1 mm-40 -62.24 -38.69 90.22 Favored 'General case' 0 C--N 1.316 -0.867 0 CA-C-N 115.877 -0.602 . . . . 0.0 110.548 177.876 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 73.8 mmtt -78.49 -47.52 17.22 Favored 'General case' 0 C--N 1.32 -0.687 0 N-CA-C 113.126 0.787 . . . . 0.0 113.126 -178.18 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . 0.466 ' HB3' ' CD2' ' A' ' 28' ' ' HIS . 65.5 m-85 -89.02 -39.15 13.88 Favored 'General case' 0 C--N 1.307 -1.276 0 N-CA-C 114.065 1.135 . . . . 0.0 114.065 -175.187 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 129.04 156.23 8.83 Favored Glycine 0 C--N 1.303 -1.265 0 C-N-CA 119.849 -1.167 . . . . 0.0 111.306 -177.794 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 81.2 m-85 -65.77 123.24 19.21 Favored 'General case' 0 C--N 1.315 -0.893 0 CA-C-O 120.826 0.346 . . . . 0.0 111.397 179.181 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 15.1 m 62.48 24.87 14.82 Favored 'General case' 0 CA--C 1.564 1.498 0 CA-C-O 122.276 1.036 . . . . 0.0 111.403 176.375 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' HIS . . . . . 0.466 ' CD2' ' HB3' ' A' ' 24' ' ' TYR . 82.5 t60 -66.53 154.04 41.39 Favored 'General case' 0 CA--C 1.541 0.626 0 CA-C-N 115.787 -0.642 . . . . 0.0 109.857 176.406 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 60.6 t60 -48.38 -53.61 16.96 Favored 'General case' 0 CA--C 1.544 0.728 0 C-N-CA 124.924 1.29 . . . . 0.0 112.336 -177.713 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 75.5 mmtt -61.85 -38.28 87.64 Favored 'General case' 0 N--CA 1.468 0.45 0 CA-C-O 120.935 0.398 . . . . 0.0 110.274 179.541 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 71.9 t -60.08 -43.3 92.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 CA-C-N 115.546 -0.752 . . . . 0.0 111.311 -179.28 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . 0.493 ' O ' ' HG2' ' A' ' 36' ' ' GLN . 72.9 mt -61.47 -37.45 77.81 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.676 0 CA-C-O 121.092 0.472 . . . . 0.0 110.095 178.867 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 12.9 t -68.89 -38.46 79.65 Favored 'General case' 0 CA--C 1.547 0.859 0 CA-C-N 115.783 -0.644 . . . . 0.0 109.813 179.768 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 16.4 m-85 -69.7 -32.51 71.15 Favored 'General case' 0 N--CA 1.472 0.656 0 CA-C-O 121.323 0.582 . . . . 0.0 109.523 178.1 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 47.9 t -61.83 -37.88 86.1 Favored 'General case' 0 N--CA 1.445 -0.695 0 CA-C-N 115.342 -0.844 . . . . 0.0 109.427 177.502 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . 0.493 ' HG2' ' O ' ' A' ' 32' ' ' ILE . 81.0 mm-40 -66.85 -34.06 76.97 Favored 'General case' 0 C--O 1.219 -0.522 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.794 178.631 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 53.9 mt-10 -61.49 -48.12 82.54 Favored 'General case' 0 CA--C 1.518 -0.259 0 N-CA-C 109.625 -0.509 . . . . 0.0 109.625 176.534 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -64.37 -46.39 83.58 Favored 'General case' 0 C--O 1.239 0.541 0 CA-C-N 115.233 -0.894 . . . . 0.0 109.469 -178.475 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 12.9 t70 -56.38 -51.02 69.89 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.61 -0.723 . . . . 0.0 110.693 178.398 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . 0.482 ' HG2' ' O ' ' A' ' 36' ' ' GLN . 15.2 mmt180 -66.28 -33.28 75.39 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.212 -0.449 . . . . 0.0 112.077 -177.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -65.34 -41.67 93.68 Favored 'General case' 0 CA--C 1.542 0.642 0 CA-C-O 121.626 0.727 . . . . 0.0 109.072 177.949 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 6.5 tt -70.26 -35.05 73.53 Favored 'General case' 0 C--N 1.323 -0.579 0 N-CA-C 108.769 -0.826 . . . . 0.0 108.769 178.246 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -65.55 -31.44 72.49 Favored 'General case' 0 N--CA 1.469 0.515 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.256 176.133 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.465 ' HG ' ' O ' ' A' ' 40' ' ' ARG . 95.0 mt -63.18 -45.5 91.5 Favored 'General case' 0 C--O 1.212 -0.904 0 N-CA-C 109.145 -0.687 . . . . 0.0 109.145 175.707 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 39.5 tp -57.18 -40.32 77.12 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.363 -0.835 . . . . 0.0 110.647 -179.568 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 74.3 mt -72.83 -50.5 32.75 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.917 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.476 178.13 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 30.8 tt0 . . . . . 0 N--CA 1.462 0.128 0 CA-C-N 115.998 -0.546 . . . . 0.0 111.131 -174.472 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 33.8 m . . . . . 0 C--O 1.217 -0.621 0 N-CA-C 111.339 0.126 . . . . 0.0 111.339 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 10.5 t -61.37 -33.08 73.06 Favored 'General case' 0 CA--C 1.541 0.625 0 CA-C-O 121.14 0.495 . . . . 0.0 110.703 178.178 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . 0.499 ' O ' ' HG3' ' A' ' 9' ' ' ARG 0.262 57.7 mmtt -77.73 -27.09 50.42 Favored 'General case' 0 N--CA 1.436 -1.163 0 N-CA-C 112.457 0.54 . . . . 0.0 112.457 176.467 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.429 ' O ' HG13 ' A' ' 10' ' ' ILE . 32.8 tp -68.38 -43.12 78.06 Favored 'General case' 0 C--N 1.321 -0.65 0 N-CA-C 108.033 -1.099 . . . . 0.0 108.033 172.833 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 11.1 m120 -57.02 -42.85 81.15 Favored 'General case' 0 N--CA 1.478 0.934 0 CA-C-O 121.616 0.722 . . . . 0.0 109.602 174.213 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . 0.45 ' HB3' ' O ' ' A' ' 5' ' ' LYS . 10.2 t70 -56.5 -41.99 77.61 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 114.605 -1.179 . . . . 0.0 110.892 177.702 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . 0.499 ' HG3' ' O ' ' A' ' 5' ' ' LYS . 82.9 mtp180 -64.99 -41.44 95.4 Favored 'General case' 0 N--CA 1.467 0.391 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.061 179.332 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . 0.519 ' O ' ' HG3' ' A' ' 14' ' ' LYS . 65.6 mt -60.36 -42.16 89.87 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-N 115.611 -0.722 . . . . 0.0 109.441 178.855 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 13.8 tp10 -59.34 -42.97 92.75 Favored 'General case' 0 C--O 1.243 0.743 0 CA-C-N 115.116 -0.947 . . . . 0.0 111.331 -177.543 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -72.95 -26.9 61.54 Favored 'General case' 0 C--N 1.316 -0.888 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.66 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 14.1 mmmm -76.68 -31.28 57.17 Favored 'General case' 0 C--N 1.31 -1.116 0 C-N-CA 120.242 -0.583 . . . . 0.0 110.699 -179.584 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.519 ' HG3' ' O ' ' A' ' 10' ' ' ILE . 92.7 mttt -59.53 -53.38 58.8 Favored 'General case' 0 CA--C 1.517 -0.326 0 N-CA-C 108.87 -0.789 . . . . 0.0 108.87 175.07 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . 0.551 ' HD3' ' N ' ' A' ' 16' ' ' GLU . 0.0 OUTLIER -65.05 -33.93 77.21 Favored 'General case' 0 N--CA 1.449 -0.491 0 CA-C-N 115.49 -0.777 . . . . 0.0 112.268 -176.346 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . 0.551 ' N ' ' HD3' ' A' ' 15' ' ' LYS . 40.3 tt0 -69.18 -43.44 74.21 Favored 'General case' 0 N--CA 1.439 -0.983 0 N-CA-C 109.171 -0.677 . . . . 0.0 109.171 179.047 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.467 ' O ' HG21 ' A' ' 21' ' ' VAL . 3.4 tm? -59.53 -48.17 82.68 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.866 -0.606 . . . . 0.0 109.583 178.701 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . 0.495 ' O ' ' HG2' ' A' ' 22' ' ' GLU . 86.9 mt -55.68 -49.32 74.93 Favored 'Isoleucine or valine' 0 C--O 1.238 0.484 0 O-C-N 123.495 0.497 . . . . 0.0 110.166 179.133 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 86.8 t80 -59.86 -40.21 87.84 Favored 'General case' 0 C--O 1.243 0.737 0 O-C-N 124.005 0.816 . . . . 0.0 111.019 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.48 ' HG ' ' O ' ' A' ' 16' ' ' GLU . 92.6 mt -71.0 -33.62 70.56 Favored 'General case' 0 C--N 1.314 -0.978 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.366 179.698 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . 0.467 HG21 ' O ' ' A' ' 17' ' ' LEU . 81.3 t -68.26 -33.48 60.8 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.744 0 N-CA-C 109.821 -0.437 . . . . 0.0 109.821 175.716 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . 0.495 ' HG2' ' O ' ' A' ' 18' ' ' ILE . 23.6 mm-40 -62.15 -48.78 78.57 Favored 'General case' 0 C--N 1.318 -0.784 0 CA-C-O 121.437 0.637 . . . . 0.0 109.977 177.016 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 34.4 mmtp -82.69 -41.77 18.92 Favored 'General case' 0 C--N 1.317 -0.81 0 N-CA-C 114.175 1.176 . . . . 0.0 114.175 -175.252 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . 0.441 ' HB3' ' CE1' ' A' ' 28' ' ' HIS . 98.3 m-85 -99.0 -41.85 7.38 Favored 'General case' 0 C--N 1.298 -1.666 0 N-CA-C 112.193 0.442 . . . . 0.0 112.193 -175.893 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 97.57 136.73 9.28 Favored Glycine 0 C--N 1.303 -1.288 0 C-N-CA 120.774 -0.727 . . . . 0.0 111.622 -178.068 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 26.5 t80 -84.0 92.42 7.84 Favored 'General case' 0 N--CA 1.433 -1.283 0 N-CA-C 108.598 -0.89 . . . . 0.0 108.598 -178.418 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 7.4 t -159.68 -41.21 0.05 Allowed 'General case' 0 C--N 1.297 -1.707 0 CA-C-N 115.701 -0.682 . . . . 0.0 110.488 178.445 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' HIS . . . . . 0.441 ' CE1' ' HB3' ' A' ' 24' ' ' TYR . 3.0 p-80 -87.07 159.79 18.81 Favored 'General case' 0 C--O 1.25 1.127 0 C-N-CA 120.298 -0.561 . . . . 0.0 111.372 179.411 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 57.8 m80 -56.68 -39.51 73.92 Favored 'General case' 0 N--CA 1.475 0.793 0 C-N-CA 124.196 0.998 . . . . 0.0 113.098 -172.323 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.414 ' HB3' ' CD2' ' A' ' 28' ' ' HIS . 53.9 tttp -49.95 -49.88 48.59 Favored 'General case' 0 C--O 1.252 1.23 0 O-C-N 123.809 0.693 . . . . 0.0 111.652 -179.266 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.515 ' HA ' ' CD2' ' A' ' 34' ' ' PHE . 70.3 t -73.22 -39.6 56.45 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.587 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.221 -177.732 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 61.8 mt -64.03 -36.61 77.42 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.699 0 CA-C-O 121.215 0.531 . . . . 0.0 110.072 -179.462 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 49.4 m -65.16 -28.17 69.22 Favored 'General case' 0 N--CA 1.443 -0.803 0 CA-C-N 115.943 -0.571 . . . . 0.0 111.536 177.824 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . 0.515 ' CD2' ' HA ' ' A' ' 31' ' ' VAL . 24.1 m-85 -69.62 -38.29 77.18 Favored 'General case' 0 C--N 1.344 0.328 0 N-CA-C 109.682 -0.488 . . . . 0.0 109.682 177.264 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 29.2 m -63.66 -32.31 73.75 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-O 121.086 0.469 . . . . 0.0 110.763 177.932 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . 0.438 ' O ' ' HG2' ' A' ' 40' ' ' ARG . 78.8 mt-30 -64.95 -31.54 72.82 Favored 'General case' 0 N--CA 1.451 -0.4 0 CA-C-N 115.817 -0.629 . . . . 0.0 110.26 176.711 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . 0.477 ' O ' ' HG ' ' A' ' 41' ' ' LEU . 51.7 mt-10 -64.42 -45.16 88.76 Favored 'General case' 0 C--O 1.224 -0.247 0 N-CA-C 108.66 -0.867 . . . . 0.0 108.66 177.635 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -59.91 -40.95 90.59 Favored 'General case' 0 N--CA 1.475 0.788 0 CA-C-N 115.746 -0.661 . . . . 0.0 110.811 177.545 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 12.2 t70 -56.5 -45.03 81.23 Favored 'General case' 0 C--O 1.245 0.852 0 CA-C-N 115.28 -0.873 . . . . 0.0 110.545 177.442 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . 0.518 ' O ' ' HG ' ' A' ' 44' ' ' LEU . 14.7 mmm180 -73.05 -43.1 62.4 Favored 'General case' 0 N--CA 1.445 -0.688 0 CA-C-N 115.598 -0.728 . . . . 0.0 111.017 -178.321 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.477 ' HG ' ' O ' ' A' ' 37' ' ' GLU . 92.9 mt -61.24 -42.81 99.27 Favored 'General case' 0 C--N 1.33 -0.27 0 O-C-N 123.092 0.245 . . . . 0.0 110.863 -179.544 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 58.4 tp -58.65 -43.08 89.67 Favored 'General case' 0 N--CA 1.464 0.252 0 CA-C-O 121.256 0.55 . . . . 0.0 110.236 175.38 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 3.2 t-20 -69.0 -32.88 72.75 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 115.767 -0.651 . . . . 0.0 110.719 -178.098 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.518 ' HG ' ' O ' ' A' ' 40' ' ' ARG . 81.1 mt -58.01 -33.11 68.59 Favored 'General case' 0 N--CA 1.471 0.622 0 N-CA-C 112.446 0.536 . . . . 0.0 112.446 -179.251 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 88.3 mt -60.6 -48.19 82.88 Favored 'General case' 0 N--CA 1.468 0.442 0 CA-C-O 121.749 0.785 . . . . 0.0 109.309 177.612 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 35.8 mt -69.38 -46.73 76.04 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.124 0 CA-C-N 114.416 -1.265 . . . . 0.0 109.018 -178.534 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 3.7 tm-20 . . . . . 0 C--N 1.312 -1.031 0 C-N-CA 124.466 1.107 . . . . 0.0 110.295 -177.604 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 33.1 m . . . . . 0 N--CA 1.471 0.584 0 N-CA-C 112.449 0.537 . . . . 0.0 112.449 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 10.3 t -55.71 -27.44 50.43 Favored 'General case' 0 CA--C 1.548 0.884 0 C-N-CA 123.466 0.706 . . . . 0.0 112.153 179.657 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . 0.537 ' O ' ' HG3' ' A' ' 9' ' ' ARG . 62.7 pttt -58.65 -34.58 71.37 Favored 'General case' 0 C--O 1.22 -0.497 0 CA-C-O 121.096 0.474 . . . . 0.0 110.32 -179.705 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.553 ' O ' HG13 ' A' ' 10' ' ' ILE . 42.0 tp -68.33 -45.73 72.11 Favored 'General case' 0 N--CA 1.44 -0.949 0 CA-C-N 115.806 -0.634 . . . . 0.0 109.652 -176.574 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 9.1 t30 -65.74 -35.12 79.82 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.513 -179.194 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . 0.45 ' O ' ' HB2' ' A' ' 11' ' ' GLU . 21.6 t70 -69.51 -36.73 76.72 Favored 'General case' 0 C--O 1.24 0.554 0 CA-C-N 115.857 -0.61 . . . . 0.0 110.38 179.319 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . 0.537 ' HG3' ' O ' ' A' ' 5' ' ' LYS . 71.7 mtp180 -70.21 -31.48 68.94 Favored 'General case' 0 C--N 1.325 -0.468 0 C-N-CA 120.776 -0.369 . . . . 0.0 110.523 177.942 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . 0.553 HG13 ' O ' ' A' ' 6' ' ' LEU . 73.3 mt -63.22 -43.51 98.79 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.224 0 N-CA-C 109.144 -0.687 . . . . 0.0 109.144 175.463 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . 0.45 ' HB2' ' O ' ' A' ' 8' ' ' ASP . 24.3 mm-40 -49.72 -48.6 49.88 Favored 'General case' 0 N--CA 1.483 1.216 0 C-N-CA 123.461 0.704 . . . . 0.0 110.623 176.027 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -69.28 -30.02 68.04 Favored 'General case' 0 C--N 1.307 -1.255 0 CA-C-N 115.154 -0.93 . . . . 0.0 112.029 -178.34 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 75.7 tttt -77.49 -30.71 53.18 Favored 'General case' 0 N--CA 1.445 -0.678 0 CA-C-O 121.651 0.738 . . . . 0.0 109.543 -171.694 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.494 ' O ' HG13 ' A' ' 18' ' ' ILE . 44.2 mtmt -71.18 -37.87 72.14 Favored 'General case' 0 C--N 1.306 -1.313 0 CA-C-N 114.813 -1.085 . . . . 0.0 110.075 178.155 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 51.7 mtpt -76.41 -30.04 57.3 Favored 'General case' 0 C--O 1.239 0.534 0 CA-C-O 121.114 0.483 . . . . 0.0 110.297 179.006 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 6.8 tp10 -63.39 -45.14 92.42 Favored 'General case' 0 C--N 1.319 -0.74 0 N-CA-C 107.637 -1.246 . . . . 0.0 107.637 175.077 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.485 ' O ' HG22 ' A' ' 21' ' ' VAL . 31.6 tp -65.42 -34.04 77.35 Favored 'General case' 0 N--CA 1.439 -0.989 0 CA-C-N 114.804 -1.089 . . . . 0.0 110.661 -179.375 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . 0.494 HG13 ' O ' ' A' ' 14' ' ' LYS . 75.0 mt -58.19 -44.18 87.24 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.624 0 N-CA-C 109.539 -0.541 . . . . 0.0 109.539 175.145 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 91.5 t80 -61.68 -37.3 83.59 Favored 'General case' 0 CA--C 1.542 0.64 0 CA-C-O 121.551 0.691 . . . . 0.0 110.725 179.134 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.424 HD12 ' CD2' ' A' ' 34' ' ' PHE . 81.8 mt -71.24 -37.38 71.99 Favored 'General case' 0 C--N 1.305 -1.358 0 CA-C-N 115.624 -0.716 . . . . 0.0 111.086 179.087 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . 0.485 HG22 ' O ' ' A' ' 17' ' ' LEU . 63.3 t -70.46 -34.69 58.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 N-CA-C 109.599 -0.519 . . . . 0.0 109.599 177.25 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 2.9 tm-20 -60.71 -52.87 63.26 Favored 'General case' 0 N--CA 1.418 -2.035 0 C-N-CA 124.12 0.968 . . . . 0.0 109.344 177.488 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 33.4 mmtm -82.92 -30.53 28.35 Favored 'General case' 0 C--N 1.318 -0.763 0 N-CA-C 116.626 2.084 . . . . 0.0 116.626 -177.002 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 36.7 m-85 -105.96 -48.6 3.58 Favored 'General case' 0 C--N 1.302 -1.459 0 C-N-CA 120.263 -0.575 . . . . 0.0 112.079 179.773 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 122.39 -173.06 15.87 Favored Glycine 0 C--N 1.291 -1.943 0 N-CA-C 109.392 -1.483 . . . . 0.0 109.392 -174.536 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 51.6 p90 -100.08 -12.4 19.71 Favored 'General case' 0 C--N 1.309 -1.168 0 CA-C-N 118.009 0.904 . . . . 0.0 111.635 -179.54 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 15.4 p -93.38 17.77 10.81 Favored 'General case' 0 C--N 1.313 -1.021 0 CA-C-O 121.154 0.502 . . . . 0.0 111.468 -178.805 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 15.7 t60 -101.22 130.9 47.41 Favored 'General case' 0 C--N 1.304 -1.404 0 N-CA-C 108.331 -0.988 . . . . 0.0 108.331 -177.312 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 52.0 t-80 -58.13 -38.97 77.55 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 112.95 0.722 . . . . 0.0 112.95 -175.012 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 90.4 mttt -56.86 -45.6 82.35 Favored 'General case' 0 N--CA 1.484 1.274 0 N-CA-C 109.406 -0.59 . . . . 0.0 109.406 178.643 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 99.5 t -58.84 -43.88 89.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 CA-C-N 115.364 -0.834 . . . . 0.0 110.432 -179.489 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 68.8 mt -66.18 -36.46 77.46 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.737 0 CA-C-N 116.005 -0.543 . . . . 0.0 109.993 178.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 46.7 t -65.77 -41.76 91.66 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.25 177.357 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . 0.424 ' CD2' HD12 ' A' ' 20' ' ' LEU . 68.0 m-85 -70.68 -36.63 73.42 Favored 'General case' 0 C--N 1.327 -0.377 0 C-N-CA 120.392 -0.523 . . . . 0.0 110.742 178.474 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 22.8 t -61.57 -47.01 87.45 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.277 -178.784 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 11.3 pt20 -68.05 -30.1 69.22 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 121.21 0.528 . . . . 0.0 111.444 179.618 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 35.4 mm-40 -72.92 -33.21 65.83 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.343 0.592 . . . . 0.0 110.134 177.111 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 5.8 tt -70.77 -42.25 70.66 Favored 'General case' 0 C--N 1.312 -1.063 0 N-CA-C 107.612 -1.255 . . . . 0.0 107.612 177.83 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 27.8 t70 -56.81 -45.98 81.91 Favored 'General case' 0 C--N 1.317 -0.845 0 CA-C-N 115.021 -0.99 . . . . 0.0 110.382 177.744 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 22.9 tpp180 -65.33 -35.4 80.89 Favored 'General case' 0 CA--C 1.543 0.683 0 CA-C-N 115.695 -0.684 . . . . 0.0 111.139 177.204 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 38.9 tp -66.61 -39.46 88.35 Favored 'General case' 0 N--CA 1.444 -0.743 0 N-CA-C 109.45 -0.574 . . . . 0.0 109.45 -179.245 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 57.4 tp -67.72 -35.13 78.2 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.536 -0.756 . . . . 0.0 110.398 178.107 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 13.3 m120 -58.28 -34.65 70.75 Favored 'General case' 0 N--CA 1.478 0.927 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.603 178.074 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 87.7 mt -57.18 -32.97 66.98 Favored 'General case' 0 C--O 1.22 -0.448 0 N-CA-C 113.0 0.741 . . . . 0.0 113.0 -177.351 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 94.1 mt -61.45 -43.1 99.46 Favored 'General case' 0 C--O 1.243 0.732 0 CA-C-O 121.454 0.645 . . . . 0.0 110.01 178.464 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 2.9 mp -73.9 -49.03 36.5 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.146 0 CA-C-N 115.479 -0.782 . . . . 0.0 109.268 179.329 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 68.1 mm-40 . . . . . 0 C--N 1.314 -0.936 0 N-CA-C 113.895 1.072 . . . . 0.0 113.895 -175.464 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 33.3 m . . . . . 0 C--O 1.211 -0.94 0 N-CA-C 114.56 1.319 . . . . 0.0 114.56 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 8.9 t -54.96 -38.7 68.1 Favored 'General case' 0 CA--C 1.56 1.33 0 CA-C-O 121.151 0.501 . . . . 0.0 111.505 179.656 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 73.2 mmtt -79.01 -27.68 43.27 Favored 'General case' 0 C--O 1.24 0.583 0 CA-C-O 120.964 0.411 . . . . 0.0 111.795 179.351 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.471 ' O ' HG13 ' A' ' 10' ' ' ILE . 26.2 tp -72.95 -47.82 42.16 Favored 'General case' 0 C--N 1.314 -0.965 0 N-CA-C 108.224 -1.028 . . . . 0.0 108.224 178.754 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 13.6 m120 -58.18 -43.9 87.73 Favored 'General case' 0 N--CA 1.469 0.521 0 CA-C-N 115.455 -0.793 . . . . 0.0 111.236 177.194 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 21.0 t70 -55.59 -44.15 76.68 Favored 'General case' 0 N--CA 1.473 0.696 0 CA-C-N 115.833 -0.621 . . . . 0.0 111.857 178.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 59.0 mtm180 -68.64 -32.1 71.71 Favored 'General case' 0 C--N 1.317 -0.839 0 N-CA-C 112.459 0.541 . . . . 0.0 112.459 179.126 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . 0.514 ' O ' ' HG3' ' A' ' 14' ' ' LYS . 60.6 mt -66.71 -45.86 87.14 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.581 0 N-CA-C 108.369 -0.974 . . . . 0.0 108.369 177.177 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 5.3 tp10 -57.98 -49.27 77.37 Favored 'General case' 0 C--O 1.256 1.438 0 CA-C-N 114.868 -1.06 . . . . 0.0 109.505 -179.45 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -59.91 -37.08 78.41 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 114.661 -1.154 . . . . 0.0 111.701 179.703 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 29.0 mmtm -71.6 -31.63 67.12 Favored 'General case' 0 CA--C 1.504 -0.823 0 N-CA-C 111.994 0.368 . . . . 0.0 111.994 -177.062 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.514 ' HG3' ' O ' ' A' ' 10' ' ' ILE . 88.9 mttt -61.45 -51.15 69.91 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-O 121.656 0.741 . . . . 0.0 109.387 178.02 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 72.2 mmtt -71.08 -27.32 63.53 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 114.951 -1.022 . . . . 0.0 110.726 -175.37 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 35.8 tt0 -78.1 -36.76 47.66 Favored 'General case' 0 C--N 1.31 -1.134 0 CA-C-N 115.182 -0.917 . . . . 0.0 108.987 -176.642 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 13.6 mt -61.05 -40.02 92.03 Favored 'General case' 0 N--CA 1.43 -1.454 0 CA-C-N 115.092 -0.958 . . . . 0.0 111.047 174.855 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . 0.509 ' O ' ' HG3' ' A' ' 22' ' ' GLU . 76.0 mt -57.25 -45.49 84.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 123.655 0.597 . . . . 0.0 109.909 177.155 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 79.1 t80 -59.11 -49.11 79.14 Favored 'General case' 0 C--O 1.236 0.355 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.635 177.003 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 79.0 mt -63.62 -41.68 98.27 Favored 'General case' 0 C--N 1.314 -0.943 0 CA-C-N 115.985 -0.552 . . . . 0.0 111.211 -178.191 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 71.2 t -60.97 -44.75 98.75 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.663 0 CA-C-N 116.513 -0.312 . . . . 0.0 110.78 175.84 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . 0.509 ' HG3' ' O ' ' A' ' 18' ' ' ILE . 29.2 mt-10 -67.98 -31.73 71.64 Favored 'General case' 0 C--N 1.316 -0.871 0 C-N-CA 120.56 -0.456 . . . . 0.0 111.82 -179.458 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 14.3 mmmm -82.83 -48.11 11.13 Favored 'General case' 0 C--N 1.317 -0.81 0 N-CA-C 113.666 0.987 . . . . 0.0 113.666 179.667 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 67.0 m-85 -108.19 -36.89 6.17 Favored 'General case' 0 C--N 1.309 -1.181 0 N-CA-C 112.191 0.441 . . . . 0.0 112.191 -173.297 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 115.66 -159.65 13.71 Favored Glycine 0 C--N 1.294 -1.787 0 N-CA-C 110.836 -0.906 . . . . 0.0 110.836 -175.538 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 98.2 m-85 -102.86 -15.63 16.15 Favored 'General case' 0 C--N 1.315 -0.917 0 N-CA-C 111.691 0.256 . . . . 0.0 111.691 -178.119 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 7.4 m -82.18 -18.67 41.89 Favored 'General case' 0 C--N 1.317 -0.826 0 CA-C-O 121.353 0.597 . . . . 0.0 110.893 -174.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 44.7 t60 -59.52 122.94 15.29 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-N 115.46 -0.791 . . . . 0.0 110.959 -179.114 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 77.3 m-70 -54.52 -43.45 71.92 Favored 'General case' 0 N--CA 1.473 0.684 0 C-N-CA 124.579 1.152 . . . . 0.0 112.79 -174.198 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 68.1 mttm -64.31 -37.74 88.56 Favored 'General case' 0 C--O 1.218 -0.562 0 C-N-CA 120.938 -0.305 . . . . 0.0 110.805 179.767 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 92.9 t -61.91 -45.91 97.65 Favored 'Isoleucine or valine' 0 C--O 1.238 0.47 0 N-CA-C 109.491 -0.559 . . . . 0.0 109.491 -179.793 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . 0.4 ' O ' ' HG3' ' A' ' 36' ' ' GLN . 60.5 mt -60.49 -46.68 95.0 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.616 0 CA-C-N 115.492 -0.777 . . . . 0.0 109.055 177.374 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 43.1 m -59.74 -40.58 88.54 Favored 'General case' 0 CA--C 1.55 0.967 0 CA-C-N 115.585 -0.734 . . . . 0.0 112.048 179.781 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 32.3 m-85 -73.21 -30.46 63.52 Favored 'General case' 0 C--O 1.227 -0.118 0 O-C-N 122.112 -0.367 . . . . 0.0 111.176 178.441 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 41.2 m -64.31 -39.48 93.98 Favored 'General case' 0 C--O 1.243 0.72 0 N-CA-C 109.146 -0.687 . . . . 0.0 109.146 176.38 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . 0.4 ' HG3' ' O ' ' A' ' 32' ' ' ILE . 89.8 mt-30 -70.18 -34.1 72.55 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 114.873 -1.058 . . . . 0.0 109.925 177.415 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 7.3 tp10 -65.33 -49.92 67.6 Favored 'General case' 0 C--N 1.33 -0.281 0 C-N-CA 123.478 0.711 . . . . 0.0 109.325 178.481 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 5.8 tt -58.38 -46.24 86.73 Favored 'General case' 0 N--CA 1.469 0.51 0 C-N-CA 123.896 0.878 . . . . 0.0 109.183 179.406 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 20.8 t70 -59.57 -41.28 89.83 Favored 'General case' 0 C--O 1.241 0.652 0 CA-C-N 115.359 -0.837 . . . . 0.0 110.755 178.677 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . 0.485 ' O ' ' HG ' ' A' ' 44' ' ' LEU . 31.6 tpt180 -69.2 -40.25 78.13 Favored 'General case' 0 C--N 1.316 -0.863 0 CA-C-N 115.319 -0.855 . . . . 0.0 110.54 179.147 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 98.1 mt -61.25 -43.18 99.29 Favored 'General case' 0 N--CA 1.469 0.485 0 N-CA-C 110.06 -0.348 . . . . 0.0 110.06 177.873 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 51.4 tp -61.21 -44.11 97.81 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.452 0.644 . . . . 0.0 109.412 175.747 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 22.4 t-20 -63.7 -26.34 68.61 Favored 'General case' 0 C--O 1.209 -1.042 0 CA-C-N 115.3 -0.864 . . . . 0.0 111.776 -179.76 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.485 ' HG ' ' O ' ' A' ' 40' ' ' ARG . 80.3 mt -64.44 -39.1 93.18 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-O 120.825 0.345 . . . . 0.0 110.142 176.203 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 92.0 mt -67.29 -39.69 86.0 Favored 'General case' 0 C--O 1.238 0.487 0 N-CA-C 109.243 -0.651 . . . . 0.0 109.243 176.926 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 71.0 mt -64.03 -48.46 85.83 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.675 0 CA-C-N 114.891 -1.05 . . . . 0.0 109.999 178.758 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 22.4 mm-40 . . . . . 0 CA--C 1.501 -0.923 0 N-CA-C 113.823 1.046 . . . . 0.0 113.823 -179.347 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 28.6 m . . . . . 0 CA--C 1.532 0.287 0 N-CA-C 111.985 0.365 . . . . 0.0 111.985 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 10.1 t -66.63 -34.38 77.75 Favored 'General case' 0 CA--C 1.553 1.07 0 CA-C-O 120.808 0.337 . . . . 0.0 110.524 177.14 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 53.5 mttp -69.93 -38.41 76.21 Favored 'General case' 0 C--O 1.243 0.714 0 N-CA-C 109.472 -0.566 . . . . 0.0 109.472 177.172 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.402 ' O ' HG13 ' A' ' 10' ' ' ILE . 33.5 tp -63.52 -44.03 95.44 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 114.697 -1.138 . . . . 0.0 109.46 179.194 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' ASN . . . . . 0.443 ' O ' ' HB ' ' A' ' 10' ' ' ILE . 3.7 t-20 -63.18 -42.58 99.39 Favored 'General case' 0 N--CA 1.464 0.265 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.669 179.392 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 15.3 t70 -59.81 -38.29 81.54 Favored 'General case' 0 N--CA 1.478 0.932 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.275 178.469 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 79.2 mtp180 -63.98 -40.46 96.43 Favored 'General case' 0 N--CA 1.47 0.537 0 CA-C-N 115.887 -0.597 . . . . 0.0 109.978 176.81 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . 0.443 ' HB ' ' O ' ' A' ' 7' ' ' ASN . 73.6 mt -59.27 -44.11 91.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-N 115.32 -0.855 . . . . 0.0 110.078 177.784 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 39.4 mt-10 -60.64 -37.49 81.66 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 116.015 -0.539 . . . . 0.0 111.532 -179.485 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -72.66 -37.0 68.08 Favored 'General case' 0 C--N 1.311 -1.082 0 CA-C-O 121.204 0.526 . . . . 0.0 110.54 178.723 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 48.0 mttm -72.94 -33.91 66.23 Favored 'General case' 0 C--N 1.321 -0.642 0 N-CA-C 112.112 0.412 . . . . 0.0 112.112 -178.685 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.529 ' O ' HG12 ' A' ' 18' ' ' ILE . 13.3 ptmm? -73.44 -29.53 62.61 Favored 'General case' 0 C--N 1.313 -0.998 0 C-N-CA 120.765 -0.374 . . . . 0.0 111.173 -179.258 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -71.86 -29.94 64.91 Favored 'General case' 0 C--O 1.241 0.642 0 CA-C-O 121.86 0.838 . . . . 0.0 110.453 176.305 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . 0.521 ' O ' ' HG ' ' A' ' 20' ' ' LEU . 12.6 tp10 -67.88 -43.96 78.16 Favored 'General case' 0 C--N 1.318 -0.785 0 N-CA-C 106.255 -1.757 . . . . 0.0 106.255 -179.635 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.459 ' O ' HG22 ' A' ' 21' ' ' VAL . 14.9 mt -54.84 -44.52 74.02 Favored 'General case' 0 C--O 1.207 -1.157 0 CA-C-N 113.778 -1.556 . . . . 0.0 112.433 176.387 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . 0.535 ' O ' ' HG3' ' A' ' 22' ' ' GLU . 34.9 mm -54.4 -50.15 59.54 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.818 0 O-C-N 123.869 0.731 . . . . 0.0 109.089 179.37 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 88.8 t80 -60.89 -47.39 86.6 Favored 'General case' 0 N--CA 1.447 -0.623 0 CA-C-N 114.785 -1.098 . . . . 0.0 110.598 179.485 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.521 ' HG ' ' O ' ' A' ' 16' ' ' GLU . 87.8 mt -62.33 -46.03 90.56 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 115.851 -0.613 . . . . 0.0 111.76 -178.448 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . 0.459 HG22 ' O ' ' A' ' 17' ' ' LEU . 84.3 t -58.37 -43.0 85.48 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.467 0 C-N-CA 122.874 0.469 . . . . 0.0 111.306 179.107 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . 0.535 ' HG3' ' O ' ' A' ' 18' ' ' ILE . 49.7 mt-10 -66.13 -48.7 69.97 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-O 121.462 0.648 . . . . 0.0 110.959 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 46.1 mmtm -79.83 -41.2 26.86 Favored 'General case' 0 C--N 1.312 -1.028 0 N-CA-C 113.409 0.892 . . . . 0.0 113.409 -170.564 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 81.5 m-85 -99.47 -27.7 13.6 Favored 'General case' 0 C--N 1.312 -1.035 0 CA-C-O 120.917 0.389 . . . . 0.0 111.908 -176.836 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 116.32 146.96 8.73 Favored Glycine 0 C--N 1.303 -1.25 0 C-N-CA 120.279 -0.963 . . . . 0.0 112.101 178.83 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 30.5 p90 -73.71 -15.54 61.22 Favored 'General case' 0 N--CA 1.472 0.633 0 CA-C-O 121.704 0.764 . . . . 0.0 110.265 178.411 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 3.9 m -90.25 -3.55 57.74 Favored 'General case' 0 N--CA 1.436 -1.168 0 CA-C-N 115.064 -0.971 . . . . 0.0 109.788 179.614 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 14.6 t60 -79.41 109.69 14.01 Favored 'General case' 0 N--CA 1.44 -0.956 0 N-CA-C 108.216 -1.031 . . . . 0.0 108.216 -177.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 49.2 m80 -60.18 -31.04 69.75 Favored 'General case' 0 C--N 1.318 -0.784 0 N-CA-C 115.016 1.487 . . . . 0.0 115.016 -172.435 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 49.4 mmtm -64.31 -35.62 81.44 Favored 'General case' 0 C--N 1.323 -0.568 0 C-N-CA 119.653 -0.819 . . . . 0.0 110.483 175.934 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 57.9 t -69.17 -38.62 78.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 N-CA-C 108.863 -0.791 . . . . 0.0 108.863 177.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 65.0 mt -64.62 -37.04 79.06 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.661 0 CA-C-N 115.592 -0.731 . . . . 0.0 109.941 176.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 30.3 t -60.89 -41.99 97.14 Favored 'General case' 0 C--N 1.322 -0.6 0 N-CA-C 109.53 -0.544 . . . . 0.0 109.53 175.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 16.6 m-85 -68.11 -33.72 75.04 Favored 'General case' 0 N--CA 1.468 0.449 0 N-CA-C 109.916 -0.401 . . . . 0.0 109.916 178.446 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 21.8 t -64.39 -38.75 92.13 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-N 116.153 -0.476 . . . . 0.0 109.812 178.262 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 47.3 mt-30 -71.39 -34.02 70.01 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 121.301 0.572 . . . . 0.0 110.272 177.08 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 6.1 tm-20 -64.08 -43.26 95.98 Favored 'General case' 0 C--N 1.321 -0.664 0 N-CA-C 107.747 -1.205 . . . . 0.0 107.747 178.271 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -66.43 -46.98 74.67 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 114.425 -1.261 . . . . 0.0 109.153 177.7 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 14.9 t70 -56.81 -41.67 78.17 Favored 'General case' 0 C--N 1.321 -0.656 0 C-N-CA 123.822 0.849 . . . . 0.0 111.401 179.713 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 26.9 tpt180 -68.11 -37.13 80.82 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.567 -179.757 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.413 ' O ' ' HB2' ' A' ' 44' ' ' LEU . 95.5 mt -64.92 -41.1 95.84 Favored 'General case' 0 CA--C 1.515 -0.367 0 CA-C-O 121.145 0.498 . . . . 0.0 109.916 176.935 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 66.4 tp -62.52 -37.89 87.82 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.721 -0.672 . . . . 0.0 109.904 177.095 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 2.0 t-20 -67.61 -32.32 72.95 Favored 'General case' 0 C--O 1.206 -1.199 0 CA-C-N 115.414 -0.812 . . . . 0.0 110.039 -178.392 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.413 ' HB2' ' O ' ' A' ' 41' ' ' LEU . 73.2 mt -56.21 -46.01 79.66 Favored 'General case' 0 N--CA 1.469 0.491 0 C-N-CA 123.158 0.583 . . . . 0.0 110.909 176.873 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 88.7 mt -60.23 -50.09 75.02 Favored 'General case' 0 CA--C 1.514 -0.421 0 CA-C-N 115.791 -0.64 . . . . 0.0 109.697 179.306 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 66.3 mt -61.43 -47.39 93.65 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.981 0 CA-C-N 114.906 -1.043 . . . . 0.0 110.741 -178.622 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.245 0.841 0 C-N-CA 124.351 1.061 . . . . 0.0 109.842 -177.308 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 27.8 m . . . . . 0 C--O 1.218 -0.582 0 CA-C-O 120.82 0.343 . . . . 0.0 110.683 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 14.2 t -65.52 -30.58 71.35 Favored 'General case' 0 CA--C 1.545 0.777 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.31 178.465 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 97.5 mttt -78.17 -30.87 49.35 Favored 'General case' 0 CA--C 1.512 -0.517 0 CA-C-O 121.267 0.556 . . . . 0.0 109.853 179.528 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 35.5 tp -72.6 -41.74 65.3 Favored 'General case' 0 C--N 1.314 -0.942 0 N-CA-C 108.421 -0.955 . . . . 0.0 108.421 177.481 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 3.2 t-20 -59.75 -42.03 92.29 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.258 -0.883 . . . . 0.0 109.884 176.668 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 25.2 t70 -57.39 -35.2 69.7 Favored 'General case' 0 N--CA 1.471 0.603 0 CA-C-N 115.842 -0.617 . . . . 0.0 111.581 177.175 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 79.4 mtp180 -69.82 -42.12 74.08 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.112 178.233 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 74.9 mt -61.83 -46.38 96.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 N-CA-C 109.016 -0.735 . . . . 0.0 109.016 177.733 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 36.2 tt0 -59.87 -38.98 83.72 Favored 'General case' 0 C--N 1.312 -1.027 0 CA-C-N 114.578 -1.192 . . . . 0.0 110.406 -179.75 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -72.71 -34.72 67.31 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.949 -0.569 . . . . 0.0 111.236 178.625 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 16.6 tppt? -69.37 -34.93 75.3 Favored 'General case' 0 C--N 1.32 -0.7 0 N-CA-C 109.064 -0.717 . . . . 0.0 109.064 -178.445 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.4 ' O ' HG13 ' A' ' 18' ' ' ILE . 54.2 mttm -61.69 -41.47 97.63 Favored 'General case' 0 C--N 1.311 -1.098 0 CA-C-N 115.113 -0.949 . . . . 0.0 111.156 175.207 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 45.9 mmtm -65.55 -31.74 72.96 Favored 'General case' 0 N--CA 1.47 0.554 0 CA-C-O 121.384 0.612 . . . . 0.0 110.054 179.747 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . 0.512 ' O ' ' HG ' ' A' ' 20' ' ' LEU . 37.3 tt0 -72.08 -47.8 48.82 Favored 'General case' 0 N--CA 1.437 -1.088 0 CA-C-N 114.908 -1.042 . . . . 0.0 108.27 -178.36 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.436 ' O ' HG22 ' A' ' 21' ' ' VAL . 3.2 mm? -57.53 -49.77 75.26 Favored 'General case' 0 C--N 1.316 -0.856 0 CA-C-N 115.097 -0.956 . . . . 0.0 112.131 176.825 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . 0.4 HG13 ' O ' ' A' ' 14' ' ' LYS . 85.6 mt -56.42 -39.68 62.65 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.643 0 CA-C-O 120.872 0.368 . . . . 0.0 110.518 178.867 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 36.9 t80 -65.13 -46.83 79.38 Favored 'General case' 0 C--O 1.246 0.905 0 CA-C-N 115.603 -0.726 . . . . 0.0 110.308 179.412 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.512 ' HG ' ' O ' ' A' ' 16' ' ' GLU . 86.1 mt -64.66 -41.07 96.36 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.617 -0.719 . . . . 0.0 110.959 -178.194 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . 0.436 HG22 ' O ' ' A' ' 17' ' ' LEU . 85.4 t -60.53 -33.03 52.92 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.735 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.509 176.842 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 74.2 mm-40 -68.44 -48.96 63.2 Favored 'General case' 0 C--N 1.316 -0.891 0 N-CA-C 113.168 0.803 . . . . 0.0 113.168 177.037 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 61.9 mttp -82.66 -42.95 17.5 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 114.842 1.423 . . . . 0.0 114.842 -178.299 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 64.3 m-85 -91.35 -49.67 6.22 Favored 'General case' 0 C--N 1.312 -1.049 0 CA-C-O 121.678 0.751 . . . . 0.0 109.408 -178.5 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . 0.403 ' O ' ' HA ' ' A' ' 21' ' ' VAL . . . 121.58 -163.45 15.01 Favored Glycine 0 N--CA 1.42 -2.419 0 N-CA-C 109.479 -1.448 . . . . 0.0 109.479 -175.74 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 35.5 p90 -111.55 170.54 8.06 Favored 'General case' 0 C--N 1.288 -2.084 0 N-CA-C 108.624 -0.88 . . . . 0.0 108.624 179.136 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 30.5 p 61.89 9.93 3.25 Favored 'General case' 0 CA--C 1.551 0.991 0 C-N-CA 125.304 1.442 . . . . 0.0 113.699 -176.381 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 65.2 t60 -78.5 137.61 38.02 Favored 'General case' 0 N--CA 1.446 -0.631 0 N-CA-C 107.222 -1.399 . . . . 0.0 107.222 177.143 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 56.0 m-70 -66.79 -33.44 75.63 Favored 'General case' 0 C--N 1.314 -0.944 0 N-CA-C 115.102 1.519 . . . . 0.0 115.102 -170.83 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 63.0 mttp -64.45 -41.87 96.3 Favored 'General case' 0 CA--C 1.51 -0.583 0 N-CA-C 108.41 -0.959 . . . . 0.0 108.41 173.483 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 96.1 t -62.07 -39.56 84.23 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.614 0 CA-C-N 115.309 -0.859 . . . . 0.0 109.624 178.436 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 75.4 mt -60.73 -44.65 97.73 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.659 0 CA-C-O 121.196 0.522 . . . . 0.0 109.962 174.867 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 41.7 m -63.0 -34.95 78.64 Favored 'General case' 0 C--N 1.313 -0.995 0 CA-C-N 115.98 -0.555 . . . . 0.0 111.209 178.111 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 20.9 m-85 -77.78 -30.68 51.51 Favored 'General case' 0 C--N 1.32 -0.71 0 O-C-N 121.847 -0.533 . . . . 0.0 111.559 176.238 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 50.4 m -66.18 -40.99 90.88 Favored 'General case' 0 C--O 1.242 0.673 0 CA-C-O 120.95 0.405 . . . . 0.0 110.358 179.046 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . 0.581 ' O ' ' HG2' ' A' ' 40' ' ' ARG . 10.7 pt20 -72.2 -28.65 63.33 Favored 'General case' 0 C--O 1.208 -1.11 0 CA-C-N 116.215 -0.448 . . . . 0.0 109.965 176.034 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 38.5 tt0 -66.55 -39.43 88.54 Favored 'General case' 0 CA--C 1.535 0.373 0 CA-C-O 121.184 0.516 . . . . 0.0 109.656 176.651 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -61.01 -44.06 97.98 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 108.124 -1.065 . . . . 0.0 108.124 174.112 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 21.7 t70 -63.57 -34.85 78.71 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 114.985 -1.007 . . . . 0.0 111.112 179.291 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . 0.581 ' HG2' ' O ' ' A' ' 36' ' ' GLN . 28.0 mmt180 -62.48 -46.86 86.55 Favored 'General case' 0 CA--C 1.509 -0.61 0 N-CA-C 109.467 -0.568 . . . . 0.0 109.467 176.542 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 93.3 mt -61.69 -41.52 97.7 Favored 'General case' 0 CA--C 1.52 -0.193 0 CA-C-N 115.576 -0.738 . . . . 0.0 110.518 179.528 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 58.5 tp -64.26 -40.86 96.85 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 121.471 0.653 . . . . 0.0 109.819 177.581 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 9.6 m-80 -68.85 -20.0 64.27 Favored 'General case' 0 C--O 1.205 -1.249 0 CA-C-N 115.528 -0.76 . . . . 0.0 112.486 178.898 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.444 ' HG ' ' O ' ' A' ' 40' ' ' ARG . 80.2 mt -62.52 -31.53 72.32 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 111.889 0.329 . . . . 0.0 111.889 178.955 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 6.7 mp -67.95 -36.2 79.69 Favored 'General case' 0 N--CA 1.469 0.515 0 CA-C-O 121.44 0.638 . . . . 0.0 109.906 176.831 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 69.9 mt -73.02 -46.73 50.63 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.837 0 CA-C-N 115.214 -0.903 . . . . 0.0 108.773 178.117 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 23.6 tp10 . . . . . 0 C--N 1.317 -0.826 0 C-N-CA 125.858 1.663 . . . . 0.0 111.116 -179.964 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 35.5 m . . . . . 0 N--CA 1.464 0.259 0 N-CA-C 114.224 1.194 . . . . 0.0 114.224 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 15.3 t -63.9 -37.31 86.94 Favored 'General case' 0 C--O 1.208 -1.1 0 C-N-CA 119.858 -0.737 . . . . 0.0 110.526 179.941 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 30.8 mmmt -68.67 -32.96 73.17 Favored 'General case' 0 CA--C 1.503 -0.862 0 CA-C-O 121.149 0.5 . . . . 0.0 109.991 -178.116 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 53.2 tp -69.15 -51.18 40.9 Favored 'General case' 0 C--N 1.304 -1.397 0 CA-C-N 115.143 -0.935 . . . . 0.0 109.468 178.732 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' ASN . . . . . 0.433 ' O ' ' HG2' ' A' ' 11' ' ' GLU . 0.2 OUTLIER -64.51 -39.31 93.55 Favored 'General case' 0 CA--C 1.534 0.362 0 CA-C-N 115.95 -0.568 . . . . 0.0 109.835 -178.379 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 18.1 m-20 -63.14 -38.07 89.73 Favored 'General case' 0 N--CA 1.474 0.755 0 N-CA-C 112.174 0.435 . . . . 0.0 112.174 178.344 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 70.8 mtp180 -65.29 -38.85 91.5 Favored 'General case' 0 CA--C 1.51 -0.587 0 CA-C-O 120.848 0.356 . . . . 0.0 110.129 176.277 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 84.3 mt -61.0 -45.09 99.22 Favored 'Isoleucine or valine' 0 C--O 1.206 -1.212 0 CA-C-N 115.701 -0.681 . . . . 0.0 109.699 177.03 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . 0.433 ' HG2' ' O ' ' A' ' 7' ' ' ASN . 20.4 mm-40 -59.39 -36.17 75.31 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-O 121.207 0.527 . . . . 0.0 111.491 178.398 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -73.21 -36.77 66.55 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-O 121.023 0.439 . . . . 0.0 110.07 178.277 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . 0.417 ' O ' ' HB3' ' A' ' 16' ' ' GLU . 4.0 tmtm? -71.8 -38.69 70.21 Favored 'General case' 0 C--N 1.317 -0.83 0 CA-C-N 115.374 -0.83 . . . . 0.0 109.003 -178.297 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.643 ' O ' HG12 ' A' ' 18' ' ' ILE . 55.7 mtpt -59.03 -53.26 60.43 Favored 'General case' 0 C--N 1.316 -0.877 0 C-N-CA 123.443 0.697 . . . . 0.0 111.493 178.689 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 31.9 mmmt -65.77 -26.79 67.88 Favored 'General case' 0 N--CA 1.476 0.872 0 CA-C-O 121.495 0.664 . . . . 0.0 110.756 -179.755 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . 0.417 ' HB3' ' O ' ' A' ' 13' ' ' LYS . 30.8 tt0 -67.1 -47.81 70.06 Favored 'General case' 0 C--N 1.314 -0.965 0 N-CA-C 108.344 -0.984 . . . . 0.0 108.344 176.769 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.531 ' O ' HG22 ' A' ' 21' ' ' VAL . 4.0 mt -61.29 -41.36 96.84 Favored 'General case' 0 C--O 1.197 -1.696 0 CA-C-N 114.705 -1.134 . . . . 0.0 111.987 179.493 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . 0.643 HG12 ' O ' ' A' ' 14' ' ' LYS . 36.6 mm -52.65 -47.26 49.97 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.978 0 CA-C-O 121.688 0.756 . . . . 0.0 108.968 178.557 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 79.0 t80 -63.33 -49.68 72.98 Favored 'General case' 0 C--N 1.313 -0.993 0 CA-C-N 114.299 -1.319 . . . . 0.0 110.405 179.04 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 90.8 mt -65.8 -34.81 79.02 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 112.446 0.535 . . . . 0.0 112.446 -177.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . 0.531 HG22 ' O ' ' A' ' 17' ' ' LEU . 71.7 t -62.24 -45.35 98.95 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.608 0 N-CA-C 109.892 -0.41 . . . . 0.0 109.892 177.409 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . 0.497 ' HG2' ' O ' ' A' ' 18' ' ' ILE . 47.3 mm-40 -67.61 -45.84 74.28 Favored 'General case' 0 C--N 1.318 -0.781 0 CA-C-O 121.344 0.592 . . . . 0.0 110.08 179.538 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 23.6 tptm -65.34 -48.38 73.2 Favored 'General case' 0 N--CA 1.428 -1.547 0 C-N-CA 123.858 0.863 . . . . 0.0 113.271 -177.119 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 66.2 m-85 -105.58 5.38 31.26 Favored 'General case' 0 C--N 1.32 -0.679 0 N-CA-C 114.226 1.195 . . . . 0.0 114.226 -173.788 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 80.34 11.34 84.35 Favored Glycine 0 C--N 1.309 -0.922 0 C-N-CA 120.558 -0.83 . . . . 0.0 114.703 170.499 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . 0.454 ' HB2' HG12 ' A' ' 21' ' ' VAL . 52.0 t80 70.23 -49.3 0.64 Allowed 'General case' 0 N--CA 1.475 0.782 0 C-N-CA 125.112 1.365 . . . . 0.0 114.041 177.908 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 18.7 p -67.91 -12.92 61.65 Favored 'General case' 0 C--N 1.315 -0.9 0 N-CA-C 113.479 0.918 . . . . 0.0 113.479 -174.944 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 78.4 t60 -64.0 125.1 23.34 Favored 'General case' 0 N--CA 1.444 -0.752 0 N-CA-C 107.468 -1.308 . . . . 0.0 107.468 173.847 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 21.1 t-80 -55.74 -32.36 63.32 Favored 'General case' 0 N--CA 1.471 0.611 0 N-CA-C 113.825 1.046 . . . . 0.0 113.825 -170.697 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 33.8 mmtp -64.6 -33.22 75.41 Favored 'General case' 0 C--N 1.324 -0.53 0 C-N-CA 119.717 -0.793 . . . . 0.0 111.966 176.816 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 47.2 t -68.23 -38.86 80.23 Favored 'Isoleucine or valine' 0 C--O 1.24 0.593 0 N-CA-C 108.453 -0.943 . . . . 0.0 108.453 178.559 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 63.3 mt -63.39 -37.73 80.31 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.783 0 CA-C-N 115.286 -0.87 . . . . 0.0 109.158 176.069 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 23.0 t -64.49 -45.21 88.29 Favored 'General case' 0 N--CA 1.444 -0.762 0 CA-C-N 115.895 -0.593 . . . . 0.0 109.745 177.811 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 16.4 m-85 -64.12 -33.41 75.71 Favored 'General case' 0 N--CA 1.464 0.241 0 CA-C-O 120.814 0.34 . . . . 0.0 110.446 179.643 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 39.9 m -64.53 -41.58 96.28 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.144 177.807 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . 0.536 ' O ' ' HG3' ' A' ' 40' ' ' ARG . 48.6 mt-30 -71.83 -31.14 66.22 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.284 179.205 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 42.9 tt0 -65.91 -44.0 86.47 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 115.729 -0.669 . . . . 0.0 109.84 177.341 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 6.7 tt -63.79 -43.91 94.92 Favored 'General case' 0 CA--C 1.517 -0.304 0 N-CA-C 108.489 -0.93 . . . . 0.0 108.489 177.757 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 21.7 t70 -55.68 -36.45 67.14 Favored 'General case' 0 C--O 1.216 -0.681 0 CA-C-N 115.566 -0.743 . . . . 0.0 111.632 178.87 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . 0.536 ' HG3' ' O ' ' A' ' 36' ' ' GLN . 99.0 mtt180 -63.1 -45.45 91.98 Favored 'General case' 0 N--CA 1.472 0.646 0 CA-C-O 120.848 0.356 . . . . 0.0 110.385 178.33 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 89.4 mt -69.08 -41.83 77.02 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.657 -0.701 . . . . 0.0 109.967 179.928 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 47.8 tp -61.41 -40.93 96.21 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-N 115.371 -0.831 . . . . 0.0 110.567 178.698 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 15.9 t-20 -63.73 -25.42 68.19 Favored 'General case' 0 C--O 1.215 -0.73 0 CA-C-N 115.305 -0.861 . . . . 0.0 110.409 -179.251 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 96.6 mt -69.15 -35.46 76.37 Favored 'General case' 0 N--CA 1.443 -0.787 0 CA-C-N 116.466 -0.334 . . . . 0.0 110.543 177.044 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 79.9 mt -67.64 -37.24 82.16 Favored 'General case' 0 N--CA 1.471 0.603 0 N-CA-C 109.484 -0.561 . . . . 0.0 109.484 175.039 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 66.2 mt -63.87 -40.95 90.91 Favored 'Isoleucine or valine' 0 C--O 1.242 0.663 0 CA-C-N 115.211 -0.904 . . . . 0.0 109.107 176.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 5.6 tp10 . . . . . 0 C--O 1.217 -0.633 0 CA-C-N 114.906 -1.043 . . . . 0.0 110.085 177.768 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 28.1 m . . . . . 0 C--O 1.219 -0.508 0 CA-C-O 120.866 0.365 . . . . 0.0 110.454 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 8.7 t -65.48 -32.89 74.75 Favored 'General case' 0 CA--C 1.551 0.995 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.992 175.933 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . 0.506 ' O ' ' HG3' ' A' ' 9' ' ' ARG . 31.9 mmtp -76.04 -37.29 58.52 Favored 'General case' 0 CA--C 1.5 -0.971 0 N-CA-C 109.668 -0.493 . . . . 0.0 109.668 178.056 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 23.4 tp -65.7 -38.97 90.69 Favored 'General case' 0 C--N 1.31 -1.128 0 N-CA-C 108.943 -0.762 . . . . 0.0 108.943 177.145 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' ASN . . . . . 0.417 ' O ' ' HB ' ' A' ' 10' ' ' ILE . 26.4 t-20 -60.94 -39.43 89.45 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.452 -0.795 . . . . 0.0 110.071 174.405 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 13.7 t70 -65.9 -36.31 83.05 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-N 115.623 -0.717 . . . . 0.0 110.384 179.09 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . 0.506 ' HG3' ' O ' ' A' ' 5' ' ' LYS . 97.1 mtt180 -65.84 -32.83 74.58 Favored 'General case' 0 C--O 1.243 0.72 0 CA-C-N 115.962 -0.563 . . . . 0.0 109.696 176.765 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . 0.55 ' O ' ' HG3' ' A' ' 14' ' ' LYS . 83.0 mt -64.7 -39.36 85.37 Favored 'Isoleucine or valine' 0 C--O 1.21 -1.026 0 CA-C-N 115.494 -0.775 . . . . 0.0 109.541 174.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . 0.528 ' O ' ' HG3' ' A' ' 15' ' ' LYS . 39.7 tt0 -55.09 -49.3 72.03 Favored 'General case' 0 N--CA 1.472 0.645 0 CA-C-O 120.917 0.389 . . . . 0.0 110.418 179.256 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -66.09 -27.17 67.86 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.806 -0.633 . . . . 0.0 111.051 -179.782 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 55.5 tptt -75.87 -39.02 57.3 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-N 115.741 -0.663 . . . . 0.0 109.572 179.142 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.55 ' HG3' ' O ' ' A' ' 10' ' ' ILE . 50.3 mtpt -62.26 -47.57 83.76 Favored 'General case' 0 C--O 1.218 -0.556 0 CA-C-N 115.592 -0.731 . . . . 0.0 109.399 178.082 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . 0.528 ' HG3' ' O ' ' A' ' 11' ' ' GLU . 29.2 mtpp -59.05 -43.75 91.73 Favored 'General case' 0 N--CA 1.469 0.51 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.147 179.887 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 30.8 tt0 -58.76 -48.92 79.55 Favored 'General case' 0 C--O 1.246 0.902 0 CA-C-N 114.792 -1.095 . . . . 0.0 110.31 179.315 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.439 ' O ' HG21 ' A' ' 21' ' ' VAL . 34.3 tp -67.27 -48.69 66.94 Favored 'General case' 0 N--CA 1.445 -0.697 0 CA-C-N 115.021 -0.99 . . . . 0.0 110.735 -177.625 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . 0.467 ' O ' ' HG2' ' A' ' 22' ' ' GLU . 76.7 mt -53.89 -45.59 63.29 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.455 0 C-N-CA 122.826 0.45 . . . . 0.0 110.701 179.335 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 87.8 t80 -54.32 -45.49 72.62 Favored 'General case' 0 C--O 1.245 0.827 0 C-N-CA 123.41 0.684 . . . . 0.0 111.142 178.923 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 92.1 mt -71.76 -39.59 69.9 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.176 -178.702 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . 0.515 ' HA ' ' O ' ' A' ' 25' ' ' GLY . 67.6 t -64.77 -39.96 87.42 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.64 0 CA-C-N 116.465 -0.334 . . . . 0.0 110.933 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . 0.467 ' HG2' ' O ' ' A' ' 18' ' ' ILE . 36.5 mm-40 -64.0 -44.01 93.94 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-O 120.972 0.415 . . . . 0.0 110.886 178.458 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . 0.434 ' HZ2' ' HB3' ' A' ' 23' ' ' LYS . 8.4 mtpm? -82.49 -47.91 11.66 Favored 'General case' 0 C--N 1.321 -0.645 0 N-CA-C 114.231 1.197 . . . . 0.0 114.231 -175.478 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 73.3 m-85 -103.72 -39.93 6.48 Favored 'General case' 0 C--N 1.307 -1.248 0 CA-C-O 121.216 0.531 . . . . 0.0 111.247 -175.849 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . 0.515 ' O ' ' HA ' ' A' ' 21' ' ' VAL . . . 121.58 -157.61 16.4 Favored Glycine 0 C--N 1.29 -1.98 0 N-CA-C 109.248 -1.541 . . . . 0.0 109.248 -175.045 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 43.3 p90 -135.36 17.26 3.4 Favored 'General case' 0 C--N 1.303 -1.454 0 CA-C-N 117.692 0.746 . . . . 0.0 111.303 -177.406 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 4.9 m -88.53 -25.54 22.48 Favored 'General case' 0 C--N 1.294 -1.846 0 N-CA-C 112.23 0.456 . . . . 0.0 112.23 -174.65 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 37.3 p-80 -82.65 160.36 22.47 Favored 'General case' 0 C--O 1.244 0.813 0 C-N-CA 120.096 -0.642 . . . . 0.0 111.916 -176.555 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 73.8 m-70 -60.87 -32.26 71.7 Favored 'General case' 0 N--CA 1.477 0.881 0 N-CA-C 115.034 1.494 . . . . 0.0 115.034 -171.814 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -62.52 -47.6 83.23 Favored 'General case' 0 C--N 1.321 -0.649 0 C-N-CA 120.199 -0.6 . . . . 0.0 111.377 -179.878 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 85.1 t -61.75 -42.31 93.9 Favored 'Isoleucine or valine' 0 C--O 1.239 0.525 0 N-CA-C 110.105 -0.331 . . . . 0.0 110.105 178.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 68.8 mt -57.63 -48.86 82.34 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.473 0 CA-C-N 115.839 -0.619 . . . . 0.0 109.612 177.878 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 34.9 m -61.09 -41.52 96.81 Favored 'General case' 0 N--CA 1.446 -0.655 0 CA-C-N 115.793 -0.639 . . . . 0.0 111.44 179.603 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 25.9 m-85 -68.44 -33.57 74.43 Favored 'General case' 0 N--CA 1.453 -0.308 0 N-CA-C 111.801 0.297 . . . . 0.0 111.801 179.419 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 22.7 t -69.48 -35.71 75.84 Favored 'General case' 0 C--N 1.322 -0.617 0 N-CA-C 109.677 -0.49 . . . . 0.0 109.677 178.566 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 93.9 mt-30 -68.99 -35.19 76.42 Favored 'General case' 0 N--CA 1.468 0.471 0 CA-C-O 121.462 0.648 . . . . 0.0 109.646 175.758 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 30.1 tt0 -71.09 -41.82 70.13 Favored 'General case' 0 N--CA 1.44 -0.935 0 CA-C-N 115.404 -0.817 . . . . 0.0 110.488 179.813 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 6.4 tt -61.98 -42.76 99.49 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 107.977 -1.12 . . . . 0.0 107.977 176.796 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 17.1 t70 -56.38 -41.4 76.15 Favored 'General case' 0 C--O 1.22 -0.499 0 CA-C-N 115.044 -0.98 . . . . 0.0 111.318 176.102 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . 0.406 ' O ' ' HG ' ' A' ' 44' ' ' LEU . 34.4 ttp180 -65.07 -42.65 93.98 Favored 'General case' 0 C--N 1.318 -0.791 0 CA-C-N 115.843 -0.617 . . . . 0.0 111.063 -179.215 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 10.9 mp -66.26 -41.4 89.96 Favored 'General case' 0 N--CA 1.47 0.552 0 CA-C-O 121.099 0.476 . . . . 0.0 110.527 175.941 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 6.6 tt -63.73 -35.88 82.04 Favored 'General case' 0 C--N 1.322 -0.629 0 N-CA-C 109.291 -0.633 . . . . 0.0 109.291 179.567 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 18.0 t-20 -65.6 -27.23 68.25 Favored 'General case' 0 C--N 1.317 -0.821 0 CA-C-N 115.748 -0.66 . . . . 0.0 110.988 -179.588 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.495 ' O ' ' HB3' ' A' ' 47' ' ' GLU . 87.3 mt -68.27 -31.59 71.16 Favored 'General case' 0 C--N 1.317 -0.821 0 CA-C-O 121.236 0.541 . . . . 0.0 109.885 177.265 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 9.6 mp -73.91 -33.65 64.06 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.627 174.599 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 63.3 mt -59.56 -37.7 71.72 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.59 0 CA-C-O 121.808 0.813 . . . . 0.0 109.284 176.072 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . 0.495 ' HB3' ' O ' ' A' ' 44' ' ' LEU . 26.5 tt0 . . . . . 0 CA--C 1.555 1.169 0 C-N-CA 125.114 1.366 . . . . 0.0 111.352 176.948 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 30.6 m . . . . . 0 C--O 1.221 -0.414 0 N-CA-C 111.919 0.34 . . . . 0.0 111.919 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 9.6 t -67.95 -35.67 78.78 Favored 'General case' 0 CA--C 1.549 0.917 0 C-N-CA 120.301 -0.56 . . . . 0.0 109.727 176.459 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . 0.442 ' O ' ' HG3' ' A' ' 9' ' ' ARG . 13.4 mptt -73.64 -30.94 63.25 Favored 'General case' 0 N--CA 1.449 -0.515 0 O-C-N 122.187 -0.321 . . . . 0.0 110.428 175.699 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.524 ' O ' HG13 ' A' ' 10' ' ' ILE . 48.1 tp -61.84 -49.57 75.75 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 108.323 -0.992 . . . . 0.0 108.323 174.114 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 41.4 t30 -58.2 -42.17 85.58 Favored 'General case' 0 N--CA 1.474 0.757 0 C-N-CA 123.66 0.784 . . . . 0.0 110.826 177.908 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 18.4 t70 -58.62 -43.2 89.56 Favored 'General case' 0 N--CA 1.47 0.562 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.265 178.399 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . 0.442 ' HG3' ' O ' ' A' ' 5' ' ' LYS . 82.2 mtp180 -64.03 -42.26 97.14 Favored 'General case' 0 C--O 1.218 -0.572 0 CA-C-N 115.671 -0.695 . . . . 0.0 110.51 177.236 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . 0.524 HG13 ' O ' ' A' ' 6' ' ' LEU . 80.5 mt -62.73 -41.71 93.4 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.611 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.53 -179.57 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 33.0 tt0 -65.63 -40.04 92.14 Favored 'General case' 0 C--N 1.317 -0.826 0 CA-C-O 121.441 0.639 . . . . 0.0 109.895 179.628 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -68.15 -25.0 65.05 Favored 'General case' 0 C--N 1.315 -0.899 0 CA-C-N 115.489 -0.778 . . . . 0.0 110.449 177.234 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 54.6 tptt -77.3 -33.79 55.59 Favored 'General case' 0 N--CA 1.448 -0.572 0 N-CA-C 108.831 -0.803 . . . . 0.0 108.831 -179.491 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.523 ' O ' HG13 ' A' ' 18' ' ' ILE . 95.7 mttt -63.32 -48.6 77.37 Favored 'General case' 0 CA--C 1.507 -0.68 0 CA-C-N 115.467 -0.788 . . . . 0.0 109.072 177.199 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 34.5 mmtp -64.99 -30.75 71.76 Favored 'General case' 0 N--CA 1.467 0.392 0 CA-C-N 115.33 -0.85 . . . . 0.0 110.432 -179.714 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 33.2 tt0 -69.78 -45.23 68.46 Favored 'General case' 0 N--CA 1.44 -0.973 0 N-CA-C 107.937 -1.134 . . . . 0.0 107.937 -178.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 5.1 mt -64.15 -36.48 84.2 Favored 'General case' 0 C--O 1.211 -0.953 0 CA-C-N 115.168 -0.924 . . . . 0.0 112.164 177.256 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . 0.523 HG13 ' O ' ' A' ' 14' ' ' LYS . 77.2 mt -62.01 -48.56 87.98 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.637 0 N-CA-C 109.1 -0.704 . . . . 0.0 109.1 176.768 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . 0.513 ' O ' ' HG2' ' A' ' 23' ' ' LYS . 92.3 t80 -63.43 -52.19 62.55 Favored 'General case' 0 N--CA 1.437 -1.088 0 CA-C-N 115.436 -0.802 . . . . 0.0 110.972 179.375 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 89.5 mt -65.21 -35.1 80.02 Favored 'General case' 0 C--N 1.319 -0.736 0 N-CA-C 113.224 0.824 . . . . 0.0 113.224 -176.65 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 8.4 p -66.43 -39.56 84.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 C-N-CA 120.359 -0.536 . . . . 0.0 109.836 -179.187 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . 0.426 ' HG3' ' O ' ' A' ' 18' ' ' ILE . 43.9 mt-10 -68.92 -37.35 78.87 Favored 'General case' 0 C--N 1.307 -1.278 0 CA-C-N 115.855 -0.611 . . . . 0.0 112.073 177.207 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . 0.513 ' HG2' ' O ' ' A' ' 19' ' ' TYR . 32.3 mmmt -78.77 -39.11 36.92 Favored 'General case' 0 N--CA 1.47 0.525 0 N-CA-C 112.637 0.606 . . . . 0.0 112.637 -176.722 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 24.4 m-85 -86.08 -42.58 13.8 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-O 120.922 0.391 . . . . 0.0 111.327 -179.674 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 134.47 146.03 5.34 Favored Glycine 0 N--CA 1.428 -1.847 0 N-CA-C 110.336 -1.106 . . . . 0.0 110.336 -178.211 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 97.2 m-85 -72.03 128.07 34.56 Favored 'General case' 0 C--N 1.305 -1.351 0 N-CA-C 109.154 -0.684 . . . . 0.0 109.154 -179.739 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 19.1 m 65.53 83.51 0.17 Allowed 'General case' 0 C--O 1.245 0.822 0 C-N-CA 124.217 1.007 . . . . 0.0 109.174 -172.261 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' HIS . . . . . 0.414 ' O ' HG21 ' A' ' 31' ' ' VAL . 54.5 t60 -134.27 142.92 47.48 Favored 'General case' 0 C--N 1.302 -1.46 0 N-CA-C 106.894 -1.521 . . . . 0.0 106.894 -177.621 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 24.4 p-80 -54.65 -40.26 68.84 Favored 'General case' 0 C--N 1.318 -0.763 0 N-CA-C 113.55 0.944 . . . . 0.0 113.55 -174.511 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 63.3 mttp -70.41 -40.17 74.03 Favored 'General case' 0 CA--C 1.516 -0.342 0 N-CA-C 112.092 0.404 . . . . 0.0 112.092 -179.106 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.414 HG21 ' O ' ' A' ' 28' ' ' HIS . 21.2 m -67.98 -32.83 57.94 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.236 0 C-N-CA 120.215 -0.594 . . . . 0.0 111.081 -177.363 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 77.5 mt -62.31 -42.33 95.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 CA-C-N 115.925 -0.58 . . . . 0.0 109.442 175.936 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 18.0 m -64.71 -41.05 96.28 Favored 'General case' 0 CA--C 1.541 0.628 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.498 177.863 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 18.1 m-85 -66.68 -36.8 83.38 Favored 'General case' 0 C--O 1.24 0.575 0 CA-C-N 116.431 -0.35 . . . . 0.0 110.279 179.433 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 34.3 t -64.1 -43.11 96.37 Favored 'General case' 0 N--CA 1.443 -0.78 0 CA-C-N 115.693 -0.685 . . . . 0.0 110.55 179.47 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 79.6 mt-30 -63.71 -34.05 77.0 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 116.619 -0.264 . . . . 0.0 111.476 178.915 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 7.7 mm-40 -68.91 -47.6 65.39 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.911 175.474 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 6.2 tt -58.22 -42.62 86.68 Favored 'General case' 0 N--CA 1.466 0.365 0 N-CA-C 108.792 -0.818 . . . . 0.0 108.792 178.625 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 24.5 t70 -62.53 -40.77 97.84 Favored 'General case' 0 C--N 1.317 -0.84 0 CA-C-N 115.332 -0.849 . . . . 0.0 110.912 -179.362 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 63.7 ttp85 -68.75 -43.05 76.63 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.696 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.437 ' O ' ' HB2' ' A' ' 44' ' ' LEU . 10.7 mp -67.86 -36.21 79.89 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 120.843 0.354 . . . . 0.0 110.843 177.367 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 53.2 tp -61.05 -41.67 97.04 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 121.615 0.721 . . . . 0.0 109.221 175.473 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 3.7 t-20 -63.45 -33.8 76.35 Favored 'General case' 0 N--CA 1.438 -1.032 0 CA-C-N 114.849 -1.068 . . . . 0.0 110.337 179.699 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.437 ' HB2' ' O ' ' A' ' 41' ' ' LEU . 72.7 mt -56.39 -41.97 77.15 Favored 'General case' 0 N--CA 1.47 0.561 0 C-N-CA 123.032 0.533 . . . . 0.0 111.7 177.601 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 90.5 mt -60.82 -38.64 86.12 Favored 'General case' 0 C--O 1.241 0.621 0 CA-C-O 121.091 0.472 . . . . 0.0 110.327 179.037 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 36.8 mt -73.74 -50.96 26.56 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.053 0 CA-C-N 115.346 -0.843 . . . . 0.0 109.709 179.604 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 36.3 tt0 . . . . . 0 C--N 1.32 -0.684 0 C-N-CA 124.455 1.102 . . . . 0.0 111.692 -176.353 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 26.8 m . . . . . 0 N--CA 1.474 0.771 0 CA-C-O 121.142 0.496 . . . . 0.0 111.963 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 11.9 t -65.69 -26.51 67.81 Favored 'General case' 0 N--CA 1.442 -0.863 0 N-CA-C 109.652 -0.499 . . . . 0.0 109.652 177.471 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . 0.412 ' O ' ' HG3' ' A' ' 9' ' ' ARG . 55.3 mttm -72.76 -35.97 67.59 Favored 'General case' 0 CA--C 1.512 -0.51 0 C-N-CA 122.693 0.397 . . . . 0.0 110.46 179.415 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 40.0 tp -67.27 -44.98 77.99 Favored 'General case' 0 C--N 1.315 -0.92 0 N-CA-C 109.057 -0.72 . . . . 0.0 109.057 178.031 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 63.1 t30 -66.41 -31.52 72.32 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.675 -0.693 . . . . 0.0 110.084 177.853 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 29.5 t70 -62.02 -40.22 94.96 Favored 'General case' 0 C--O 1.239 0.548 0 CA-C-N 115.749 -0.659 . . . . 0.0 110.313 178.611 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . 0.437 ' O ' ' HG2' ' A' ' 13' ' ' LYS . 21.5 mtp180 -62.64 -41.92 99.31 Favored 'General case' 0 CA--C 1.516 -0.329 0 CA-C-N 115.387 -0.824 . . . . 0.0 109.654 177.152 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 68.7 mt -58.88 -53.36 48.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 N-CA-C 109.149 -0.685 . . . . 0.0 109.149 177.397 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 23.6 mm-40 -54.74 -42.02 71.1 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.726 -0.67 . . . . 0.0 112.201 -179.808 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -71.74 -31.71 66.96 Favored 'General case' 0 C--N 1.317 -0.833 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.407 -179.938 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . 0.437 ' HG2' ' O ' ' A' ' 9' ' ' ARG . 28.5 mmtp -77.27 -32.63 55.68 Favored 'General case' 0 C--O 1.217 -0.641 0 C-N-CA 119.771 -0.772 . . . . 0.0 110.934 178.184 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.456 ' O ' HG13 ' A' ' 18' ' ' ILE . 58.0 mtpt -59.53 -46.39 89.01 Favored 'General case' 0 C--N 1.325 -0.466 0 C-N-CA 122.821 0.448 . . . . 0.0 110.653 176.773 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . 0.41 ' C ' ' HD3' ' A' ' 15' ' ' LYS . 0.0 OUTLIER -69.64 -26.94 64.65 Favored 'General case' 0 C--O 1.247 0.973 0 CA-C-O 121.36 0.6 . . . . 0.0 111.135 -179.584 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . 0.459 ' O ' ' HG ' ' A' ' 20' ' ' LEU . 35.4 tt0 -76.26 -44.46 37.15 Favored 'General case' 0 CA--C 1.501 -0.912 0 N-CA-C 107.949 -1.13 . . . . 0.0 107.949 -176.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.465 ' O ' HG21 ' A' ' 21' ' ' VAL . 20.3 mt -57.61 -45.29 85.52 Favored 'General case' 0 N--CA 1.431 -1.41 0 CA-C-N 114.915 -1.038 . . . . 0.0 112.583 177.292 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . 0.456 HG13 ' O ' ' A' ' 14' ' ' LYS . 78.1 mt -56.47 -45.24 81.89 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.623 0 N-CA-C 109.892 -0.41 . . . . 0.0 109.892 178.592 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 72.8 t80 -64.73 -47.63 77.57 Favored 'General case' 0 C--O 1.246 0.885 0 CA-C-N 115.449 -0.796 . . . . 0.0 111.16 178.135 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.459 ' HG ' ' O ' ' A' ' 16' ' ' GLU . 92.2 mt -64.55 -41.52 96.28 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.928 -0.578 . . . . 0.0 112.181 -177.757 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . 0.465 HG21 ' O ' ' A' ' 17' ' ' LEU . 69.6 t -57.19 -42.36 79.69 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.359 0 CA-C-O 121.034 0.445 . . . . 0.0 110.189 176.721 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 23.8 mm-40 -68.78 -40.7 79.54 Favored 'General case' 0 C--N 1.308 -1.236 0 N-CA-C 113.398 0.888 . . . . 0.0 113.398 179.715 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 38.9 ttpt -79.11 -45.17 20.58 Favored 'General case' 0 N--CA 1.417 -2.112 0 N-CA-C 112.495 0.554 . . . . 0.0 112.495 -177.942 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 96.7 m-85 -93.96 -38.39 11.2 Favored 'General case' 0 C--N 1.317 -0.815 0 N-CA-C 113.116 0.784 . . . . 0.0 113.116 -175.891 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 118.09 169.12 14.6 Favored Glycine 0 C--N 1.304 -1.242 0 N-CA-C 111.23 -0.748 . . . . 0.0 111.23 -177.383 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 95.8 m-85 -77.72 -34.67 52.57 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-O 121.005 0.431 . . . . 0.0 110.855 -178.637 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 27.7 p -84.66 -5.49 59.31 Favored 'General case' 0 C--N 1.311 -1.103 0 CA-C-N 115.697 -0.683 . . . . 0.0 112.621 -173.314 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 21.8 t60 -75.32 124.26 26.79 Favored 'General case' 0 N--CA 1.435 -1.195 0 N-CA-C 109.004 -0.739 . . . . 0.0 109.004 -175.517 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 17.0 t60 -58.1 -33.56 69.24 Favored 'General case' 0 N--CA 1.472 0.668 0 C-N-CA 123.522 0.729 . . . . 0.0 112.831 -171.296 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 47.3 mmtm -58.23 -45.34 87.88 Favored 'General case' 0 N--CA 1.469 0.517 0 C-N-CA 120.846 -0.341 . . . . 0.0 110.3 177.615 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 94.5 t -61.79 -41.55 91.06 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.642 0 CA-C-N 115.719 -0.673 . . . . 0.0 109.862 -178.949 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . 0.425 ' O ' ' HG2' ' A' ' 36' ' ' GLN . 38.3 mm -61.21 -50.58 79.91 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.769 0 CA-C-N 115.246 -0.888 . . . . 0.0 108.776 177.613 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 38.1 t -53.49 -49.86 66.59 Favored 'General case' 0 C--N 1.316 -0.882 0 CA-C-N 114.955 -1.02 . . . . 0.0 111.738 178.615 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 36.9 m-85 -64.13 -35.09 79.63 Favored 'General case' 0 C--O 1.241 0.625 0 CA-C-O 121.281 0.563 . . . . 0.0 110.424 179.621 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 29.8 t -69.3 -31.38 69.83 Favored 'General case' 0 CA--C 1.551 1.012 0 CA-C-N 115.417 -0.81 . . . . 0.0 110.885 179.122 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . 0.425 ' HG2' ' O ' ' A' ' 32' ' ' ILE . 30.8 mm-40 -63.86 -41.0 97.88 Favored 'General case' 0 C--O 1.242 0.686 0 N-CA-C 109.789 -0.449 . . . . 0.0 109.789 176.215 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . 0.463 ' O ' ' HG ' ' A' ' 41' ' ' LEU . 28.5 tt0 -66.18 -42.72 88.5 Favored 'General case' 0 C--O 1.222 -0.381 0 CA-C-N 115.443 -0.799 . . . . 0.0 109.486 178.357 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -55.54 -52.22 64.42 Favored 'General case' 0 C--O 1.239 0.536 0 CA-C-N 115.578 -0.737 . . . . 0.0 109.876 -179.773 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 22.6 t70 -60.53 -36.04 77.45 Favored 'General case' 0 C--N 1.318 -0.793 0 CA-C-N 115.47 -0.787 . . . . 0.0 111.179 179.231 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . 0.405 ' O ' ' HG ' ' A' ' 44' ' ' LEU . 42.6 ttm180 -67.25 -44.59 79.02 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.422 179.358 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.463 ' HG ' ' O ' ' A' ' 37' ' ' GLU . 93.5 mt -60.63 -43.11 97.89 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.87 -0.604 . . . . 0.0 110.426 178.76 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 51.3 tp -62.92 -42.07 99.67 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.75 -0.659 . . . . 0.0 109.88 177.555 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 21.8 t-20 -63.43 -30.15 71.32 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 115.246 -0.888 . . . . 0.0 111.055 -177.91 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.405 ' HG ' ' O ' ' A' ' 40' ' ' ARG . 96.1 mt -60.65 -46.99 88.24 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.889 177.121 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 98.6 mt -61.8 -43.83 98.06 Favored 'General case' 0 CA--C 1.514 -0.433 0 CA-C-O 121.311 0.576 . . . . 0.0 109.576 179.134 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 74.5 mt -62.1 -39.26 83.21 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.855 0 CA-C-N 115.004 -0.998 . . . . 0.0 110.48 179.839 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 32.3 tt0 . . . . . 0 C--N 1.322 -0.63 0 C-N-CA 122.579 0.352 . . . . 0.0 110.627 179.703 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 35.8 m . . . . . 0 C--O 1.236 0.389 0 CA-C-O 121.203 0.525 . . . . 0.0 111.21 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 8.5 t -65.4 -28.49 69.29 Favored 'General case' 0 CA--C 1.549 0.938 0 CA-C-N 115.943 -0.571 . . . . 0.0 111.882 -176.794 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . 0.458 ' O ' ' HG3' ' A' ' 9' ' ' ARG . 0.0 OUTLIER -72.82 -28.69 62.71 Favored 'General case' 0 C--O 1.22 -0.452 0 CA-C-O 121.741 0.781 . . . . 0.0 110.101 179.958 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.412 ' O ' HG13 ' A' ' 10' ' ' ILE . 36.6 tp -72.71 -42.0 64.64 Favored 'General case' 0 N--CA 1.442 -0.875 0 CA-C-N 115.168 -0.924 . . . . 0.0 108.602 178.438 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 8.5 t30 -66.67 -31.72 72.57 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.546 -0.752 . . . . 0.0 110.082 179.533 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 14.6 t70 -66.82 -41.1 88.03 Favored 'General case' 0 N--CA 1.473 0.705 0 CA-C-N 115.569 -0.742 . . . . 0.0 110.07 175.697 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . 0.458 ' HG3' ' O ' ' A' ' 5' ' ' LYS . 77.1 mtp180 -67.16 -35.73 80.3 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.351 178.044 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . 0.412 HG13 ' O ' ' A' ' 6' ' ' LEU . 70.1 mt -58.29 -40.91 79.67 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.751 0 N-CA-C 109.475 -0.565 . . . . 0.0 109.475 174.54 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . 0.465 ' HA ' ' HD3' ' A' ' 14' ' ' LYS . 5.6 tp10 -58.77 -42.55 89.23 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.316 -178.379 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -69.05 -34.01 74.51 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.894 179.549 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 32.6 mmmt -75.37 -35.57 61.07 Favored 'General case' 0 C--N 1.318 -0.803 0 CA-C-N 115.994 -0.548 . . . . 0.0 111.231 179.914 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.465 ' HD3' ' HA ' ' A' ' 11' ' ' GLU . 50.1 mtpt -60.14 -53.28 59.64 Favored 'General case' 0 C--N 1.327 -0.376 0 C-N-CA 122.946 0.498 . . . . 0.0 110.197 177.012 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 57.0 mtpt -62.17 -39.44 92.65 Favored 'General case' 0 C--O 1.243 0.713 0 CA-C-N 115.861 -0.609 . . . . 0.0 111.014 -178.171 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . 0.433 ' O ' ' HG ' ' A' ' 20' ' ' LEU . 44.0 tt0 -61.71 -49.32 76.94 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.417 -0.81 . . . . 0.0 110.043 177.942 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.498 ' O ' HG21 ' A' ' 21' ' ' VAL . 56.9 tp -62.01 -45.96 91.31 Favored 'General case' 0 N--CA 1.443 -0.817 0 CA-C-N 115.779 -0.646 . . . . 0.0 110.7 -179.367 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . 0.457 HG13 ' O ' ' A' ' 14' ' ' LYS . 88.3 mt -54.1 -45.76 66.02 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.864 0 O-C-N 123.293 0.371 . . . . 0.0 110.533 178.723 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 86.9 t80 -60.47 -43.37 96.99 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.209 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.433 ' HG ' ' O ' ' A' ' 16' ' ' GLU . 68.0 mt -72.17 -34.54 68.54 Favored 'General case' 0 C--N 1.31 -1.126 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.815 -178.343 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . 0.498 HG21 ' O ' ' A' ' 17' ' ' LEU . 79.3 t -66.39 -36.99 78.68 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.832 0 N-CA-C 109.53 -0.544 . . . . 0.0 109.53 176.717 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 11.0 mm-40 -68.8 -49.32 59.51 Favored 'General case' 0 C--N 1.317 -0.828 0 N-CA-C 112.741 0.645 . . . . 0.0 112.741 175.814 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 75.2 mmtt -82.0 -48.53 11.33 Favored 'General case' 0 C--N 1.319 -0.744 0 N-CA-C 113.328 0.862 . . . . 0.0 113.328 -174.227 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 24.7 m-85 -87.96 -45.82 9.9 Favored 'General case' 0 C--N 1.31 -1.124 0 CA-C-O 121.558 0.694 . . . . 0.0 110.13 -176.884 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 109.44 168.52 20.3 Favored Glycine 0 N--CA 1.434 -1.482 0 CA-C-N 115.327 -0.851 . . . . 0.0 111.4 -179.919 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 37.3 p90 -85.33 166.43 16.46 Favored 'General case' 0 C--N 1.302 -1.459 0 O-C-N 122.93 -0.159 . . . . 0.0 110.715 -179.598 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 5.1 m 64.64 25.84 13.13 Favored 'General case' 0 CA--C 1.565 1.552 0 CA-C-O 122.577 1.18 . . . . 0.0 110.803 -179.654 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 61.2 t60 -105.76 137.17 44.08 Favored 'General case' 0 C--N 1.316 -0.884 0 N-CA-C 107.0 -1.481 . . . . 0.0 107.0 176.045 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 58.5 m80 -50.35 -45.26 54.94 Favored 'General case' 0 N--CA 1.491 1.606 0 N-CA-C 114.292 1.219 . . . . 0.0 114.292 -173.635 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 67.6 mttm -61.41 -52.39 64.76 Favored 'General case' 0 C--N 1.33 -0.266 0 N-CA-C 109.503 -0.554 . . . . 0.0 109.503 178.36 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 92.1 t -56.86 -40.1 69.24 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.637 0 CA-C-N 115.511 -0.768 . . . . 0.0 111.448 -178.457 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 79.3 mt -62.04 -42.49 95.15 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.628 0 CA-C-O 120.953 0.406 . . . . 0.0 110.212 177.391 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 27.7 m -63.33 -42.04 98.94 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.969 179.135 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 89.8 m-85 -65.97 -37.54 86.24 Favored 'General case' 0 C--O 1.223 -0.326 0 CA-C-O 120.691 0.281 . . . . 0.0 110.872 177.079 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 43.4 m -62.93 -38.44 91.01 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-O 121.152 0.501 . . . . 0.0 110.015 178.259 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 49.2 mt-30 -63.92 -36.28 83.43 Favored 'General case' 0 N--CA 1.454 -0.249 0 CA-C-N 115.693 -0.685 . . . . 0.0 110.33 175.377 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 41.0 mt-10 -62.65 -50.59 70.6 Favored 'General case' 0 C--O 1.219 -0.521 0 N-CA-C 110.399 -0.223 . . . . 0.0 110.399 176.615 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -57.39 -48.3 79.42 Favored 'General case' 0 CA--C 1.514 -0.41 0 N-CA-C 112.563 0.579 . . . . 0.0 112.563 -179.816 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 25.8 t70 -59.52 -46.07 89.91 Favored 'General case' 0 C--O 1.242 0.667 0 O-C-N 123.511 0.507 . . . . 0.0 111.556 179.91 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . 0.53 ' O ' ' HG ' ' A' ' 44' ' ' LEU . 90.6 mtm180 -66.82 -46.16 76.02 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-N 115.977 -0.556 . . . . 0.0 111.903 -179.226 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 10.9 mp -63.6 -41.38 98.34 Favored 'General case' 0 C--O 1.219 -0.524 0 N-CA-C 111.695 0.257 . . . . 0.0 111.695 179.159 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 66.5 tp -58.71 -45.99 88.33 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 121.525 0.678 . . . . 0.0 110.083 176.709 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 33.2 m-80 -70.73 -16.95 62.82 Favored 'General case' 0 C--N 1.317 -0.812 0 N-CA-C 113.198 0.814 . . . . 0.0 113.198 -179.602 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.53 ' HG ' ' O ' ' A' ' 40' ' ' ARG . 69.1 mt -65.44 -32.19 73.69 Favored 'General case' 0 C--N 1.322 -0.623 0 N-CA-C 111.562 0.208 . . . . 0.0 111.562 176.595 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 7.0 mp -68.61 -37.04 79.46 Favored 'General case' 0 C--O 1.242 0.707 0 CA-C-O 121.478 0.656 . . . . 0.0 109.665 177.074 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 2.0 mp -71.15 -38.07 69.34 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.815 0 CA-C-N 114.831 -1.077 . . . . 0.0 109.476 178.268 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . 0.478 ' HB3' ' O ' ' A' ' 44' ' ' LEU . 20.5 tp10 . . . . . 0 C--N 1.325 -0.482 0 C-N-CA 125.569 1.548 . . . . 0.0 111.58 -179.111 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 27.3 m . . . . . 0 N--CA 1.473 0.69 0 CA-C-O 121.405 0.621 . . . . 0.0 112.59 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 13.8 t -60.58 -26.75 67.19 Favored 'General case' 0 CA--C 1.559 1.325 0 CA-C-N 115.855 -0.611 . . . . 0.0 112.205 -176.64 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 22.7 pttp -64.57 -37.3 87.09 Favored 'General case' 0 N--CA 1.466 0.363 0 CA-C-O 120.619 0.247 . . . . 0.0 111.274 177.629 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.498 ' O ' HG13 ' A' ' 10' ' ' ILE . 51.5 tp -69.84 -43.07 72.72 Favored 'General case' 0 N--CA 1.446 -0.654 0 N-CA-C 109.046 -0.724 . . . . 0.0 109.046 -178.861 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 25.7 t-20 -56.83 -40.61 76.37 Favored 'General case' 0 C--O 1.238 0.463 0 CA-C-N 115.144 -0.935 . . . . 0.0 110.562 179.448 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 23.4 t70 -70.56 -42.54 70.98 Favored 'General case' 0 N--CA 1.47 0.542 0 CA-C-N 115.308 -0.86 . . . . 0.0 111.829 -179.557 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -65.28 -29.75 70.54 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.517 -179.567 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . 0.498 HG13 ' O ' ' A' ' 6' ' ' LEU . 99.6 mt -63.35 -52.84 53.25 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 N-CA-C 109.099 -0.704 . . . . 0.0 109.099 173.906 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . 0.423 ' O ' ' HG3' ' A' ' 15' ' ' LYS . 45.8 mm-40 -59.56 -41.97 91.37 Favored 'General case' 0 CA--C 1.508 -0.67 0 CA-C-N 115.936 -0.575 . . . . 0.0 111.903 -178.593 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -62.15 -37.62 85.89 Favored 'General case' 0 C--N 1.311 -1.104 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.887 177.467 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 2.2 tpmt? -68.82 -44.1 74.22 Favored 'General case' 0 N--CA 1.463 0.201 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.22 -177.885 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.495 ' O ' HG13 ' A' ' 18' ' ' ILE . 8.4 ptmm? -70.03 -33.43 71.98 Favored 'General case' 0 C--N 1.318 -0.789 0 N-CA-C 112.436 0.532 . . . . 0.0 112.436 179.318 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . 0.423 ' HG3' ' O ' ' A' ' 11' ' ' GLU . 55.2 mtpt -65.47 -40.69 93.45 Favored 'General case' 0 C--O 1.242 0.673 0 C-N-CA 120.648 -0.421 . . . . 0.0 110.325 175.602 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . 0.405 ' O ' ' HG ' ' A' ' 20' ' ' LEU . 17.5 tp10 -60.95 -47.12 87.91 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 108.398 -0.964 . . . . 0.0 108.398 175.468 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.497 ' O ' HG22 ' A' ' 21' ' ' VAL . 47.6 tp -60.09 -42.08 93.85 Favored 'General case' 0 C--O 1.221 -0.403 0 CA-C-N 115.381 -0.827 . . . . 0.0 111.772 -179.31 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . 0.495 HG13 ' O ' ' A' ' 14' ' ' LYS . 77.9 mt -53.77 -46.73 63.02 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.903 0 CA-C-O 121.249 0.547 . . . . 0.0 110.164 177.154 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 74.0 t80 -67.98 -39.06 83.38 Favored 'General case' 0 C--N 1.313 -1.017 0 CA-C-N 114.85 -1.068 . . . . 0.0 110.327 -179.311 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.405 ' HG ' ' O ' ' A' ' 16' ' ' GLU . 96.0 mt -65.71 -34.65 78.68 Favored 'General case' 0 C--N 1.314 -0.95 0 CA-C-N 115.937 -0.574 . . . . 0.0 112.0 179.141 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . 0.497 HG22 ' O ' ' A' ' 17' ' ' LEU . 54.7 t -66.86 -33.14 61.47 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.802 0 CA-C-O 121.561 0.696 . . . . 0.0 109.27 175.575 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -68.84 -37.76 79.37 Favored 'General case' 0 C--N 1.3 -1.558 0 O-C-N 121.689 -0.632 . . . . 0.0 111.545 175.723 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 32.0 mmmt -82.05 -48.38 11.46 Favored 'General case' 0 C--N 1.321 -0.672 0 N-CA-C 112.773 0.657 . . . . 0.0 112.773 -177.187 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 59.8 m-85 -90.7 -47.29 7.74 Favored 'General case' 0 C--N 1.313 -1.004 0 CA-C-O 121.247 0.546 . . . . 0.0 110.405 -179.532 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . 0.497 ' HA3' ' O ' ' A' ' 21' ' ' VAL . . . 98.56 -123.63 7.94 Favored Glycine 0 C--N 1.293 -1.853 0 CA-C-N 115.736 -0.665 . . . . 0.0 111.735 -178.601 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 72.5 m-85 -119.31 -178.18 3.53 Favored 'General case' 0 C--N 1.292 -1.916 0 N-CA-C 108.241 -1.022 . . . . 0.0 108.241 -178.637 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 77.7 p 57.13 13.07 1.47 Allowed 'General case' 0 N--CA 1.476 0.851 0 C-N-CA 125.764 1.626 . . . . 0.0 114.12 -178.608 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 47.4 m80 -102.66 117.52 34.84 Favored 'General case' 0 CA--C 1.486 -1.484 0 O-C-N 122.223 -0.298 . . . . 0.0 110.736 -177.847 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 63.7 m80 -60.85 -26.33 67.3 Favored 'General case' 0 C--N 1.316 -0.884 0 CA-C-N 115.567 -0.742 . . . . 0.0 111.492 179.789 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 46.2 mtpt -60.97 -49.14 78.66 Favored 'General case' 0 C--O 1.216 -0.679 0 N-CA-C 109.561 -0.533 . . . . 0.0 109.561 174.655 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 59.6 t -66.37 -38.69 82.34 Favored 'Isoleucine or valine' 0 C--O 1.24 0.568 0 CA-C-N 115.97 -0.559 . . . . 0.0 109.821 -178.713 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 70.2 mt -60.3 -44.69 96.31 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.636 0 CA-C-N 115.745 -0.661 . . . . 0.0 110.582 177.591 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 11.3 p -70.27 -36.38 74.39 Favored 'General case' 0 N--CA 1.446 -0.63 0 N-CA-C 112.132 0.419 . . . . 0.0 112.132 178.737 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 25.6 m-85 -64.2 -37.01 85.94 Favored 'General case' 0 N--CA 1.471 0.599 0 CA-C-O 120.914 0.388 . . . . 0.0 110.113 176.295 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 58.8 m -63.45 -43.08 98.39 Favored 'General case' 0 N--CA 1.447 -0.592 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.347 176.911 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 49.4 mt-30 -64.24 -32.05 73.48 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.079 -0.51 . . . . 0.0 111.089 179.017 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . 0.457 ' O ' ' HG ' ' A' ' 41' ' ' LEU . 20.3 mm-40 -69.32 -50.03 50.33 Favored 'General case' 0 C--N 1.32 -0.701 0 N-CA-C 110.065 -0.346 . . . . 0.0 110.065 174.967 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -59.58 -48.19 82.61 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.914 -179.074 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 34.5 t70 -60.39 -40.97 92.8 Favored 'General case' 0 C--N 1.318 -0.802 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.841 -178.81 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . 0.458 ' O ' ' HG ' ' A' ' 44' ' ' LEU . 30.8 tpt180 -69.32 -38.36 78.19 Favored 'General case' 0 CA--C 1.537 0.444 0 CA-C-N 116.41 -0.359 . . . . 0.0 111.09 178.021 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.457 ' HG ' ' O ' ' A' ' 37' ' ' GLU . 94.8 mt -62.12 -43.44 98.82 Favored 'General case' 0 N--CA 1.468 0.474 0 CA-C-O 120.742 0.306 . . . . 0.0 110.26 177.426 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 56.6 tp -63.64 -41.17 98.27 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 121.866 0.841 . . . . 0.0 109.509 176.582 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 20.3 t-20 -65.73 -27.03 68.02 Favored 'General case' 0 C--N 1.308 -1.215 0 CA-C-N 114.512 -1.222 . . . . 0.0 111.317 -178.613 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.458 ' HG ' ' O ' ' A' ' 40' ' ' ARG . 84.4 mt -59.44 -37.01 77.01 Favored 'General case' 0 N--CA 1.466 0.346 0 C-N-CA 122.594 0.358 . . . . 0.0 111.283 177.672 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 90.6 mt -63.65 -50.91 67.42 Favored 'General case' 0 CA--C 1.513 -0.475 0 N-CA-C 108.999 -0.741 . . . . 0.0 108.999 177.947 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 67.5 mt -58.69 -49.63 81.96 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.673 0 CA-C-N 114.729 -1.123 . . . . 0.0 110.11 -178.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 43.2 tt0 . . . . . 0 C--N 1.321 -0.651 0 CA-C-N 115.704 -0.68 . . . . 0.0 110.709 179.192 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 29.5 m . . . . . 0 CA--C 1.541 0.607 0 N-CA-C 112.973 0.731 . . . . 0.0 112.973 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 11.9 t -59.39 -28.91 67.31 Favored 'General case' 0 C--N 1.313 -1.012 0 O-C-N 122.218 -0.301 . . . . 0.0 111.613 178.685 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 15.3 ptmm? -67.81 -28.65 67.76 Favored 'General case' 0 N--CA 1.47 0.558 0 CA-C-O 121.478 0.656 . . . . 0.0 110.508 179.65 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.428 ' O ' HG13 ' A' ' 10' ' ' ILE . 30.2 tp -75.55 -31.37 60.03 Favored 'General case' 0 N--CA 1.441 -0.915 0 N-CA-C 108.336 -0.987 . . . . 0.0 108.336 178.389 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 32.6 m-80 -68.54 -33.08 73.48 Favored 'General case' 0 CA--C 1.508 -0.668 0 CA-C-N 115.486 -0.779 . . . . 0.0 110.329 177.062 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 16.5 t70 -58.15 -43.25 87.27 Favored 'General case' 0 C--O 1.239 0.537 0 N-CA-C 108.707 -0.849 . . . . 0.0 108.707 174.673 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . 0.424 ' O ' ' HG2' ' A' ' 13' ' ' LYS . 96.9 mtt180 -65.46 -42.96 91.76 Favored 'General case' 0 C--O 1.205 -1.262 0 CA-C-N 115.29 -0.868 . . . . 0.0 111.27 175.115 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . 0.428 HG13 ' O ' ' A' ' 6' ' ' LEU . 68.3 mt -55.31 -53.39 35.89 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.594 0 O-C-N 123.18 0.3 . . . . 0.0 110.469 179.85 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 65.1 mm-40 -56.32 -43.85 79.38 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 123.603 0.565 . . . . 0.0 110.954 177.166 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -64.26 -38.47 91.16 Favored 'General case' 0 C--N 1.315 -0.906 0 CA-C-N 115.778 -0.646 . . . . 0.0 111.544 -179.56 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . 0.496 ' HZ1' ' HB3' ' A' ' 13' ' ' LYS . 3.6 mmmp? -74.98 -30.7 61.26 Favored 'General case' 0 C--O 1.215 -0.723 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.537 -177.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.44 ' O ' HG13 ' A' ' 18' ' ' ILE . 26.9 mtpp -66.55 -45.85 78.03 Favored 'General case' 0 C--N 1.318 -0.799 0 CA-C-N 116.171 -0.468 . . . . 0.0 109.976 174.474 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 60.7 mtpt -64.19 -37.2 86.6 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 121.343 0.592 . . . . 0.0 110.016 177.338 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 36.0 tt0 -62.86 -46.91 85.67 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 115.404 -0.817 . . . . 0.0 109.354 175.471 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.446 ' O ' HG22 ' A' ' 21' ' ' VAL . 1.2 tt -59.15 -45.91 89.73 Favored 'General case' 0 C--N 1.324 -0.52 0 C-N-CA 123.896 0.878 . . . . 0.0 109.526 -178.853 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . 0.44 HG13 ' O ' ' A' ' 14' ' ' LYS . 82.3 mt -57.13 -47.55 83.68 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.63 0 CA-C-O 120.897 0.38 . . . . 0.0 110.052 177.625 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 73.1 t80 -59.78 -43.66 94.26 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.75 -0.659 . . . . 0.0 110.373 177.18 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 95.6 mt -61.86 -40.44 95.35 Favored 'General case' 0 C--N 1.316 -0.886 0 CA-C-N 115.862 -0.608 . . . . 0.0 111.675 178.632 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . 0.446 HG22 ' O ' ' A' ' 17' ' ' LEU . 77.6 t -63.14 -40.55 89.48 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.564 0 N-CA-C 109.734 -0.469 . . . . 0.0 109.734 176.595 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 57.0 mm-40 -61.2 -35.27 76.71 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.035 -0.529 . . . . 0.0 111.537 176.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 13.6 mmmm -81.79 -48.72 11.25 Favored 'General case' 0 C--N 1.314 -0.945 0 CA-C-O 120.868 0.366 . . . . 0.0 111.132 -178.484 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . 0.459 ' HB3' ' NE2' ' A' ' 28' ' ' HIS . 68.5 m-85 -77.39 -43.39 32.85 Favored 'General case' 0 C--N 1.306 -1.308 0 N-CA-C 113.33 0.863 . . . . 0.0 113.33 -174.505 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 128.94 -97.04 0.41 Allowed Glycine 0 N--CA 1.433 -1.52 0 C-N-CA 120.294 -0.955 . . . . 0.0 113.168 177.716 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 78.3 m-85 -117.99 -173.87 2.53 Favored 'General case' 0 C--N 1.3 -1.585 0 O-C-N 122.526 -0.396 . . . . 0.0 111.581 -177.055 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 1.8 m -79.7 68.78 5.86 Favored 'General case' 0 N--CA 1.432 -1.338 0 CA-C-O 121.695 0.76 . . . . 0.0 112.64 -170.582 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' HIS . . . . . 0.545 ' O ' HG12 ' A' ' 32' ' ' ILE . 2.0 p-80 -92.03 -176.86 4.53 Favored 'General case' 0 C--N 1.293 -1.869 0 CA-C-N 115.14 -0.936 . . . . 0.0 109.542 173.754 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 70.9 t60 -52.72 -40.36 62.94 Favored 'General case' 0 C--O 1.248 0.979 0 N-CA-C 113.583 0.957 . . . . 0.0 113.583 -174.066 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 49.6 mmtm -55.53 -52.76 62.64 Favored 'General case' 0 N--CA 1.47 0.527 0 N-CA-C 110.099 -0.334 . . . . 0.0 110.099 177.305 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 72.0 t -64.14 -36.69 77.77 Favored 'Isoleucine or valine' 0 C--O 1.241 0.616 0 CA-C-N 115.775 -0.648 . . . . 0.0 111.249 -178.173 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . 0.545 HG12 ' O ' ' A' ' 28' ' ' HIS . 42.4 mm -58.79 -50.86 77.86 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.856 0 N-CA-C 108.744 -0.836 . . . . 0.0 108.744 177.009 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 35.6 m -58.22 -41.01 83.15 Favored 'General case' 0 C--N 1.308 -1.223 0 CA-C-N 114.472 -1.24 . . . . 0.0 112.029 179.361 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 19.6 m-85 -68.94 -32.28 71.78 Favored 'General case' 0 C--O 1.239 0.546 0 CA-C-O 121.198 0.523 . . . . 0.0 110.238 179.79 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 27.8 m -71.92 -41.7 67.58 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-N 115.659 -0.7 . . . . 0.0 110.34 179.395 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 80.4 mt-30 -66.42 -31.46 72.23 Favored 'General case' 0 N--CA 1.463 0.187 0 CA-C-N 116.472 -0.331 . . . . 0.0 111.174 177.927 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . 0.466 ' O ' ' HG ' ' A' ' 41' ' ' LEU . 8.0 tp10 -60.42 -38.97 85.73 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 109.056 -0.72 . . . . 0.0 109.056 175.788 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -69.99 -43.57 71.17 Favored 'General case' 0 N--CA 1.438 -1.041 0 CA-C-N 115.455 -0.793 . . . . 0.0 109.875 -177.844 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 36.2 m-20 -62.75 -34.96 78.28 Favored 'General case' 0 N--CA 1.472 0.653 0 CA-C-O 120.89 0.376 . . . . 0.0 110.5 177.491 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 40.2 ttm180 -61.45 -40.3 93.98 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.516 -0.765 . . . . 0.0 110.334 176.834 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.466 ' HG ' ' O ' ' A' ' 37' ' ' GLU . 89.4 mt -65.63 -35.16 79.98 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-O 121.037 0.446 . . . . 0.0 110.377 178.702 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 67.0 tp -65.72 -41.52 92.16 Favored 'General case' 0 C--N 1.32 -0.707 0 N-CA-C 108.835 -0.802 . . . . 0.0 108.835 175.571 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 14.9 m120 -61.19 -30.5 70.46 Favored 'General case' 0 N--CA 1.471 0.615 0 CA-C-N 115.536 -0.757 . . . . 0.0 110.543 177.112 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.434 ' O ' ' HB3' ' A' ' 47' ' ' GLU . 82.3 mt -68.25 -31.36 70.79 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.536 178.042 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 95.3 mt -71.18 -35.88 71.75 Favored 'General case' 0 N--CA 1.472 0.649 0 CA-C-O 121.959 0.885 . . . . 0.0 109.201 174.773 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 76.5 mt -69.68 -26.16 30.13 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.867 0 CA-C-N 114.772 -1.104 . . . . 0.0 110.413 179.077 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . 0.434 ' HB3' ' O ' ' A' ' 44' ' ' LEU . 9.5 tp10 . . . . . 0 CA--C 1.545 0.787 0 C-N-CA 123.868 0.867 . . . . 0.0 110.866 178.085 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 31.1 m . . . . . 0 C--O 1.236 0.374 0 N-CA-C 112.935 0.717 . . . . 0.0 112.935 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 13.3 t -67.78 -40.0 84.03 Favored 'General case' 0 N--CA 1.438 -1.056 0 C-N-CA 120.328 -0.549 . . . . 0.0 110.462 -179.648 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 28.9 mmmt -78.16 -27.64 48.12 Favored 'General case' 0 CA--C 1.506 -0.726 0 O-C-N 122.237 -0.289 . . . . 0.0 111.515 178.03 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.465 ' O ' HG13 ' A' ' 10' ' ' ILE . 29.4 tp -64.74 -49.34 71.17 Favored 'General case' 0 C--N 1.315 -0.909 0 N-CA-C 109.358 -0.608 . . . . 0.0 109.358 176.475 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 2.7 t-20 -61.55 -39.94 92.93 Favored 'General case' 0 C--O 1.238 0.488 0 CA-C-O 121.36 0.6 . . . . 0.0 109.825 177.552 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 25.8 t70 -61.08 -45.95 92.63 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-N 114.983 -1.008 . . . . 0.0 111.7 177.609 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . 0.445 ' O ' ' HG2' ' A' ' 13' ' ' LYS . 7.7 ptm180 -70.04 -26.77 64.19 Favored 'General case' 0 C--O 1.224 -0.284 0 C-N-CA 120.729 -0.388 . . . . 0.0 110.751 -179.212 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . 0.465 HG13 ' O ' ' A' ' 6' ' ' LEU . 72.2 mt -64.05 -42.04 94.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 CA-C-O 120.889 0.376 . . . . 0.0 110.098 175.432 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 35.8 tt0 -62.8 -38.35 90.32 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-O 121.629 0.728 . . . . 0.0 109.224 178.139 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -66.87 -27.55 67.61 Favored 'General case' 0 C--N 1.317 -0.827 0 CA-C-N 115.038 -0.983 . . . . 0.0 111.136 178.651 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . 0.445 ' HG2' ' O ' ' A' ' 9' ' ' ARG . 32.1 mmmt -72.5 -38.49 68.11 Favored 'General case' 0 CA--C 1.501 -0.916 0 N-CA-C 109.088 -0.708 . . . . 0.0 109.088 179.137 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.585 ' O ' HG13 ' A' ' 18' ' ' ILE . 63.4 mttm -59.7 -42.99 94.25 Favored 'General case' 0 C--N 1.312 -1.062 0 CA-C-N 115.397 -0.82 . . . . 0.0 110.655 177.754 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 14.3 mmmm -67.31 -27.67 67.35 Favored 'General case' 0 C--O 1.246 0.917 0 CA-C-O 121.435 0.636 . . . . 0.0 111.019 -179.107 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . 0.532 ' O ' ' HG ' ' A' ' 20' ' ' LEU . 41.1 tt0 -71.9 -48.96 41.89 Favored 'General case' 0 C--N 1.31 -1.14 0 N-CA-C 107.455 -1.313 . . . . 0.0 107.455 179.671 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.409 ' O ' HG22 ' A' ' 21' ' ' VAL . 3.8 mm? -59.99 -46.64 88.8 Favored 'General case' 0 N--CA 1.443 -0.778 0 CA-C-N 114.494 -1.23 . . . . 0.0 112.421 177.352 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . 0.585 HG13 ' O ' ' A' ' 14' ' ' LYS . 78.8 mt -53.13 -44.78 52.68 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.719 0 CA-C-O 120.778 0.323 . . . . 0.0 110.76 179.578 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 63.0 t80 -63.22 -46.03 88.88 Favored 'General case' 0 C--O 1.239 0.528 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.932 177.302 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.532 ' HG ' ' O ' ' A' ' 16' ' ' GLU . 87.0 mt -66.97 -39.04 87.13 Favored 'General case' 0 C--N 1.311 -1.084 0 CA-C-N 115.892 -0.594 . . . . 0.0 112.109 -176.206 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . 0.409 HG22 ' O ' ' A' ' 17' ' ' LEU . 88.2 t -64.03 -36.1 75.74 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.671 0 CA-C-O 121.084 0.469 . . . . 0.0 110.643 178.78 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 53.7 mm-40 -68.85 -41.15 78.85 Favored 'General case' 0 C--N 1.314 -0.96 0 CA-C-O 121.107 0.48 . . . . 0.0 111.399 176.939 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 32.5 mmmt -82.53 -47.88 11.66 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 113.699 1.0 . . . . 0.0 113.699 -175.409 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 75.4 m-85 -104.02 -40.37 6.22 Favored 'General case' 0 C--N 1.308 -1.233 0 CA-C-O 121.418 0.628 . . . . 0.0 110.563 -175.36 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 116.02 -160.55 13.29 Favored Glycine 0 N--CA 1.428 -1.877 0 N-CA-C 110.396 -1.081 . . . . 0.0 110.396 -176.236 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 47.2 p90 -104.34 -5.47 21.74 Favored 'General case' 0 C--N 1.305 -1.329 0 CA-C-O 121.432 0.634 . . . . 0.0 110.077 179.791 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 27.6 m -113.18 80.96 1.42 Allowed 'General case' 0 N--CA 1.417 -2.076 0 CA-C-O 121.483 0.658 . . . . 0.0 109.302 179.721 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' HIS . . . . . 0.424 ' O ' HG21 ' A' ' 31' ' ' VAL . 7.0 t60 -157.65 141.51 15.84 Favored 'General case' 0 C--N 1.307 -1.257 0 N-CA-C 105.519 -2.03 . . . . 0.0 105.519 175.218 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 11.4 t-80 -63.16 -33.6 75.81 Favored 'General case' 0 C--N 1.326 -0.431 0 C-N-CA 119.328 -0.949 . . . . 0.0 112.115 -174.727 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 44.0 mmtm -50.72 -58.69 5.28 Favored 'General case' 0 N--CA 1.468 0.427 0 O-C-N 123.244 0.34 . . . . 0.0 110.979 174.027 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.424 HG21 ' O ' ' A' ' 28' ' ' HIS . 22.4 m -62.16 -36.39 74.09 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.261 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.927 -175.684 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 72.6 mt -67.76 -38.29 80.0 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.728 0 CA-C-O 121.19 0.519 . . . . 0.0 109.998 178.875 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 49.2 m -65.92 -45.46 81.84 Favored 'General case' 0 C--N 1.315 -0.917 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.308 178.716 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 61.0 m-85 -68.55 -33.96 75.01 Favored 'General case' 0 CA--C 1.534 0.359 0 CA-C-O 120.728 0.299 . . . . 0.0 110.843 179.059 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 60.1 m -64.27 -36.4 83.97 Favored 'General case' 0 CA--C 1.534 0.331 0 CA-C-O 120.662 0.268 . . . . 0.0 110.561 177.231 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 48.5 mt-30 -63.52 -34.56 78.05 Favored 'General case' 0 C--O 1.235 0.323 0 CA-C-N 116.473 -0.331 . . . . 0.0 111.04 176.217 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -69.5 -44.54 70.86 Favored 'General case' 0 C--O 1.213 -0.857 0 N-CA-C 109.507 -0.553 . . . . 0.0 109.507 176.926 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -56.45 -47.95 78.06 Favored 'General case' 0 N--CA 1.467 0.412 0 N-CA-C 108.78 -0.822 . . . . 0.0 108.78 178.611 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 16.1 t70 -57.51 -49.3 76.77 Favored 'General case' 0 C--N 1.318 -0.775 0 C-N-CA 124.402 1.081 . . . . 0.0 110.924 177.927 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . 0.427 ' O ' ' HG ' ' A' ' 44' ' ' LEU . 38.4 ttm180 -64.58 -46.51 82.4 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 115.15 -0.932 . . . . 0.0 110.804 -177.097 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 10.5 mp -66.99 -36.06 81.34 Favored 'General case' 0 C--N 1.316 -0.851 0 CA-C-N 116.161 -0.472 . . . . 0.0 112.123 -178.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 40.5 tp -61.52 -43.87 98.08 Favored 'General case' 0 C--O 1.244 0.793 0 CA-C-O 121.555 0.693 . . . . 0.0 109.277 175.789 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 3.9 t-20 -62.77 -36.1 81.97 Favored 'General case' 0 C--N 1.317 -0.805 0 CA-C-N 114.828 -1.078 . . . . 0.0 110.448 179.706 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.427 ' HG ' ' O ' ' A' ' 40' ' ' ARG . 86.0 mt -58.78 -42.65 89.5 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.02 -0.536 . . . . 0.0 111.155 177.214 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 67.8 mt -59.85 -42.9 94.65 Favored 'General case' 0 CA--C 1.51 -0.566 0 CA-C-O 120.788 0.328 . . . . 0.0 110.63 177.494 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 71.0 mt -59.4 -50.73 78.8 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.5 0 CA-C-N 115.555 -0.748 . . . . 0.0 109.983 179.911 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 50.0 mt-10 . . . . . 0 C--N 1.321 -0.646 0 N-CA-C 112.663 0.616 . . . . 0.0 112.663 -179.696 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 30.6 m . . . . . 0 CA--C 1.515 -0.376 0 CA-C-O 120.739 0.304 . . . . 0.0 110.637 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 13.5 t -69.25 -39.36 78.51 Favored 'General case' 0 N--CA 1.432 -1.337 0 N-CA-C 109.39 -0.596 . . . . 0.0 109.39 179.077 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 34.4 mmtp -79.38 -29.71 42.21 Favored 'General case' 0 N--CA 1.441 -0.924 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.578 -179.124 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 24.0 tp -69.54 -40.8 76.64 Favored 'General case' 0 N--CA 1.44 -0.952 0 N-CA-C 108.619 -0.882 . . . . 0.0 108.619 176.613 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 2.7 t-20 -63.13 -39.48 94.8 Favored 'General case' 0 N--CA 1.464 0.272 0 CA-C-N 115.791 -0.64 . . . . 0.0 109.313 175.747 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 25.5 t70 -59.67 -37.48 78.86 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.406 -0.816 . . . . 0.0 111.434 176.04 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 80.2 mtp180 -67.16 -43.21 82.83 Favored 'General case' 0 N--CA 1.467 0.386 0 CA-C-O 121.009 0.433 . . . . 0.0 110.142 176.743 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 80.8 mt -60.12 -44.29 94.8 Favored 'Isoleucine or valine' 0 C--O 1.239 0.547 0 CA-C-N 115.635 -0.711 . . . . 0.0 109.287 177.449 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . 0.446 ' HA ' ' HG2' ' A' ' 14' ' ' LYS . 41.0 tt0 -59.2 -45.57 90.72 Favored 'General case' 0 N--CA 1.435 -1.193 0 CA-C-N 115.2 -0.909 . . . . 0.0 110.623 179.944 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -56.74 -36.41 69.73 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.643 -179.859 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 5.3 mptp? -74.36 -43.21 57.5 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 120.934 0.397 . . . . 0.0 110.778 178.265 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.502 ' O ' HG13 ' A' ' 18' ' ' ILE . 16.8 ptmt -73.3 -28.88 62.34 Favored 'General case' 0 C--N 1.31 -1.116 0 N-CA-C 112.056 0.391 . . . . 0.0 112.056 -176.086 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . 0.442 ' HG2' ' O ' ' A' ' 11' ' ' GLU . 14.1 mmmm -69.25 -34.93 75.55 Favored 'General case' 0 C--O 1.256 1.419 0 CA-C-O 121.374 0.607 . . . . 0.0 109.45 175.194 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . 0.401 ' O ' ' HG ' ' A' ' 20' ' ' LEU . 9.4 tp10 -71.76 -39.28 70.09 Favored 'General case' 0 CA--C 1.505 -0.764 0 N-CA-C 106.665 -1.606 . . . . 0.0 106.665 -178.912 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.449 ' O ' HG21 ' A' ' 21' ' ' VAL . 16.1 mt -54.72 -43.02 72.23 Favored 'General case' 0 C--O 1.205 -1.244 0 CA-C-N 114.694 -1.139 . . . . 0.0 112.191 174.437 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . 0.502 HG13 ' O ' ' A' ' 14' ' ' LYS . 75.0 mt -56.76 -40.23 69.13 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.649 0 N-CA-C 109.762 -0.458 . . . . 0.0 109.762 177.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 54.9 t80 -69.16 -47.05 66.03 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.837 -0.62 . . . . 0.0 110.433 176.267 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.401 ' HG ' ' O ' ' A' ' 16' ' ' GLU . 74.6 mt -61.86 -38.29 87.7 Favored 'General case' 0 C--N 1.314 -0.937 0 C-N-CA 123.292 0.637 . . . . 0.0 112.005 -177.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . 0.449 HG21 ' O ' ' A' ' 17' ' ' LEU . 94.8 t -64.39 -36.85 78.42 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.76 0 CA-C-O 121.389 0.614 . . . . 0.0 110.313 175.766 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . 0.446 ' HG2' ' O ' ' A' ' 18' ' ' ILE . 71.5 mm-40 -68.57 -39.59 80.93 Favored 'General case' 0 C--N 1.315 -0.911 0 CA-C-O 121.53 0.681 . . . . 0.0 110.503 176.319 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 45.7 tttp -77.32 -45.86 24.81 Favored 'General case' 0 N--CA 1.423 -1.794 0 CA-C-N 115.317 -0.856 . . . . 0.0 112.825 -174.593 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 73.9 m-85 -106.48 -17.53 14.24 Favored 'General case' 0 C--N 1.315 -0.926 0 N-CA-C 113.154 0.798 . . . . 0.0 113.154 -174.492 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 106.65 178.12 23.08 Favored Glycine 0 C--N 1.3 -1.446 0 C-N-CA 120.296 -0.954 . . . . 0.0 112.283 179.327 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 65.6 m-85 -89.58 133.41 34.62 Favored 'General case' 0 C--N 1.301 -1.509 0 N-CA-C 108.121 -1.066 . . . . 0.0 108.121 179.185 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 25.2 m 65.65 77.82 0.29 Allowed 'General case' 0 C--N 1.32 -0.715 0 CA-C-O 122.522 1.154 . . . . 0.0 110.345 -178.82 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 3.8 t60 -139.25 136.17 34.67 Favored 'General case' 0 C--N 1.297 -1.704 0 N-CA-C 105.108 -2.182 . . . . 0.0 105.108 -178.94 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 86.1 m-70 -61.26 -27.87 68.77 Favored 'General case' 0 N--CA 1.48 1.062 0 N-CA-C 113.802 1.038 . . . . 0.0 113.802 -173.78 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 75.6 mmtt -57.87 -53.87 53.34 Favored 'General case' 0 N--CA 1.465 0.31 0 N-CA-C 108.448 -0.945 . . . . 0.0 108.448 173.291 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 61.3 t -63.33 -43.31 98.55 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.605 0 CA-C-N 114.483 -1.235 . . . . 0.0 110.423 -178.466 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 74.9 mt -59.3 -42.2 86.47 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.378 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.922 179.085 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 50.6 m -61.37 -39.64 91.39 Favored 'General case' 0 C--O 1.246 0.896 0 CA-C-O 120.692 0.282 . . . . 0.0 111.458 179.348 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 83.0 m-85 -71.03 -31.32 67.76 Favored 'General case' 0 C--O 1.225 -0.186 0 N-CA-C 110.084 -0.339 . . . . 0.0 110.084 175.896 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 20.7 m -66.38 -35.84 81.35 Favored 'General case' 0 C--O 1.217 -0.644 0 N-CA-C 109.375 -0.602 . . . . 0.0 109.375 177.81 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 14.1 mm-40 -68.88 -28.84 67.06 Favored 'General case' 0 C--O 1.235 0.319 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.433 176.715 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 41.1 tt0 -75.44 -44.0 46.75 Favored 'General case' 0 C--N 1.318 -0.794 0 N-CA-C 108.979 -0.748 . . . . 0.0 108.979 177.394 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 4.9 tt -58.17 -46.24 86.06 Favored 'General case' 0 C--O 1.219 -0.508 0 N-CA-C 108.247 -1.02 . . . . 0.0 108.247 176.26 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 34.1 t70 -56.18 -40.0 73.25 Favored 'General case' 0 C--O 1.219 -0.516 0 C-N-CA 123.887 0.875 . . . . 0.0 110.376 179.745 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -61.27 -49.87 75.32 Favored 'General case' 0 CA--C 1.538 0.509 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.754 176.576 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 10.3 mp -66.57 -32.89 74.53 Favored 'General case' 0 N--CA 1.467 0.414 0 CA-C-O 121.037 0.446 . . . . 0.0 111.416 -179.686 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 7.5 tt -66.24 -41.46 89.98 Favored 'General case' 0 C--N 1.311 -1.101 0 N-CA-C 108.849 -0.797 . . . . 0.0 108.849 176.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 12.9 m120 -64.6 -27.27 68.83 Favored 'General case' 0 C--O 1.209 -1.047 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.938 178.431 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 94.2 mt -61.94 -32.24 72.65 Favored 'General case' 0 C--N 1.321 -0.636 0 O-C-N 123.137 0.273 . . . . 0.0 111.25 179.427 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 94.4 mt -65.27 -39.64 92.87 Favored 'General case' 0 C--O 1.237 0.403 0 N-CA-C 109.211 -0.663 . . . . 0.0 109.211 175.193 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 2.0 mp -72.8 -40.89 61.4 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.846 0 CA-C-N 115.133 -0.94 . . . . 0.0 110.147 179.401 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 35.5 mt-10 . . . . . 0 C--O 1.215 -0.727 0 O-C-N 122.254 -0.279 . . . . 0.0 111.511 177.651 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 33.3 m . . . . . 0 N--CA 1.47 0.541 0 N-CA-C 112.106 0.41 . . . . 0.0 112.106 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 28.6 m -53.35 -41.44 65.78 Favored 'General case' 0 C--N 1.319 -0.734 0 C-N-CA 125.018 1.327 . . . . 0.0 112.112 -173.516 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . 0.517 ' O ' ' HG3' ' A' ' 9' ' ' ARG . 22.8 pttm -55.31 -26.8 42.77 Favored 'General case' 0 C--N 1.306 -1.317 0 CA-C-N 114.916 -1.038 . . . . 0.0 112.651 -178.565 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 44.4 tp -64.12 -50.22 69.09 Favored 'General case' 0 C--O 1.234 0.254 0 N-CA-C 109.726 -0.472 . . . . 0.0 109.726 178.354 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' ASN . . . . . 0.419 ' O ' ' HG2' ' A' ' 11' ' ' GLU . 9.5 t30 -68.06 -32.23 72.43 Favored 'General case' 0 CA--C 1.508 -0.655 0 N-CA-C 108.992 -0.744 . . . . 0.0 108.992 178.559 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . 0.407 ' HB3' ' O ' ' A' ' 5' ' ' LYS . 25.1 t70 -60.71 -32.54 71.78 Favored 'General case' 0 C--N 1.31 -1.125 0 CA-C-N 114.843 -1.071 . . . . 0.0 110.888 176.9 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . 0.517 ' HG3' ' O ' ' A' ' 5' ' ' LYS . 71.9 mtp180 -68.17 -39.77 82.48 Favored 'General case' 0 C--O 1.24 0.597 0 N-CA-C 108.718 -0.845 . . . . 0.0 108.718 176.151 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 49.1 mt -63.11 -48.7 86.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 CA-C-N 115.02 -0.991 . . . . 0.0 109.256 179.131 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . 0.425 ' O ' ' HG2' ' A' ' 14' ' ' LYS . 18.8 mm-40 -51.16 -48.38 61.9 Favored 'General case' 0 N--CA 1.467 0.423 0 O-C-N 123.909 0.756 . . . . 0.0 111.321 179.391 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -64.38 -41.58 96.6 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.574 -179.929 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 61.8 mttp -77.37 -32.51 55.03 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 113.525 0.935 . . . . 0.0 113.525 -176.771 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.448 ' O ' HG13 ' A' ' 18' ' ' ILE . 18.6 ptmt -67.27 -34.46 77.46 Favored 'General case' 0 C--N 1.32 -0.68 0 C-N-CA 120.684 -0.406 . . . . 0.0 109.922 -179.846 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 75.9 mmtt -70.75 -30.61 67.17 Favored 'General case' 0 C--O 1.239 0.551 0 CA-C-O 121.303 0.573 . . . . 0.0 110.209 177.562 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . 0.477 ' O ' ' HG ' ' A' ' 20' ' ' LEU . 38.6 tt0 -74.89 -42.83 57.08 Favored 'General case' 0 C--N 1.315 -0.933 0 N-CA-C 108.649 -0.871 . . . . 0.0 108.649 -178.63 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.431 ' O ' HG22 ' A' ' 21' ' ' VAL . 13.7 mt -59.39 -42.31 91.43 Favored 'General case' 0 N--CA 1.427 -1.579 0 CA-C-N 114.716 -1.129 . . . . 0.0 112.458 176.518 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . 0.448 HG13 ' O ' ' A' ' 14' ' ' LYS . 85.8 mt -57.38 -44.79 84.98 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.63 0 CA-C-O 120.74 0.305 . . . . 0.0 110.26 176.51 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 65.1 t80 -61.8 -45.29 94.47 Favored 'General case' 0 C--O 1.248 0.999 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.487 176.703 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.477 ' HG ' ' O ' ' A' ' 16' ' ' GLU . 84.5 mt -63.96 -42.26 97.32 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.91 -0.586 . . . . 0.0 111.087 -179.716 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . 0.513 ' O ' ' HA3' ' A' ' 25' ' ' GLY . 78.3 t -62.2 -33.24 57.73 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.836 0 C-N-CA 123.124 0.57 . . . . 0.0 111.838 178.199 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . 0.411 ' HG3' ' O ' ' A' ' 18' ' ' ILE . 47.0 mt-10 -68.34 -50.48 53.03 Favored 'General case' 0 C--N 1.314 -0.972 0 O-C-N 121.416 -0.802 . . . . 0.0 110.914 175.142 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 11.6 mptt -81.9 -48.37 11.6 Favored 'General case' 0 C--N 1.319 -0.723 0 N-CA-C 113.674 0.99 . . . . 0.0 113.674 -171.198 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 92.5 m-85 -98.53 -42.13 7.44 Favored 'General case' 0 C--N 1.304 -1.37 0 N-CA-C 109.003 -0.74 . . . . 0.0 109.003 -179.922 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . 0.513 ' HA3' ' O ' ' A' ' 21' ' ' VAL . . . 89.08 -129.19 9.53 Favored Glycine 0 N--CA 1.419 -2.45 0 N-CA-C 109.406 -1.478 . . . . 0.0 109.406 -177.679 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 50.4 m-85 -112.1 -158.07 0.64 Allowed 'General case' 0 C--N 1.276 -2.59 0 N-CA-C 107.577 -1.268 . . . . 0.0 107.577 173.676 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 59.2 p 68.47 -40.58 0.43 Allowed 'General case' 0 N--CA 1.481 1.076 0 C-N-CA 125.729 1.612 . . . . 0.0 112.257 -174.135 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 23.4 t60 -62.36 115.8 4.51 Favored 'General case' 0 N--CA 1.439 -0.982 0 N-CA-C 108.031 -1.1 . . . . 0.0 108.031 176.313 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 91.5 m-70 -59.39 -35.45 73.97 Favored 'General case' 0 C--N 1.306 -1.287 0 C-N-CA 124.475 1.11 . . . . 0.0 113.285 -171.459 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 75.4 mmtt -62.68 -44.16 96.96 Favored 'General case' 0 C--O 1.224 -0.257 0 C-N-CA 120.686 -0.406 . . . . 0.0 110.581 178.719 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 91.6 t -59.46 -45.33 93.78 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.581 0 N-CA-C 109.409 -0.589 . . . . 0.0 109.409 -179.772 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . 0.446 ' O ' ' HG3' ' A' ' 36' ' ' GLN . 67.3 mt -62.29 -45.85 97.8 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.909 0 CA-C-N 115.2 -0.909 . . . . 0.0 109.936 179.469 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 21.7 m -64.71 -36.1 83.19 Favored 'General case' 0 C--O 1.245 0.83 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.827 -178.676 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 18.8 m-85 -71.75 -38.95 70.34 Favored 'General case' 0 N--CA 1.463 0.197 0 N-CA-C 110.03 -0.359 . . . . 0.0 110.03 178.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 22.1 t -63.97 -32.48 74.03 Favored 'General case' 0 C--O 1.242 0.709 0 CA-C-O 121.382 0.611 . . . . 0.0 110.084 178.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . 0.446 ' HG3' ' O ' ' A' ' 32' ' ' ILE . 78.1 mt-30 -67.17 -40.09 86.53 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.652 176.037 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . 0.523 ' O ' ' HG ' ' A' ' 41' ' ' LEU . 35.9 tt0 -68.38 -42.08 79.66 Favored 'General case' 0 N--CA 1.447 -0.586 0 N-CA-C 109.406 -0.59 . . . . 0.0 109.406 -179.325 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 7.2 tt -53.17 -53.38 51.42 Favored 'General case' 0 CA--C 1.531 0.228 0 O-C-N 124.011 0.819 . . . . 0.0 109.601 177.899 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 15.4 t70 -56.82 -42.41 79.53 Favored 'General case' 0 N--CA 1.477 0.908 0 CA-C-O 121.113 0.482 . . . . 0.0 111.323 179.091 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . 0.477 ' O ' ' HG ' ' A' ' 44' ' ' LEU . 20.0 mmt180 -71.42 -29.37 64.81 Favored 'General case' 0 N--CA 1.439 -0.975 0 N-CA-C 112.715 0.635 . . . . 0.0 112.715 -178.924 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.523 ' HG ' ' O ' ' A' ' 37' ' ' GLU . 98.2 mt -65.83 -37.25 85.7 Favored 'General case' 0 C--N 1.317 -0.818 0 N-CA-C 109.014 -0.736 . . . . 0.0 109.014 174.355 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.508 ' O ' HG13 ' A' ' 46' ' ' ILE . 3.9 mm? -61.94 -39.59 92.61 Favored 'General case' 0 C--O 1.219 -0.508 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.095 173.492 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -63.31 -27.85 69.61 Favored 'General case' 0 N--CA 1.485 1.286 0 CA-C-O 121.372 0.606 . . . . 0.0 111.417 178.522 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.477 ' HG ' ' O ' ' A' ' 40' ' ' ARG . 86.6 mt -72.65 -40.45 66.36 Favored 'General case' 0 C--N 1.312 -1.034 0 CA-C-N 115.751 -0.659 . . . . 0.0 109.261 177.004 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 90.0 mt -64.96 -38.38 90.76 Favored 'General case' 0 CA--C 1.512 -0.512 0 CA-C-N 116.646 -0.252 . . . . 0.0 110.527 177.23 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . 0.508 HG13 ' O ' ' A' ' 42' ' ' LEU . 78.1 mt -59.03 -31.74 46.31 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.475 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.053 177.615 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 34.0 tt0 . . . . . 0 C--N 1.313 -0.991 0 N-CA-C 109.484 -0.561 . . . . 0.0 109.484 178.555 . . . . . . . . 0 0 . 1 . 021 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 27.3 m . . . . . 0 CA--C 1.512 -0.487 0 N-CA-C 112.265 0.468 . . . . 0.0 112.265 . . . . . . . . . 0 0 . 1 . 021 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 9.0 t -65.96 -38.02 87.5 Favored 'General case' 0 CA--C 1.551 1.007 0 CA-C-O 121.083 0.468 . . . . 0.0 109.82 176.092 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 26.9 mmtt -77.62 -30.14 52.16 Favored 'General case' 0 N--CA 1.437 -1.075 0 O-C-N 121.886 -0.509 . . . . 0.0 111.796 176.386 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.406 ' O ' HG13 ' A' ' 10' ' ' ILE . 58.8 tp -61.88 -43.22 99.28 Favored 'General case' 0 C--N 1.319 -0.727 0 N-CA-C 107.88 -1.155 . . . . 0.0 107.88 173.891 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 25.8 t-20 -63.52 -40.32 96.73 Favored 'General case' 0 C--O 1.212 -0.92 0 CA-C-N 115.096 -0.956 . . . . 0.0 110.588 178.186 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 32.6 t70 -58.62 -37.96 77.02 Favored 'General case' 0 N--CA 1.488 1.432 0 CA-C-O 121.248 0.547 . . . . 0.0 111.36 178.26 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 81.1 mtp180 -65.17 -50.19 66.93 Favored 'General case' 0 C--O 1.243 0.757 0 CA-C-O 121.41 0.624 . . . . 0.0 109.74 177.035 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . 0.528 ' O ' ' HG2' ' A' ' 14' ' ' LYS . 74.3 mt -62.88 -44.12 99.37 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.739 0 CA-C-N 114.555 -1.202 . . . . 0.0 110.89 -178.137 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 7.8 tp10 -56.57 -40.09 74.61 Favored 'General case' 0 C--N 1.33 -0.247 0 C-N-CA 123.79 0.836 . . . . 0.0 110.65 -178.02 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -65.45 -36.73 84.79 Favored 'General case' 0 C--N 1.316 -0.852 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.645 178.41 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 34.9 mmtp -76.56 -39.85 51.54 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.623 -177.828 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.528 ' HG2' ' O ' ' A' ' 10' ' ' ILE . 10.1 ptmm? -73.89 -31.87 63.32 Favored 'General case' 0 C--N 1.313 -0.987 0 N-CA-C 112.76 0.652 . . . . 0.0 112.76 -179.746 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . 0.418 ' C ' ' HD3' ' A' ' 15' ' ' LYS . 0.0 OUTLIER -65.42 -32.71 74.48 Favored 'General case' 0 C--O 1.237 0.415 0 C-N-CA 119.728 -0.789 . . . . 0.0 109.431 175.936 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . 0.546 ' O ' ' HG ' ' A' ' 20' ' ' LEU . 34.5 tt0 -73.01 -46.48 51.88 Favored 'General case' 0 N--CA 1.431 -1.397 0 CA-C-N 114.71 -1.132 . . . . 0.0 109.109 177.01 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.518 ' O ' HG21 ' A' ' 21' ' ' VAL . 58.0 tp -56.68 -45.83 81.5 Favored 'General case' 0 C--O 1.216 -0.676 0 CA-C-N 115.802 -0.635 . . . . 0.0 111.561 179.447 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . 0.515 HG13 ' O ' ' A' ' 14' ' ' LYS . 75.9 mt -59.95 -42.7 90.35 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.448 0 N-CA-C 109.561 -0.533 . . . . 0.0 109.561 178.882 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 79.1 t80 -61.68 -39.62 92.05 Favored 'General case' 0 C--O 1.239 0.541 0 CA-C-O 121.325 0.583 . . . . 0.0 109.838 177.653 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.546 ' HG ' ' O ' ' A' ' 16' ' ' GLU . 76.9 mt -66.86 -35.61 80.42 Favored 'General case' 0 C--O 1.212 -0.899 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.466 178.404 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . 0.518 HG21 ' O ' ' A' ' 17' ' ' LEU . 82.6 t -67.29 -36.79 77.65 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.795 0 CA-C-O 120.97 0.414 . . . . 0.0 110.23 177.158 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . 0.509 ' HG3' ' O ' ' A' ' 18' ' ' ILE . 48.1 mt-10 -67.89 -51.68 45.21 Favored 'General case' 0 C--N 1.309 -1.161 0 CA-C-O 120.946 0.403 . . . . 0.0 110.503 177.896 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 74.4 mmtt -81.96 -47.99 12.02 Favored 'General case' 0 C--N 1.32 -0.675 0 N-CA-C 113.816 1.043 . . . . 0.0 113.816 -174.229 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 90.4 m-85 -96.84 -37.52 10.21 Favored 'General case' 0 C--N 1.311 -1.106 0 CA-C-O 120.718 0.294 . . . . 0.0 110.996 -176.001 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 78.66 159.47 14.29 Favored Glycine 0 C--O 1.258 1.631 0 CA-C-N 115.902 -0.59 . . . . 0.0 114.086 175.709 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 43.6 m-85 -72.16 87.09 1.08 Allowed 'General case' 0 N--CA 1.441 -0.879 0 CA-C-O 121.933 0.873 . . . . 0.0 111.15 176.205 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 14.8 t -169.49 -28.75 0.02 OUTLIER 'General case' 0 C--N 1.288 -2.084 0 N-CA-C 105.911 -1.885 . . . . 0.0 105.911 178.199 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 35.2 m80 -74.39 131.31 40.98 Favored 'General case' 0 N--CA 1.434 -1.259 0 CA-C-N 114.431 -1.258 . . . . 0.0 108.521 170.902 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 56.1 t60 -61.86 -32.85 73.24 Favored 'General case' 0 C--N 1.32 -0.699 0 O-C-N 123.786 0.679 . . . . 0.0 109.26 -179.883 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 44.1 mmtm -50.92 -58.94 4.74 Favored 'General case' 0 C--O 1.225 -0.226 0 O-C-N 123.802 0.689 . . . . 0.0 110.857 175.109 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 59.5 t -59.48 -42.98 89.6 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.71 0 C-N-CA 123.34 0.656 . . . . 0.0 110.81 -177.69 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 71.1 mt -66.06 -41.86 90.4 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.868 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.522 -179.423 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 20.7 t -66.98 -43.34 83.28 Favored 'General case' 0 C--N 1.317 -0.811 0 C-N-CA 122.697 0.399 . . . . 0.0 110.092 179.933 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 24.6 m-85 -66.08 -33.26 75.38 Favored 'General case' 0 C--O 1.214 -0.769 0 C-N-CA 120.97 -0.292 . . . . 0.0 110.692 178.595 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 11.5 t -67.49 -44.12 79.29 Favored 'General case' 0 C--N 1.319 -0.741 0 N-CA-C 109.723 -0.473 . . . . 0.0 109.723 179.055 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 49.7 mt-30 -65.43 -33.12 75.21 Favored 'General case' 0 N--CA 1.471 0.582 0 CA-C-O 121.635 0.731 . . . . 0.0 110.372 177.962 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 40.9 tp10 -69.39 -45.36 69.49 Favored 'General case' 0 N--CA 1.438 -1.053 0 CA-C-N 115.539 -0.755 . . . . 0.0 109.091 177.602 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 1.3 tm? -61.29 -37.43 83.17 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.309 -0.859 . . . . 0.0 108.816 178.866 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 29.5 m-20 -56.64 -44.08 80.92 Favored 'General case' 0 CA--C 1.509 -0.631 0 CA-C-O 120.65 0.262 . . . . 0.0 111.186 175.643 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 26.9 tpt180 -70.75 -36.87 73.32 Favored 'General case' 0 C--N 1.319 -0.757 0 C-N-CA 120.363 -0.535 . . . . 0.0 110.849 179.508 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 10.8 mp -62.64 -40.92 98.54 Favored 'General case' 0 N--CA 1.474 0.743 0 CA-C-O 120.937 0.398 . . . . 0.0 111.151 175.379 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 50.7 tp -63.94 -30.5 71.58 Favored 'General case' 0 C--N 1.318 -0.799 0 CA-C-O 121.738 0.78 . . . . 0.0 109.805 177.876 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . 0.505 ' O ' ' HG2' ' A' ' 47' ' ' GLU . 8.4 m-80 -75.36 -17.87 60.12 Favored 'General case' 0 C--N 1.316 -0.875 0 CA-C-N 115.046 -0.979 . . . . 0.0 112.476 177.583 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 95.6 mt -63.95 -31.86 73.19 Favored 'General case' 0 C--O 1.22 -0.494 0 CA-C-O 120.844 0.354 . . . . 0.0 110.722 179.649 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 6.5 mp -63.37 -38.23 90.34 Favored 'General case' 0 C--N 1.322 -0.587 0 N-CA-C 109.202 -0.666 . . . . 0.0 109.202 176.135 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 86.6 mt -69.25 -40.71 80.65 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.664 0 CA-C-N 114.998 -1.001 . . . . 0.0 109.72 178.054 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . 0.505 ' HG2' ' O ' ' A' ' 43' ' ' ASN . 32.9 mm-40 . . . . . 0 C--N 1.318 -0.794 0 N-CA-C 108.986 -0.746 . . . . 0.0 108.986 176.813 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 27.7 m . . . . . 0 N--CA 1.447 -0.608 0 CA-C-O 120.86 0.362 . . . . 0.0 110.319 . . . . . . . . . 0 0 . 1 . 022 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 12.2 t -65.87 -32.77 74.48 Favored 'General case' 0 N--CA 1.441 -0.918 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.014 176.824 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 42.0 mmtm -78.59 -30.47 46.68 Favored 'General case' 0 CA--C 1.505 -0.784 0 CA-C-O 120.704 0.288 . . . . 0.0 110.639 178.042 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 45.5 tp -68.0 -43.81 78.03 Favored 'General case' 0 C--N 1.316 -0.864 0 N-CA-C 107.984 -1.117 . . . . 0.0 107.984 175.99 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 7' ' ' ASN . . . . . 0.5 ' O ' ' HG2' ' A' ' 11' ' ' GLU . 7.9 t30 -60.94 -40.99 95.38 Favored 'General case' 0 C--O 1.219 -0.539 0 CA-C-N 115.092 -0.958 . . . . 0.0 109.522 176.351 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 19.2 t70 -58.99 -34.42 71.81 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-N 114.742 -1.117 . . . . 0.0 110.663 179.688 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 61.8 mtp180 -67.85 -39.46 83.8 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.67 -0.696 . . . . 0.0 110.12 176.849 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . 0.492 ' O ' ' HG3' ' A' ' 14' ' ' LYS . 53.9 mt -63.17 -42.63 97.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 N-CA-C 108.704 -0.85 . . . . 0.0 108.704 178.421 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . 0.5 ' HG2' ' O ' ' A' ' 7' ' ' ASN . 16.8 mm-40 -55.5 -47.22 76.55 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.411 -0.813 . . . . 0.0 111.056 179.103 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -70.46 -27.85 64.56 Favored 'General case' 0 C--O 1.246 0.889 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.853 -179.261 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 18.1 tptm -77.24 -33.11 56.12 Favored 'General case' 0 C--N 1.317 -0.811 0 N-CA-C 109.118 -0.697 . . . . 0.0 109.118 -178.361 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.572 ' O ' HG12 ' A' ' 18' ' ' ILE . 97.9 mttt -58.77 -49.29 78.2 Favored 'General case' 0 C--O 1.21 -0.975 0 CA-C-N 115.649 -0.705 . . . . 0.0 109.323 173.501 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 29.1 mtpp -58.76 -40.08 82.87 Favored 'General case' 0 N--CA 1.47 0.53 0 O-C-N 123.853 0.721 . . . . 0.0 110.45 -179.375 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 33.4 tt0 -65.72 -42.26 91.29 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-N 115.637 -0.711 . . . . 0.0 109.23 179.221 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.495 ' O ' HG21 ' A' ' 21' ' ' VAL . 55.1 tp -64.15 -41.59 97.12 Favored 'General case' 0 N--CA 1.445 -0.72 0 CA-C-N 115.37 -0.832 . . . . 0.0 110.862 179.375 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . 0.572 HG12 ' O ' ' A' ' 14' ' ' LYS . 27.3 mm -53.81 -51.98 39.34 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.678 0 N-CA-C 108.468 -0.938 . . . . 0.0 108.468 179.511 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 54.1 t80 -55.96 -43.52 77.6 Favored 'General case' 0 C--N 1.314 -0.976 0 CA-C-N 113.528 -1.669 . . . . 0.0 110.449 -178.281 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.486 HD12 ' CE2' ' A' ' 34' ' ' PHE . 80.5 mt -74.49 -36.34 63.26 Favored 'General case' 0 C--N 1.309 -1.169 0 CA-C-N 115.438 -0.801 . . . . 0.0 112.775 -178.556 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . 0.495 HG21 ' O ' ' A' ' 17' ' ' LEU . 87.9 t -64.72 -40.87 90.55 Favored 'Isoleucine or valine' 0 C--O 1.241 0.606 0 CA-C-O 120.827 0.346 . . . . 0.0 110.252 178.554 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . 0.439 ' HG2' ' O ' ' A' ' 18' ' ' ILE . 44.2 mm-40 -64.51 -33.14 75.21 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-O 121.19 0.519 . . . . 0.0 110.802 179.193 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 59.3 mttm -82.03 -44.81 16.14 Favored 'General case' 0 C--N 1.316 -0.853 0 N-CA-C 113.976 1.102 . . . . 0.0 113.976 -179.056 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 89.8 m-85 -109.12 -20.34 13.03 Favored 'General case' 0 C--N 1.305 -1.328 0 N-CA-C 114.491 1.293 . . . . 0.0 114.491 -170.464 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 89.72 174.06 45.64 Favored Glycine 0 C--N 1.306 -1.092 0 C-N-CA 119.797 -1.192 . . . . 0.0 111.929 -178.955 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 26.0 p90 -84.34 -20.24 32.34 Favored 'General case' 0 C--N 1.309 -1.163 0 CA-C-O 121.148 0.499 . . . . 0.0 111.515 -176.155 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 6.4 m -84.82 -6.17 59.34 Favored 'General case' 0 CA--C 1.553 1.088 0 CA-C-O 121.495 0.665 . . . . 0.0 111.256 -176.01 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 57.7 t60 -77.8 124.99 28.66 Favored 'General case' 0 C--N 1.316 -0.883 0 N-CA-C 108.861 -0.792 . . . . 0.0 108.861 -179.327 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 45.0 m80 -56.53 -42.6 78.75 Favored 'General case' 0 N--CA 1.483 1.216 0 N-CA-C 112.918 0.71 . . . . 0.0 112.918 -173.952 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 29.7 mtpp -60.36 -40.0 89.21 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.581 -0.282 . . . . 0.0 111.073 179.389 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.401 ' HA ' ' CD2' ' A' ' 34' ' ' PHE . 94.9 t -64.4 -39.0 84.01 Favored 'Isoleucine or valine' 0 C--O 1.247 0.95 0 CA-C-O 121.007 0.432 . . . . 0.0 110.101 179.909 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . 0.507 ' O ' ' HG2' ' A' ' 36' ' ' GLN . 70.3 mt -60.95 -44.87 98.95 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.654 0 N-CA-C 109.142 -0.688 . . . . 0.0 109.142 176.157 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 22.7 t -63.35 -37.81 88.71 Favored 'General case' 0 CA--C 1.546 0.82 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.05 179.522 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . 0.486 ' CE2' HD12 ' A' ' 20' ' ' LEU . 16.3 m-85 -67.29 -35.9 80.43 Favored 'General case' 0 N--CA 1.471 0.616 0 CA-C-O 121.374 0.607 . . . . 0.0 109.876 178.695 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 31.4 m -66.84 -33.56 75.88 Favored 'General case' 0 C--N 1.317 -0.82 0 CA-C-N 115.426 -0.806 . . . . 0.0 110.07 178.272 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . 0.507 ' HG2' ' O ' ' A' ' 32' ' ' ILE . 27.7 mm-40 -67.1 -39.05 86.65 Favored 'General case' 0 C--O 1.225 -0.229 0 N-CA-C 109.097 -0.705 . . . . 0.0 109.097 176.703 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 49.4 mt-10 -59.84 -47.93 83.72 Favored 'General case' 0 CA--C 1.512 -0.511 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.112 178.101 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 1.5 tm? -58.43 -46.59 86.19 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.406 -0.815 . . . . 0.0 109.574 -177.421 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 17.1 t70 -61.79 -44.28 97.19 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.841 -0.618 . . . . 0.0 111.683 178.944 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -67.98 -37.83 81.97 Favored 'General case' 0 C--N 1.313 -0.984 0 N-CA-C 112.351 0.5 . . . . 0.0 112.351 -177.975 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 11.0 mp -66.81 -36.77 83.14 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 120.783 0.325 . . . . 0.0 110.679 175.253 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 50.7 tp -66.31 -35.83 81.37 Favored 'General case' 0 C--O 1.239 0.5 0 CA-C-O 121.387 0.613 . . . . 0.0 109.846 177.995 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 19.3 m-80 -67.2 -17.78 64.97 Favored 'General case' 0 CA--C 1.503 -0.862 0 CA-C-N 115.581 -0.736 . . . . 0.0 112.338 178.163 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 96.0 mt -66.2 -35.07 79.47 Favored 'General case' 0 C--N 1.32 -0.693 0 N-CA-C 110.263 -0.273 . . . . 0.0 110.263 177.782 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.468 HD23 ' HB2' ' A' ' 7' ' ' ASN . 7.7 mp -73.25 -41.66 63.43 Favored 'General case' 0 CA--C 1.507 -0.692 0 CA-C-O 121.414 0.626 . . . . 0.0 109.579 175.222 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 65.4 mt -60.76 -29.8 45.85 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.762 0 CA-C-N 114.931 -1.031 . . . . 0.0 109.981 179.582 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 9.0 tp10 . . . . . 0 CA--C 1.54 0.592 0 C-N-CA 123.919 0.888 . . . . 0.0 110.85 178.934 . . . . . . . . 0 0 . 1 . 023 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 31.1 m . . . . . 0 C--O 1.234 0.242 0 N-CA-C 112.783 0.661 . . . . 0.0 112.783 . . . . . . . . . 0 0 . 1 . 023 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 9.9 t -65.19 -41.72 94.29 Favored 'General case' 0 N--CA 1.44 -0.972 0 C-N-CA 120.683 -0.407 . . . . 0.0 111.639 -179.84 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . 0.496 ' HZ2' ' HB3' ' A' ' 5' ' ' LYS . 0.3 OUTLIER -78.13 -28.28 48.46 Favored 'General case' 0 N--CA 1.443 -0.801 0 C-N-CA 119.547 -0.861 . . . . 0.0 110.408 178.517 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.551 ' O ' HG13 ' A' ' 10' ' ' ILE . 56.0 tp -60.22 -52.19 66.34 Favored 'General case' 0 C--O 1.224 -0.254 0 N-CA-C 109.065 -0.717 . . . . 0.0 109.065 176.361 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 7' ' ' ASN . . . . . 0.4 HD21 ' C ' ' A' ' 7' ' ' ASN . 0.2 OUTLIER -62.26 -40.57 96.66 Favored 'General case' 0 C--O 1.24 0.564 0 CA-C-N 115.657 -0.701 . . . . 0.0 109.312 179.732 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 32.6 t70 -59.88 -47.19 86.76 Favored 'General case' 0 C--N 1.312 -1.028 0 CA-C-N 115.56 -0.745 . . . . 0.0 112.207 179.698 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . 0.48 ' HG3' ' O ' ' A' ' 5' ' ' LYS . 83.5 mtp180 -63.36 -35.05 79.11 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 120.963 0.411 . . . . 0.0 110.848 179.369 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . 0.551 HG13 ' O ' ' A' ' 6' ' ' LEU . 70.7 mt -64.0 -48.88 84.05 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.684 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.29 178.622 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 50.1 mt-10 -64.4 -31.55 72.8 Favored 'General case' 0 C--O 1.239 0.502 0 CA-C-O 120.835 0.35 . . . . 0.0 111.851 179.021 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -67.29 -37.09 82.84 Favored 'General case' 0 C--N 1.316 -0.859 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.503 176.804 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 83.5 mttt -77.3 -31.69 54.9 Favored 'General case' 0 CA--C 1.503 -0.83 0 C-N-CA 120.071 -0.652 . . . . 0.0 110.414 179.264 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.483 ' O ' HG13 ' A' ' 18' ' ' ILE . 55.0 mttm -60.2 -45.95 91.4 Favored 'General case' 0 C--N 1.317 -0.823 0 CA-C-N 115.764 -0.653 . . . . 0.0 110.93 175.435 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.95 -29.55 66.7 Favored 'General case' 0 N--CA 1.444 -0.728 0 C-N-CA 120.537 -0.465 . . . . 0.0 110.895 179.917 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . 0.601 ' O ' ' HG ' ' A' ' 20' ' ' LEU . 16.6 tp10 -66.29 -45.04 81.78 Favored 'General case' 0 C--O 1.223 -0.301 0 N-CA-C 107.554 -1.276 . . . . 0.0 107.554 177.009 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.459 ' O ' HG21 ' A' ' 21' ' ' VAL . 34.1 tp -64.15 -40.39 96.06 Favored 'General case' 0 N--CA 1.438 -1.072 0 CA-C-N 114.871 -1.059 . . . . 0.0 110.433 179.39 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . 0.51 ' O ' ' HG3' ' A' ' 22' ' ' GLU . 78.6 mt -58.98 -47.67 89.06 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.722 0 N-CA-C 109.771 -0.455 . . . . 0.0 109.771 176.395 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 55.2 t80 -53.58 -44.03 69.01 Favored 'General case' 0 C--O 1.244 0.8 0 C-N-CA 123.985 0.914 . . . . 0.0 109.857 177.323 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.601 ' HG ' ' O ' ' A' ' 16' ' ' GLU . 79.3 mt -65.94 -44.11 86.03 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 115.226 -0.897 . . . . 0.0 110.75 179.684 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . 0.459 HG21 ' O ' ' A' ' 17' ' ' LEU . 84.9 t -64.02 -38.61 82.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 CA-C-N 116.508 -0.314 . . . . 0.0 110.457 179.406 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . 0.51 ' HG3' ' O ' ' A' ' 18' ' ' ILE . 48.6 mt-10 -63.8 -50.85 67.34 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-O 121.032 0.444 . . . . 0.0 110.576 177.86 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 31.0 mmmt -80.1 -48.2 13.61 Favored 'General case' 0 C--N 1.315 -0.915 0 N-CA-C 114.292 1.219 . . . . 0.0 114.292 -173.455 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 57.8 m-85 -97.83 -43.21 7.22 Favored 'General case' 0 C--N 1.297 -1.688 0 CA-C-O 121.388 0.613 . . . . 0.0 110.379 -174.459 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 120.39 -166.44 13.72 Favored Glycine 0 N--CA 1.431 -1.665 0 N-CA-C 109.643 -1.383 . . . . 0.0 109.643 -176.166 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 41.7 p90 -115.2 1.86 13.94 Favored 'General case' 0 C--N 1.304 -1.375 0 CA-C-O 121.317 0.58 . . . . 0.0 111.715 -178.74 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 21.1 m -97.72 -2.88 40.28 Favored 'General case' 0 C--N 1.309 -1.158 0 CA-C-O 122.472 1.129 . . . . 0.0 108.825 178.471 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 49.8 t60 -78.68 128.45 33.47 Favored 'General case' 0 N--CA 1.439 -1.021 0 CA-C-N 114.535 -1.211 . . . . 0.0 108.612 -179.187 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 13.7 t-80 -53.47 -48.44 68.89 Favored 'General case' 0 N--CA 1.472 0.663 0 N-CA-C 114.18 1.178 . . . . 0.0 114.18 -171.073 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 22.1 pttm -66.84 -27.04 67.23 Favored 'General case' 0 C--O 1.216 -0.668 0 C-N-CA 119.246 -0.982 . . . . 0.0 112.904 -179.435 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.401 HG21 ' HB3' ' A' ' 20' ' ' LEU . 59.4 t -67.98 -41.71 84.84 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.897 0 N-CA-C 109.025 -0.731 . . . . 0.0 109.025 178.697 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 66.3 mt -66.4 -36.31 77.04 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.646 0 N-CA-C 108.918 -0.771 . . . . 0.0 108.918 176.92 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 22.6 t -60.84 -46.28 91.18 Favored 'General case' 0 N--CA 1.44 -0.966 0 CA-C-N 115.462 -0.79 . . . . 0.0 110.253 178.402 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 70.6 m-85 -66.53 -30.57 70.91 Favored 'General case' 0 CA--C 1.516 -0.354 0 N-CA-C 111.799 0.296 . . . . 0.0 111.799 177.792 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 23.0 t -61.6 -35.66 78.5 Favored 'General case' 0 C--O 1.244 0.772 0 N-CA-C 109.657 -0.497 . . . . 0.0 109.657 179.153 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 79.8 mm-40 -64.34 -41.13 96.94 Favored 'General case' 0 N--CA 1.465 0.316 0 CA-C-O 121.408 0.623 . . . . 0.0 109.559 175.922 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 28.0 mm-40 -64.36 -43.85 93.28 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.363 -0.835 . . . . 0.0 111.007 -179.926 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.54 ' O ' ' HG ' ' A' ' 42' ' ' LEU . 4.3 mm? -62.81 -40.36 97.14 Favored 'General case' 0 CA--C 1.51 -0.591 0 CA-C-N 115.991 -0.55 . . . . 0.0 111.134 176.663 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 16.8 t70 -57.86 -44.92 86.91 Favored 'General case' 0 N--CA 1.473 0.71 0 CA-C-O 121.511 0.672 . . . . 0.0 109.935 177.235 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 98.2 mtt180 -60.04 -43.24 95.47 Favored 'General case' 0 C--N 1.316 -0.853 0 CA-C-N 115.125 -0.943 . . . . 0.0 111.529 177.075 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.509 ' HB3' HG12 ' A' ' 10' ' ' ILE . 98.1 mt -69.17 -38.81 78.9 Favored 'General case' 0 C--N 1.318 -0.804 0 CA-C-N 116.042 -0.526 . . . . 0.0 111.361 179.328 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.54 ' HG ' ' O ' ' A' ' 38' ' ' LEU . 95.9 mt -60.55 -35.28 75.65 Favored 'General case' 0 C--N 1.317 -0.825 0 CA-C-O 121.191 0.52 . . . . 0.0 110.298 175.743 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 24.2 m-80 -68.64 -18.34 64.28 Favored 'General case' 0 C--N 1.314 -0.951 0 CA-C-N 115.772 -0.649 . . . . 0.0 112.087 176.437 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.504 ' O ' ' HB2' ' A' ' 47' ' ' GLU . 97.5 mt -75.33 -40.64 58.12 Favored 'General case' 0 C--O 1.214 -0.806 0 N-CA-C 108.585 -0.894 . . . . 0.0 108.585 175.296 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 91.8 mt -62.59 -38.46 90.23 Favored 'General case' 0 C--O 1.239 0.55 0 CA-C-O 120.971 0.415 . . . . 0.0 110.024 174.828 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 70.4 mt -57.45 -38.81 65.12 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.277 0 CA-C-N 115.651 -0.704 . . . . 0.0 110.514 176.484 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . 0.504 ' HB2' ' O ' ' A' ' 44' ' ' LEU . 37.0 mm-40 . . . . . 0 C--N 1.32 -0.705 0 CA-C-N 115.994 -0.548 . . . . 0.0 112.264 177.575 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 30.7 m . . . . . 0 C--O 1.225 -0.23 0 N-CA-C 112.812 0.671 . . . . 0.0 112.812 . . . . . . . . . 0 0 . 1 . 024 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 14.3 t -66.19 -31.59 72.52 Favored 'General case' 0 CA--C 1.549 0.913 0 CA-C-O 121.164 0.507 . . . . 0.0 110.056 178.433 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 34.7 mmtp -78.43 -34.56 47.8 Favored 'General case' 0 CA--C 1.51 -0.565 0 CA-C-O 121.223 0.535 . . . . 0.0 109.79 179.973 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 31.9 tp -69.25 -39.94 78.15 Favored 'General case' 0 C--N 1.316 -0.864 0 N-CA-C 108.854 -0.795 . . . . 0.0 108.854 177.38 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 3.5 t-20 -66.02 -37.09 85.02 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.68 -0.691 . . . . 0.0 110.124 177.352 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 13.6 t70 -59.45 -39.89 85.07 Favored 'General case' 0 N--CA 1.474 0.755 0 CA-C-O 121.209 0.528 . . . . 0.0 109.744 175.948 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . 0.579 ' O ' ' HG2' ' A' ' 13' ' ' LYS . 81.3 mtp180 -64.32 -38.51 91.3 Favored 'General case' 0 C--O 1.215 -0.732 0 CA-C-N 115.582 -0.736 . . . . 0.0 110.551 176.966 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 77.5 mt -61.29 -45.18 99.12 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.643 0 CA-C-O 121.435 0.636 . . . . 0.0 109.378 176.081 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 35.9 tt0 -62.36 -39.1 92.05 Favored 'General case' 0 C--N 1.313 -1.015 0 CA-C-N 115.234 -0.894 . . . . 0.0 109.726 178.81 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -66.21 -26.75 67.53 Favored 'General case' 0 C--N 1.31 -1.148 0 CA-C-N 115.397 -0.82 . . . . 0.0 110.976 177.252 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . 0.579 ' HG2' ' O ' ' A' ' 9' ' ' ARG . 74.4 mmtt -77.06 -33.86 57.13 Favored 'General case' 0 CA--C 1.504 -0.817 0 N-CA-C 108.901 -0.777 . . . . 0.0 108.901 178.207 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 72.0 mmtt -57.84 -53.77 54.41 Favored 'General case' 0 CA--C 1.513 -0.443 0 N-CA-C 108.377 -0.971 . . . . 0.0 108.377 176.303 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 32.0 mmmt -64.33 -35.56 81.25 Favored 'General case' 0 C--N 1.313 -1.02 0 CA-C-N 114.164 -1.38 . . . . 0.0 111.931 -176.884 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . 0.421 ' O ' ' HG ' ' A' ' 20' ' ' LEU . 4.1 tp10 -76.54 -47.38 22.86 Favored 'General case' 0 C--N 1.309 -1.168 0 CA-C-N 116.274 -0.421 . . . . 0.0 109.953 -176.734 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.481 ' O ' HG22 ' A' ' 21' ' ' VAL . 50.4 tp -62.51 -50.26 72.09 Favored 'General case' 0 N--CA 1.443 -0.788 0 CA-C-N 115.732 -0.667 . . . . 0.0 111.462 -176.844 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . 0.506 ' O ' ' HG3' ' A' ' 22' ' ' GLU . 74.2 mt -59.47 -42.96 89.5 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.187 0 O-C-N 123.3 0.375 . . . . 0.0 110.082 -178.798 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 77.3 t80 -57.92 -42.47 84.88 Favored 'General case' 0 C--O 1.246 0.871 0 C-N-CA 123.669 0.788 . . . . 0.0 110.482 179.526 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.421 ' HG ' ' O ' ' A' ' 16' ' ' GLU . 81.1 mt -74.42 -32.81 62.8 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.378 179.439 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . 0.481 HG22 ' O ' ' A' ' 17' ' ' LEU . 92.7 t -66.28 -34.19 68.5 Favored 'Isoleucine or valine' 0 C--O 1.24 0.57 0 CA-C-O 121.005 0.431 . . . . 0.0 110.088 176.743 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . 0.506 ' HG3' ' O ' ' A' ' 18' ' ' ILE . 34.6 mt-10 -68.6 -48.0 65.27 Favored 'General case' 0 C--N 1.318 -0.776 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.846 177.323 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 67.6 mttm -82.19 -47.9 11.94 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 114.029 1.122 . . . . 0.0 114.029 -175.912 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 95.9 m-85 -100.18 -45.03 5.76 Favored 'General case' 0 C--N 1.304 -1.385 0 CA-C-O 121.109 0.48 . . . . 0.0 110.497 -176.456 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 100.68 155.42 27.36 Favored Glycine 0 C--N 1.298 -1.537 0 CA-C-N 115.386 -0.825 . . . . 0.0 111.565 -177.138 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 49.8 t80 -83.22 81.02 8.88 Favored 'General case' 0 C--N 1.308 -1.207 0 N-CA-C 108.693 -0.854 . . . . 0.0 108.693 -179.036 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 27.7 m -133.79 -60.55 0.82 Allowed 'General case' 0 C--N 1.303 -1.417 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.351 -179.197 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 28' ' ' HIS . . . . . 0.416 ' CD2' ' HB3' ' A' ' 30' ' ' LYS . 3.1 p-80 -74.23 154.7 38.89 Favored 'General case' 0 C--O 1.254 1.294 0 C-N-CA 120.594 -0.442 . . . . 0.0 111.514 179.648 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 72.3 m80 -62.18 -22.48 65.93 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 114.543 1.312 . . . . 0.0 114.543 -173.156 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.416 ' HB3' ' CD2' ' A' ' 28' ' ' HIS . 24.6 ttpp -61.1 -47.56 85.74 Favored 'General case' 0 C--N 1.323 -0.546 0 C-N-CA 120.592 -0.443 . . . . 0.0 111.133 175.17 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 58.9 t -67.4 -35.57 73.94 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.626 0 N-CA-C 109.025 -0.731 . . . . 0.0 109.025 179.101 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 57.9 mt -64.18 -37.12 79.07 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.039 0 CA-C-N 115.566 -0.743 . . . . 0.0 110.766 178.352 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 88.0 p -64.13 -36.03 82.69 Favored 'General case' 0 C--N 1.341 0.236 0 O-C-N 122.24 -0.288 . . . . 0.0 111.37 179.906 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 71.1 m-85 -63.76 -38.01 89.5 Favored 'General case' 0 CA--C 1.508 -0.654 0 C-N-CA 120.854 -0.338 . . . . 0.0 110.842 177.041 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 32.9 t -65.47 -40.69 93.46 Favored 'General case' 0 N--CA 1.44 -0.932 0 CA-C-N 116.124 -0.489 . . . . 0.0 109.834 179.032 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 45.4 mt-30 -69.81 -32.66 71.23 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.658 179.25 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 42.6 tt0 -72.26 -43.75 63.84 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.907 -0.588 . . . . 0.0 109.955 179.096 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.403 HD22 ' HB2' ' A' ' 13' ' ' LYS . 2.8 tm? -53.37 -51.6 61.96 Favored 'General case' 0 N--CA 1.473 0.718 0 C-N-CA 123.809 0.843 . . . . 0.0 108.739 175.199 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 17.7 t70 -60.09 -42.37 94.49 Favored 'General case' 0 C--N 1.311 -1.1 0 CA-C-N 114.259 -1.337 . . . . 0.0 111.686 179.265 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 32.8 ttt180 -72.15 -39.84 68.44 Favored 'General case' 0 C--N 1.314 -0.968 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.729 -175.902 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 10.8 mp -66.06 -32.85 74.55 Favored 'General case' 0 CA--C 1.515 -0.384 0 CA-C-O 120.771 0.319 . . . . 0.0 111.155 177.675 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 6.4 tt -67.18 -39.84 86.48 Favored 'General case' 0 C--N 1.319 -0.735 0 N-CA-C 108.25 -1.018 . . . . 0.0 108.25 176.845 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 18.9 m-80 -66.94 -23.43 65.96 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.658 -0.701 . . . . 0.0 112.55 177.808 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 87.7 mt -63.35 -39.05 93.47 Favored 'General case' 0 C--O 1.242 0.662 0 CA-C-O 120.562 0.22 . . . . 0.0 111.079 178.379 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 8.0 mp -68.98 -42.01 77.13 Favored 'General case' 0 CA--C 1.514 -0.42 0 N-CA-C 109.747 -0.464 . . . . 0.0 109.747 177.452 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 69.2 mt -59.16 -43.23 88.98 Favored 'Isoleucine or valine' 0 C--O 1.245 0.85 0 CA-C-N 115.595 -0.73 . . . . 0.0 109.621 178.668 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 29.5 tt0 . . . . . 0 N--CA 1.442 -0.841 0 CA-C-N 115.539 -0.755 . . . . 0.0 110.241 178.341 . . . . . . . . 0 0 . 1 . 025 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 27.8 m . . . . . 0 N--CA 1.482 1.14 0 N-CA-C 113.144 0.794 . . . . 0.0 113.144 . . . . . . . . . 0 0 . 1 . 025 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 14.1 t -63.09 -31.0 72.04 Favored 'General case' 0 N--CA 1.44 -0.974 0 CA-C-N 116.693 -0.231 . . . . 0.0 111.251 -179.964 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . 0.45 ' HB2' ' HZ3' ' A' ' 5' ' ' LYS . 0.0 OUTLIER -70.46 -27.46 64.25 Favored 'General case' 0 C--N 1.348 0.517 0 CA-C-O 121.203 0.525 . . . . 0.0 109.845 -179.06 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.572 ' O ' ' HG2' ' A' ' 9' ' ' ARG . 47.9 tp -68.32 -46.35 70.49 Favored 'General case' 0 N--CA 1.437 -1.117 0 N-CA-C 109.346 -0.613 . . . . 0.0 109.346 178.443 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 52.0 t30 -67.59 -36.2 80.43 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-O 121.405 0.622 . . . . 0.0 109.475 178.482 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 9.5 t70 -55.3 -43.55 74.91 Favored 'General case' 0 C--O 1.244 0.786 0 CA-C-N 115.245 -0.889 . . . . 0.0 111.679 176.55 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . 0.572 ' HG2' ' O ' ' A' ' 6' ' ' LEU . 9.7 ptp180 -70.89 -29.47 65.56 Favored 'General case' 0 C--N 1.339 0.142 0 C-N-CA 120.237 -0.585 . . . . 0.0 110.059 -178.635 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . 0.451 HG13 ' O ' ' A' ' 6' ' ' LEU . 71.5 mt -70.1 -46.73 71.59 Favored 'Isoleucine or valine' 0 CA--C 1.505 -0.769 0 N-CA-C 109.163 -0.68 . . . . 0.0 109.163 179.273 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 27.3 tt0 -59.81 -38.92 83.31 Favored 'General case' 0 C--O 1.245 0.821 0 CA-C-O 121.451 0.643 . . . . 0.0 110.279 -179.163 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -72.37 -33.65 67.38 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 115.426 -0.806 . . . . 0.0 111.043 178.863 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 47.8 tptt -76.88 -39.38 51.23 Favored 'General case' 0 C--N 1.31 -1.136 0 C-N-CA 120.562 -0.455 . . . . 0.0 110.163 -177.788 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.414 ' O ' HG13 ' A' ' 18' ' ' ILE . 18.1 ptmt -69.94 -32.03 70.09 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-N 116.409 -0.36 . . . . 0.0 111.747 -179.838 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 22.7 ptmt -70.78 -33.59 70.91 Favored 'General case' 0 N--CA 1.454 -0.255 0 C-N-CA 119.537 -0.865 . . . . 0.0 110.604 176.343 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 39.4 tt0 -65.64 -41.0 93.1 Favored 'General case' 0 C--O 1.239 0.519 0 CA-C-N 115.809 -0.632 . . . . 0.0 109.447 176.557 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.452 ' O ' HG21 ' A' ' 21' ' ' VAL . 61.5 tp -59.93 -52.36 65.74 Favored 'General case' 0 C--O 1.211 -0.93 0 CA-C-N 115.586 -0.734 . . . . 0.0 110.455 178.24 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . 0.414 HG13 ' O ' ' A' ' 14' ' ' LYS . 91.2 mt -54.85 -43.79 69.33 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.968 0 C-N-CA 123.141 0.576 . . . . 0.0 110.883 -179.259 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 80.9 t80 -56.93 -49.0 76.97 Favored 'General case' 0 C--O 1.251 1.155 0 C-N-CA 124.05 0.94 . . . . 0.0 110.111 177.933 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 92.6 mt -72.86 -30.96 64.39 Favored 'General case' 0 C--N 1.314 -0.973 0 CA-C-N 115.352 -0.84 . . . . 0.0 111.372 -178.893 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . 0.452 HG21 ' O ' ' A' ' 17' ' ' LEU . 52.4 t -59.09 -43.71 89.85 Favored 'Isoleucine or valine' 0 C--O 1.242 0.687 0 C-N-CA 122.754 0.421 . . . . 0.0 110.719 175.686 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 38.9 mt-10 -62.88 -42.63 99.84 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.441 -0.345 . . . . 0.0 110.548 179.27 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 66.2 mttm -82.73 -47.77 11.6 Favored 'General case' 0 C--N 1.316 -0.859 0 N-CA-C 114.193 1.183 . . . . 0.0 114.193 -175.382 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 99.1 m-85 -99.48 -26.47 14.1 Favored 'General case' 0 C--N 1.313 -0.983 0 N-CA-C 114.249 1.203 . . . . 0.0 114.249 -171.177 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . 0.428 ' O ' ' HA ' ' A' ' 21' ' ' VAL . . . 140.4 171.93 12.66 Favored Glycine 0 N--CA 1.434 -1.451 0 C-N-CA 119.041 -1.552 . . . . 0.0 112.849 178.119 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 79.5 m-85 -86.58 -23.46 25.77 Favored 'General case' 0 C--N 1.306 -1.317 0 CA-C-O 121.186 0.517 . . . . 0.0 109.91 -177.643 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 5.9 t -150.43 103.44 3.14 Favored 'General case' 0 N--CA 1.411 -2.406 0 CA-C-O 122.333 1.064 . . . . 0.0 108.601 179.921 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 83.8 t60 -148.05 158.5 44.1 Favored 'General case' 0 C--N 1.289 -2.065 0 N-CA-C 106.704 -1.591 . . . . 0.0 106.704 -179.026 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 98.1 m-70 -48.21 -50.21 30.11 Favored 'General case' 0 N--CA 1.49 1.571 0 C-N-CA 123.688 0.795 . . . . 0.0 112.187 -177.09 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 48.5 mmtm -57.68 -55.52 33.77 Favored 'General case' 0 N--CA 1.466 0.37 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.101 177.772 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 96.5 t -54.97 -47.77 76.17 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.65 0 CA-C-N 114.777 -1.101 . . . . 0.0 111.535 -176.923 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 81.0 mt -61.8 -41.58 91.19 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 C-N-CA 122.314 0.246 . . . . 0.0 110.74 -179.64 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 45.0 m -61.72 -37.59 84.77 Favored 'General case' 0 CA--C 1.551 0.995 0 CA-C-O 121.199 0.523 . . . . 0.0 111.236 -179.716 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 45.3 m-85 -76.91 -31.88 57.02 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.891 0.377 . . . . 0.0 110.621 178.348 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 43.3 m -67.92 -42.26 81.35 Favored 'General case' 0 C--N 1.318 -0.785 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.512 179.766 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 13.5 mm-40 -66.78 -28.65 68.56 Favored 'General case' 0 C--O 1.239 0.532 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.465 178.954 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . 0.554 ' O ' ' HG ' ' A' ' 41' ' ' LEU . 7.4 tp10 -67.45 -43.89 80.0 Favored 'General case' 0 N--CA 1.433 -1.312 0 N-CA-C 108.329 -0.989 . . . . 0.0 108.329 177.028 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 63.7 mt -62.64 -41.83 99.26 Favored 'General case' 0 CA--C 1.495 -1.136 0 CA-C-N 115.966 -0.561 . . . . 0.0 111.591 177.531 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 17.2 t70 -57.82 -43.16 85.55 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-O 121.503 0.668 . . . . 0.0 109.363 178.108 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . 0.413 ' HD3' ' OE2' ' A' ' 37' ' ' GLU . 42.8 ttt180 -65.9 -47.01 76.23 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 114.531 -1.213 . . . . 0.0 110.831 178.391 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.554 ' HG ' ' O ' ' A' ' 37' ' ' GLU . 80.5 mt -66.7 -41.03 88.66 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 120.774 0.321 . . . . 0.0 110.857 -179.013 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 49.4 tp -60.46 -34.28 73.79 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 121.286 0.565 . . . . 0.0 109.93 175.167 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 8.8 t-20 -68.5 -27.59 66.26 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-N 115.652 -0.703 . . . . 0.0 109.933 -178.702 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 84.4 mt -67.55 -31.55 71.71 Favored 'General case' 0 C--N 1.315 -0.92 0 CA-C-N 115.786 -0.643 . . . . 0.0 109.737 177.329 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 87.1 mt -71.8 -32.65 67.83 Favored 'General case' 0 C--O 1.237 0.396 0 N-CA-C 109.047 -0.723 . . . . 0.0 109.047 174.359 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 75.4 mt -67.36 -26.21 35.42 Favored 'Isoleucine or valine' 0 C--O 1.243 0.748 0 CA-C-N 115.65 -0.705 . . . . 0.0 109.734 176.897 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 7.5 tp10 . . . . . 0 C--N 1.316 -0.869 0 N-CA-C 108.765 -0.828 . . . . 0.0 108.765 175.632 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.512 ' HA ' ' O ' ' A' ' 58' ' ' LEU . 25.9 ptm . . . . . 0 N--CA 1.472 0.652 0 N-CA-C 111.832 0.308 . . . . 0.0 111.832 . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . 0.516 ' OD1' HG23 ' A' ' 4' ' ' THR . 26.6 t-20 -127.53 131.71 50.03 Favored 'General case' 0 N--CA 1.438 -1.074 0 N-CA-C 110.006 -0.368 . . . . 0.0 110.006 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 35.0 m -69.76 -31.55 48.88 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.667 0 N-CA-C 114.177 1.177 . . . . 0.0 114.177 -175.339 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' THR . . . . . 0.516 HG23 ' OD1' ' A' ' 2' ' ' ASN . 2.6 t -77.66 -27.2 50.88 Favored 'General case' 0 C--O 1.235 0.325 0 C-N-CA 118.502 -1.279 . . . . 0.0 109.301 -178.114 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . 0.52 ' O ' ' HD3' ' A' ' 9' ' ' ARG . 35.8 mmtp -69.38 -41.12 76.94 Favored 'General case' 0 N--CA 1.452 -0.354 0 N-CA-C 108.454 -0.943 . . . . 0.0 108.454 174.074 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.531 ' O ' HG13 ' A' ' 10' ' ' ILE . 46.9 tp -59.17 -50.48 73.89 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.503 -0.772 . . . . 0.0 109.14 177.227 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 26.6 t-20 -54.98 -39.94 69.52 Favored 'General case' 0 N--CA 1.474 0.751 0 CA-C-N 115.584 -0.734 . . . . 0.0 110.909 178.174 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 19.2 t70 -65.39 -47.23 77.05 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.324 -0.853 . . . . 0.0 111.545 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . 0.52 ' HD3' ' O ' ' A' ' 5' ' ' LYS . 7.6 mpt_? -63.5 -28.28 69.84 Favored 'General case' 0 C--N 1.316 -0.867 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.635 178.199 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.531 HG13 ' O ' ' A' ' 6' ' ' LEU . 74.3 mt -71.1 -45.73 70.42 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.746 0 N-CA-C 108.524 -0.917 . . . . 0.0 108.524 174.406 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . 0.425 ' HA ' ' HD2' ' A' ' 14' ' ' LYS . 41.7 tt0 -57.99 -47.06 84.11 Favored 'General case' 0 C--N 1.322 -0.63 0 C-N-CA 124.207 1.003 . . . . 0.0 110.657 -178.913 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -65.4 -33.46 76.01 Favored 'General case' 0 C--N 1.313 -0.987 0 CA-C-N 115.442 -0.799 . . . . 0.0 111.245 178.752 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 3.5 tppp? -76.13 -37.01 58.55 Favored 'General case' 0 N--CA 1.446 -0.649 0 N-CA-C 109.285 -0.635 . . . . 0.0 109.285 -176.814 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.57 ' O ' HG13 ' A' ' 18' ' ' ILE . 94.3 mttt -53.08 -52.75 57.59 Favored 'General case' 0 N--CA 1.464 0.274 0 O-C-N 123.366 0.416 . . . . 0.0 110.108 171.006 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 32.1 mmmt -62.27 -40.59 96.73 Favored 'General case' 0 C--O 1.245 0.841 0 CA-C-N 115.893 -0.594 . . . . 0.0 111.917 -178.775 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . 0.44 ' O ' ' HG ' ' A' ' 20' ' ' LEU . 39.6 tt0 -63.7 -43.87 95.34 Favored 'General case' 0 C--N 1.316 -0.876 0 CA-C-N 115.92 -0.582 . . . . 0.0 109.688 178.083 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.507 ' O ' HG21 ' A' ' 21' ' ' VAL . 2.0 tm? -60.48 -46.03 91.6 Favored 'General case' 0 CA--C 1.538 0.502 0 CA-C-N 115.447 -0.797 . . . . 0.0 109.303 179.922 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . 0.57 HG13 ' O ' ' A' ' 14' ' ' LYS . 71.3 mt -56.32 -44.37 79.58 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.164 0 CA-C-O 121.274 0.559 . . . . 0.0 110.444 179.122 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 84.6 t80 -61.82 -39.78 92.98 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-N 115.473 -0.785 . . . . 0.0 110.41 -179.911 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.44 ' HG ' ' O ' ' A' ' 16' ' ' GLU . 88.3 mt -71.94 -31.33 66.22 Favored 'General case' 0 C--N 1.31 -1.122 0 CA-C-N 115.651 -0.704 . . . . 0.0 111.567 -179.154 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.507 HG21 ' O ' ' A' ' 17' ' ' LEU . 73.6 t -63.36 -36.04 74.61 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.56 0 N-CA-C 109.428 -0.582 . . . . 0.0 109.428 176.47 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 15.3 mm-40 -68.09 -43.63 78.07 Favored 'General case' 0 C--N 1.309 -1.185 0 CA-C-N 115.696 -0.684 . . . . 0.0 111.246 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 54.0 mttp -82.9 -38.58 22.68 Favored 'General case' 0 C--N 1.32 -0.706 0 N-CA-C 115.255 1.576 . . . . 0.0 115.255 -179.583 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 97.4 m-85 -107.26 -38.52 5.95 Favored 'General case' 0 C--N 1.309 -1.176 0 N-CA-C 112.972 0.73 . . . . 0.0 112.972 -174.107 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 106.59 154.39 20.36 Favored Glycine 0 C--N 1.299 -1.475 0 N-CA-C 109.714 -1.354 . . . . 0.0 109.714 -175.808 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 52.9 t80 -75.96 -16.57 59.98 Favored 'General case' 0 C--N 1.308 -1.238 0 CA-C-O 121.317 0.579 . . . . 0.0 111.338 -175.472 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 4.2 m -86.37 -1.67 57.74 Favored 'General case' 0 CA--C 1.553 1.084 0 CA-C-O 121.749 0.785 . . . . 0.0 110.067 -179.721 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 86.7 t60 -78.56 136.35 37.52 Favored 'General case' 0 N--CA 1.439 -0.992 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.353 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 28.7 m80 -49.2 -46.54 45.84 Favored 'General case' 0 N--CA 1.482 1.152 0 C-N-CA 124.898 1.279 . . . . 0.0 112.979 -175.178 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 68.2 mttm -65.29 -40.31 93.68 Favored 'General case' 0 C--O 1.215 -0.748 0 C-N-CA 121.066 -0.253 . . . . 0.0 111.023 -179.05 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 58.5 t -67.08 -38.52 81.39 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.021 0 N-CA-C 109.737 -0.468 . . . . 0.0 109.737 -179.337 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 74.7 mt -62.86 -49.69 82.66 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.646 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.011 176.035 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 10.3 p -64.84 -36.66 85.05 Favored 'General case' 0 CA--C 1.544 0.741 0 N-CA-C 112.611 0.597 . . . . 0.0 112.611 -179.409 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 25.2 m-85 -69.38 -32.62 71.77 Favored 'General case' 0 C--O 1.219 -0.539 0 C-N-CA 120.224 -0.59 . . . . 0.0 110.418 175.663 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 69.9 m -64.81 -36.96 86.01 Favored 'General case' 0 N--CA 1.45 -0.45 0 N-CA-C 110.338 -0.245 . . . . 0.0 110.338 176.219 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 92.4 mt-30 -66.74 -37.31 84.41 Favored 'General case' 0 N--CA 1.466 0.366 0 CA-C-O 121.571 0.701 . . . . 0.0 109.511 176.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 37.9 tt0 -68.76 -42.01 78.06 Favored 'General case' 0 C--N 1.317 -0.825 0 CA-C-N 115.239 -0.892 . . . . 0.0 110.092 179.242 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 32.3 tp -63.17 -41.52 99.25 Favored 'General case' 0 C--N 1.318 -0.802 0 N-CA-C 109.042 -0.725 . . . . 0.0 109.042 177.793 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 12.0 t70 -60.81 -40.25 91.98 Favored 'General case' 0 C--O 1.215 -0.752 0 CA-C-N 114.86 -1.063 . . . . 0.0 110.603 175.808 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 42.8 ttm180 -59.28 -46.55 88.24 Favored 'General case' 0 CA--C 1.537 0.448 0 C-N-CA 123.197 0.599 . . . . 0.0 111.35 179.174 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.4 ' HB3' HG12 ' A' ' 10' ' ' ILE . 9.5 mp -71.99 -34.03 68.59 Favored 'General case' 0 C--N 1.323 -0.585 0 C-N-CA 120.124 -0.63 . . . . 0.0 111.643 179.008 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 6.4 tt -64.76 -40.1 94.72 Favored 'General case' 0 C--N 1.32 -0.705 0 N-CA-C 108.096 -1.076 . . . . 0.0 108.096 177.149 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 27.4 t-20 -60.6 -38.8 85.84 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 114.883 -1.053 . . . . 0.0 110.754 176.61 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 76.1 mt -55.99 -40.74 73.79 Favored 'General case' 0 CA--C 1.513 -0.469 0 O-C-N 123.746 0.653 . . . . 0.0 111.572 178.463 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 90.5 mt -57.22 -48.54 78.56 Favored 'General case' 0 C--O 1.222 -0.364 0 N-CA-C 109.702 -0.481 . . . . 0.0 109.702 177.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 63.1 mt -69.44 -43.45 80.81 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.9 0 CA-C-N 115.481 -0.781 . . . . 0.0 110.576 -178.567 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . 0.539 ' O ' HG21 ' A' ' 50' ' ' THR . 39.5 tt0 -62.5 -50.69 70.41 Favored 'General case' 0 C--N 1.316 -0.852 0 CA-C-N 116.057 -0.519 . . . . 0.0 112.145 -176.829 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -70.65 -34.74 72.37 Favored 'General case' 0 C--N 1.303 -1.422 0 C-N-CA 119.239 -0.984 . . . . 0.0 112.183 -179.124 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 61.1 mttm -70.5 -29.52 66.06 Favored 'General case' 0 N--CA 1.467 0.379 0 N-CA-C 112.163 0.431 . . . . 0.0 112.163 177.738 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' THR . . . . . 0.539 HG21 ' O ' ' A' ' 47' ' ' GLU . 3.3 t -76.53 -21.33 55.86 Favored 'General case' 0 CA--C 1.547 0.86 0 C-N-CA 120.822 -0.351 . . . . 0.0 110.137 -179.095 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . 0.525 ' C ' ' H ' ' A' ' 53' ' ' LYS . 28.5 mtpp -90.06 -61.38 1.7 Allowed 'General case' 0 N--CA 1.419 -2.024 0 N-CA-C 107.402 -1.333 . . . . 0.0 107.402 176.491 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . 0.263 21.9 pttp 49.83 -23.42 0.0 OUTLIER 'General case' 0 N--CA 1.515 2.795 0 C-N-CA 128.488 2.715 . . . . 0.0 115.973 -177.287 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . 0.525 ' H ' ' C ' ' A' ' 51' ' ' LYS . 20.2 ptmt -86.07 12.95 8.45 Favored 'General case' 0 C--N 1.301 -1.523 0 C-N-CA 125.869 1.667 . . . . 0.0 111.327 -179.764 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 19.8 mmm180 -122.4 143.69 49.5 Favored 'General case' 0 C--N 1.281 -2.37 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.216 -177.855 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 85.6 m-85 -54.12 -28.55 40.41 Favored 'General case' 0 N--CA 1.473 0.68 0 O-C-N 124.09 0.868 . . . . 0.0 109.01 174.627 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 2.7 m -51.19 -24.6 4.39 Favored 'General case' 0 CA--C 1.548 0.892 0 C-N-CA 126.437 1.895 . . . . 0.0 112.111 177.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 58.8 tp -61.93 -28.16 69.34 Favored 'General case' 0 CA--C 1.542 0.669 0 CA-C-O 121.819 0.819 . . . . 0.0 108.949 177.546 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.512 ' O ' ' HA ' ' A' ' 1' ' ' MET . 4.0 mp -100.18 -58.81 1.83 Allowed 'General case' 0 N--CA 1.438 -1.058 0 N-CA-C 107.508 -1.293 . . . . 0.0 107.508 174.676 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 8.6 pt-20 -85.3 62.39 7.46 Favored 'General case' 0 C--O 1.249 1.061 0 CA-C-O 122.276 1.036 . . . . 0.0 113.37 -177.929 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 3.8 p-80 -87.39 -26.67 23.21 Favored 'General case' 0 C--N 1.315 -0.921 0 CA-C-N 114.248 -1.342 . . . . 0.0 109.766 175.847 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . 0.441 ' O ' ' HB3' ' A' ' 62' ' ' HIS . 38.0 m80 -146.26 126.05 13.5 Favored 'General case' 0 CA--C 1.486 -1.514 0 N-CA-C 102.402 -3.185 . . . . 0.0 102.402 175.276 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . 0.441 ' HB3' ' O ' ' A' ' 61' ' ' HIS . 23.1 t60 75.89 130.25 0.05 OUTLIER 'General case' 0 N--CA 1.477 0.913 0 O-C-N 124.656 1.222 . . . . 0.0 109.213 -172.903 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 30.2 p80 -112.11 158.34 19.73 Favored 'General case' 0 C--N 1.298 -1.658 0 CA-C-N 116.537 -0.301 . . . . 0.0 110.746 -177.215 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 51.6 m80 . . . . . 0 N--CA 1.416 -2.144 0 N-CA-C 106.994 -1.484 . . . . 0.0 106.994 176.656 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 49.5 tpp . . . . . 0 N--CA 1.452 -0.337 0 N-CA-C 110.667 -0.123 . . . . 0.0 110.667 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . 0.412 ' OD1' ' HB2' ' A' ' 5' ' ' LYS . 32.9 p30 -146.36 167.57 23.26 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 121.993 -0.442 . . . . 0.0 111.956 -176.902 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 34.4 m -73.67 -28.83 25.33 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.713 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.083 176.735 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 74.8 m -58.56 -54.73 43.8 Favored 'General case' 0 N--CA 1.431 -1.377 0 C-N-CA 123.926 0.89 . . . . 0.0 112.61 -175.628 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . 0.412 ' HB2' ' OD1' ' A' ' 2' ' ' ASN . 92.1 mttt -70.39 -28.15 64.85 Favored 'General case' 0 C--N 1.302 -1.468 0 CA-C-N 115.976 -0.556 . . . . 0.0 111.408 -178.385 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 44.9 tp -69.52 -46.66 66.0 Favored 'General case' 0 C--N 1.318 -0.801 0 N-CA-C 108.711 -0.848 . . . . 0.0 108.711 176.123 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . 0.402 ' O ' ' HB ' ' A' ' 10' ' ' ILE . 7.8 t30 -60.3 -34.71 74.16 Favored 'General case' 0 N--CA 1.466 0.363 0 CA-C-N 115.448 -0.797 . . . . 0.0 109.747 178.151 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 27.3 t70 -60.24 -32.35 71.06 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 115.409 -0.814 . . . . 0.0 111.35 176.594 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 64.0 mtp180 -65.52 -42.23 92.23 Favored 'General case' 0 N--CA 1.471 0.625 0 N-CA-C 109.021 -0.733 . . . . 0.0 109.021 174.401 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.57 ' O ' ' HG2' ' A' ' 14' ' ' LYS . 1.7 mp -57.85 -49.34 81.36 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.209 0 CA-C-N 115.237 -0.892 . . . . 0.0 109.848 177.555 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . 0.58 ' O ' ' HG2' ' A' ' 15' ' ' LYS . 47.0 mt-10 -64.7 -29.52 70.52 Favored 'General case' 0 C--N 1.319 -0.752 0 N-CA-C 113.116 0.784 . . . . 0.0 113.116 -176.941 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -66.7 -34.41 77.79 Favored 'General case' 0 C--O 1.242 0.71 0 CA-C-O 121.677 0.751 . . . . 0.0 109.713 176.198 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 28.6 mtpp -76.95 -31.05 56.32 Favored 'General case' 0 N--CA 1.442 -0.863 0 N-CA-C 108.567 -0.901 . . . . 0.0 108.567 179.66 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.57 ' HG2' ' O ' ' A' ' 10' ' ' ILE . 31.6 mmmt -63.06 -38.75 92.43 Favored 'General case' 0 C--O 1.216 -0.709 0 CA-C-N 115.412 -0.813 . . . . 0.0 109.839 176.093 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.58 ' HG2' ' O ' ' A' ' 11' ' ' GLU . 33.7 mmtp -65.24 -32.52 74.24 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 109.71 -0.478 . . . . 0.0 109.71 178.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . 0.474 ' O ' ' HG ' ' A' ' 20' ' ' LEU . 9.2 tp10 -74.06 -42.6 59.96 Favored 'General case' 0 N--CA 1.444 -0.731 0 N-CA-C 107.511 -1.292 . . . . 0.0 107.511 -179.02 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.412 ' O ' HG22 ' A' ' 21' ' ' VAL . 13.3 mt -56.49 -43.71 79.96 Favored 'General case' 0 C--O 1.212 -0.893 0 CA-C-N 114.771 -1.104 . . . . 0.0 112.224 175.872 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . 0.484 HG13 ' O ' ' A' ' 14' ' ' LYS . 83.9 mt -56.09 -45.75 80.69 Favored 'Isoleucine or valine' 0 C--O 1.242 0.698 0 O-C-N 123.367 0.417 . . . . 0.0 110.075 177.244 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 76.0 t80 -61.86 -44.79 96.1 Favored 'General case' 0 CA--C 1.533 0.314 0 CA-C-N 115.831 -0.622 . . . . 0.0 109.993 176.652 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.474 ' HG ' ' O ' ' A' ' 16' ' ' GLU . 84.4 mt -62.95 -43.68 98.13 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.546 -179.407 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.412 HG22 ' O ' ' A' ' 17' ' ' LEU . 96.8 t -60.27 -41.46 87.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 CA-C-O 120.78 0.324 . . . . 0.0 110.363 176.556 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 49.0 mt-10 -68.65 -43.18 76.78 Favored 'General case' 0 C--N 1.309 -1.167 0 N-CA-C 112.485 0.55 . . . . 0.0 112.485 177.282 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 20.9 tptm -80.39 -45.76 17.16 Favored 'General case' 0 N--CA 1.42 -1.954 0 N-CA-C 113.303 0.853 . . . . 0.0 113.303 -172.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 87.5 m-85 -106.49 -34.86 7.26 Favored 'General case' 0 C--N 1.313 -1.0 0 CA-C-O 120.985 0.421 . . . . 0.0 111.034 -175.852 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 118.05 161.49 11.97 Favored Glycine 0 C--N 1.299 -1.479 0 N-CA-C 111.326 -0.71 . . . . 0.0 111.326 -179.259 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 52.8 p90 -74.71 -36.81 62.7 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 117.525 0.663 . . . . 0.0 110.249 179.187 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 8.4 t -94.07 71.66 3.98 Favored 'General case' 0 N--CA 1.424 -1.76 0 CA-C-O 123.329 1.538 . . . . 0.0 108.96 178.584 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . 0.413 ' O ' HG13 ' A' ' 32' ' ' ILE . 36.7 t60 -137.96 130.74 29.78 Favored 'General case' 0 C--N 1.294 -1.841 0 N-CA-C 105.862 -1.903 . . . . 0.0 105.862 178.738 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 12.5 t-80 -53.03 -45.35 67.97 Favored 'General case' 0 C--N 1.318 -0.796 0 N-CA-C 113.47 0.915 . . . . 0.0 113.47 -171.334 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 33.5 mmtp -66.05 -34.96 79.26 Favored 'General case' 0 C--N 1.32 -0.695 0 C-N-CA 120.333 -0.547 . . . . 0.0 112.203 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 63.6 t -67.34 -39.66 83.22 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.917 0 N-CA-C 108.794 -0.817 . . . . 0.0 108.794 178.153 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.413 HG13 ' O ' ' A' ' 28' ' ' HIS . 70.6 mt -62.58 -42.4 95.78 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.684 0 CA-C-N 115.527 -0.76 . . . . 0.0 109.902 176.737 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 65.8 p -65.81 -33.22 75.34 Favored 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 120.511 -0.476 . . . . 0.0 111.56 178.315 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 44.4 m-85 -70.05 -33.64 72.21 Favored 'General case' 0 C--O 1.213 -0.832 0 C-N-CA 120.69 -0.404 . . . . 0.0 110.556 175.894 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 22.9 t -60.91 -41.07 95.41 Favored 'General case' 0 C--N 1.322 -0.614 0 N-CA-C 109.093 -0.706 . . . . 0.0 109.093 177.618 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . 0.469 ' O ' ' HB3' ' A' ' 39' ' ' ASP . 73.4 mt-30 -67.62 -32.67 73.54 Favored 'General case' 0 N--CA 1.462 0.173 0 CA-C-O 121.309 0.576 . . . . 0.0 110.13 178.537 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 33.8 tt0 -71.32 -45.22 63.53 Favored 'General case' 0 C--N 1.314 -0.947 0 CA-C-N 115.909 -0.587 . . . . 0.0 109.739 178.041 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -59.74 -32.62 70.73 Favored 'General case' 0 CA--C 1.508 -0.64 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.98 176.453 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . 0.469 ' HB3' ' O ' ' A' ' 36' ' ' GLN . 8.3 t70 -57.81 -48.13 80.63 Favored 'General case' 0 C--N 1.317 -0.826 0 O-C-N 123.901 0.751 . . . . 0.0 109.561 175.647 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 18.2 mmt180 -70.39 -41.12 73.43 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.489 -0.778 . . . . 0.0 111.431 -177.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -61.68 -44.45 96.92 Favored 'General case' 0 N--CA 1.467 0.41 0 O-C-N 123.41 0.444 . . . . 0.0 110.775 176.16 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 60.0 tp -65.14 -32.36 74.01 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.338 0.589 . . . . 0.0 110.191 179.026 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 3.6 t-20 -70.57 -23.22 62.55 Favored 'General case' 0 N--CA 1.432 -1.359 0 CA-C-N 115.965 -0.561 . . . . 0.0 111.109 -178.132 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 96.1 mt -56.2 -47.21 78.81 Favored 'General case' 0 N--CA 1.471 0.623 0 O-C-N 123.082 0.239 . . . . 0.0 111.371 179.746 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.434 ' H ' HD22 ' A' ' 45' ' ' LEU . 0.7 OUTLIER -71.71 -33.98 69.21 Favored 'General case' 0 C--O 1.211 -0.922 0 C-N-CA 120.09 -0.644 . . . . 0.0 111.707 179.741 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 72.3 mt -65.69 -49.1 79.75 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.607 0 CA-C-O 121.33 0.586 . . . . 0.0 109.584 178.098 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 9.1 tp10 -60.46 -49.11 78.87 Favored 'General case' 0 C--N 1.318 -0.793 0 C-N-CA 124.464 1.106 . . . . 0.0 110.354 -179.457 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -67.26 -38.78 85.68 Favored 'General case' 0 N--CA 1.443 -0.792 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.272 -178.411 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 88.5 tttt -64.53 -30.93 71.96 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-O 120.876 0.369 . . . . 0.0 110.652 -179.066 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 28.4 m -75.36 -36.34 60.98 Favored 'General case' 0 CA--C 1.552 1.052 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.894 -179.424 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 63.2 mttp -80.26 -53.54 6.56 Favored 'General case' 0 N--CA 1.438 -1.042 0 O-C-N 122.106 -0.372 . . . . 0.0 110.114 177.286 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 65.5 pttt 49.13 13.71 0.07 Allowed 'General case' 0 N--CA 1.505 2.284 0 C-N-CA 127.792 2.437 . . . . 0.0 114.281 -178.472 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 58.7 pttt -112.78 8.88 18.98 Favored 'General case' 0 C--N 1.296 -1.73 0 CA-C-O 121.093 0.473 . . . . 0.0 110.672 -175.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 32.4 mtm180 -101.07 161.54 13.53 Favored 'General case' 0 C--N 1.312 -1.053 0 C-N-CA 119.567 -0.853 . . . . 0.0 110.354 -178.149 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 8.0 p90 -64.03 -3.3 2.5 Favored 'General case' 0 C--N 1.31 -1.143 0 C-N-CA 124.421 1.088 . . . . 0.0 112.867 179.169 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' SER . . . . . 0.405 ' HA ' ' HG3' ' A' ' 59' ' ' GLU . 12.0 m -64.18 -15.71 60.43 Favored 'General case' 0 CA--C 1.538 0.511 0 C-N-CA 123.922 0.889 . . . . 0.0 111.829 178.735 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 90.2 mt -77.71 -13.34 59.93 Favored 'General case' 0 C--O 1.218 -0.561 0 N-CA-C 108.888 -0.782 . . . . 0.0 108.888 176.381 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 3.5 mp -108.27 -81.24 0.57 Allowed 'General case' 0 N--CA 1.432 -1.368 0 N-CA-C 107.234 -1.395 . . . . 0.0 107.234 175.337 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . 0.405 ' HG3' ' HA ' ' A' ' 56' ' ' SER 0.313 43.8 mt-10 39.53 -89.7 0.01 OUTLIER 'General case' 0 C--O 1.239 0.547 0 N-CA-C 116.308 1.966 . . . . 0.0 116.308 -174.763 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 13.6 t-80 -143.55 151.22 39.96 Favored 'General case' 0 C--N 1.275 -2.661 0 N-CA-C 107.481 -1.303 . . . . 0.0 107.481 -176.653 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 40.7 m-70 -69.11 -43.66 74.02 Favored 'General case' 0 C--N 1.316 -0.874 0 C-N-CA 120.545 -0.462 . . . . 0.0 110.863 -178.545 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 48.8 t-80 -94.75 126.85 40.33 Favored 'General case' 0 C--N 1.312 -1.033 0 N-CA-C 109.439 -0.578 . . . . 0.0 109.439 176.293 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 26.7 m-70 -82.19 100.11 9.66 Favored 'General case' 0 C--N 1.307 -1.272 0 CA-C-O 121.253 0.549 . . . . 0.0 110.774 177.136 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 81.6 t60 . . . . . 0 C--N 1.294 -1.835 0 N-CA-C 107.4 -1.333 . . . . 0.0 107.4 178.151 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 45.5 ttm . . . . . 0 CA--C 1.518 -0.272 0 N-CA-C 109.46 -0.57 . . . . 0.0 109.46 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 2.2 m-20 -109.77 131.69 54.83 Favored 'General case' 0 C--N 1.311 -1.074 0 N-CA-C 108.24 -1.022 . . . . 0.0 108.24 177.032 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 28.0 m -70.03 -31.88 49.32 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.965 0 C-N-CA 120.835 -0.346 . . . . 0.0 110.793 -179.766 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 11.1 t -64.19 -35.95 82.46 Favored 'General case' 0 N--CA 1.445 -0.715 0 N-CA-C 109.303 -0.628 . . . . 0.0 109.303 176.765 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . 0.428 ' O ' ' HG3' ' A' ' 9' ' ' ARG . 55.2 mttm -78.32 -27.33 47.14 Favored 'General case' 0 N--CA 1.437 -1.124 0 N-CA-C 112.933 0.716 . . . . 0.0 112.933 178.759 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 43.0 tp -66.48 -45.78 78.51 Favored 'General case' 0 C--N 1.313 -0.979 0 N-CA-C 108.331 -0.988 . . . . 0.0 108.331 175.033 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . 0.474 ' O ' ' HB ' ' A' ' 10' ' ' ILE . 0.2 OUTLIER -67.21 -31.93 72.65 Favored 'General case' 0 CA--C 1.539 0.538 0 N-CA-C 108.93 -0.767 . . . . 0.0 108.93 177.62 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 17.1 t70 -58.66 -37.96 77.12 Favored 'General case' 0 N--CA 1.479 1.016 0 C-N-CA 123.568 0.747 . . . . 0.0 110.558 176.037 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . 0.428 ' HG3' ' O ' ' A' ' 5' ' ' LYS . 97.2 mtt180 -65.79 -37.5 86.47 Favored 'General case' 0 CA--C 1.507 -0.684 0 CA-C-N 116.062 -0.517 . . . . 0.0 109.687 177.605 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.474 ' HB ' ' O ' ' A' ' 7' ' ' ASN . 68.4 mt -60.26 -47.11 93.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 N-CA-C 108.756 -0.831 . . . . 0.0 108.756 176.292 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . 0.435 ' HG2' ' O ' ' A' ' 7' ' ' ASN . 38.5 mm-40 -58.48 -45.81 87.91 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.44 -0.8 . . . . 0.0 111.13 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -67.51 -30.53 70.23 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.983 179.004 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 18.6 tptm -76.6 -34.32 58.39 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 109.622 -0.51 . . . . 0.0 109.622 -178.702 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.542 ' O ' HG13 ' A' ' 18' ' ' ILE . 91.9 mttt -59.66 -49.21 78.63 Favored 'General case' 0 C--O 1.217 -0.656 0 CA-C-N 115.973 -0.558 . . . . 0.0 109.622 173.85 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 75.0 mmtt -65.2 -32.49 74.2 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.356 -179.52 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . 0.544 ' O ' ' HG ' ' A' ' 20' ' ' LEU . 34.7 tt0 -69.89 -43.66 71.32 Favored 'General case' 0 C--N 1.32 -0.709 0 N-CA-C 107.36 -1.348 . . . . 0.0 107.36 -179.671 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.437 ' O ' HG21 ' A' ' 21' ' ' VAL . 11.5 mt -61.66 -41.28 97.32 Favored 'General case' 0 N--CA 1.439 -1.002 0 CA-C-N 114.566 -1.197 . . . . 0.0 112.487 176.37 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . 0.542 HG13 ' O ' ' A' ' 14' ' ' LYS . 79.2 mt -56.95 -43.35 80.51 Favored 'Isoleucine or valine' 0 C--O 1.239 0.551 0 N-CA-C 109.995 -0.372 . . . . 0.0 109.995 177.171 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 79.7 t80 -64.98 -39.77 93.98 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.705 177.26 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.544 ' HG ' ' O ' ' A' ' 16' ' ' GLU . 84.9 mt -66.02 -38.71 89.14 Favored 'General case' 0 C--N 1.31 -1.12 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.827 178.766 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.437 HG21 ' O ' ' A' ' 17' ' ' LEU . 64.0 t -63.33 -32.39 56.31 Favored 'Isoleucine or valine' 0 CA--C 1.554 1.116 0 CA-C-O 121.302 0.573 . . . . 0.0 110.12 173.795 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 18.5 mm-40 -68.08 -52.46 34.85 Favored 'General case' 0 C--N 1.317 -0.809 0 O-C-N 121.864 -0.522 . . . . 0.0 110.972 175.338 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 34.7 mmtp -77.78 -47.55 18.71 Favored 'General case' 0 C--N 1.32 -0.717 0 N-CA-C 114.141 1.163 . . . . 0.0 114.141 -176.264 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 69.2 m-85 -100.79 -40.86 7.11 Favored 'General case' 0 C--N 1.301 -1.513 0 CA-C-O 120.982 0.42 . . . . 0.0 110.596 -175.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . 0.407 ' HA3' ' O ' ' A' ' 21' ' ' VAL . . . 106.86 -147.68 16.26 Favored Glycine 0 C--N 1.301 -1.38 0 N-CA-C 111.171 -0.772 . . . . 0.0 111.171 -179.371 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 38.1 p90 -124.58 177.4 5.96 Favored 'General case' 0 C--N 1.304 -1.376 0 N-CA-C 108.751 -0.833 . . . . 0.0 108.751 177.537 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 41.1 p 56.99 20.58 5.5 Favored 'General case' 0 N--CA 1.484 1.254 0 C-N-CA 124.904 1.281 . . . . 0.0 111.6 -173.699 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 39.4 t60 -104.84 132.56 50.93 Favored 'General case' 0 N--CA 1.429 -1.517 0 N-CA-C 107.465 -1.309 . . . . 0.0 107.465 -177.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 11.6 m170 -50.12 -45.48 52.91 Favored 'General case' 0 N--CA 1.488 1.453 0 N-CA-C 114.078 1.14 . . . . 0.0 114.078 -173.858 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 55.9 mttm -62.74 -49.46 74.94 Favored 'General case' 0 C--N 1.322 -0.619 0 N-CA-C 109.268 -0.641 . . . . 0.0 109.268 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 58.8 t -60.85 -44.55 97.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 115.348 -0.842 . . . . 0.0 110.817 -178.776 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 87.7 mt -57.76 -44.6 86.23 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.521 0 CA-C-O 121.107 0.48 . . . . 0.0 110.194 177.641 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' SER . . . . . 0.45 ' O ' ' HG3' ' A' ' 37' ' ' GLU . 41.3 m -64.42 -39.17 93.32 Favored 'General case' 0 C--N 1.316 -0.848 0 CA-C-N 115.83 -0.623 . . . . 0.0 111.517 -179.799 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 42.2 m-85 -70.97 -36.05 72.39 Favored 'General case' 0 C--O 1.238 0.464 0 CA-C-O 120.948 0.404 . . . . 0.0 110.617 177.498 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 27.7 t -63.22 -40.94 98.89 Favored 'General case' 0 C--N 1.319 -0.749 0 C-N-CA 123.924 0.89 . . . . 0.0 110.415 -179.686 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 78.1 mt-30 -67.42 -31.56 71.84 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.463 -0.335 . . . . 0.0 111.314 178.201 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . 0.557 ' O ' ' HG ' ' A' ' 41' ' ' LEU . 50.0 mt-10 -67.12 -37.47 83.92 Favored 'General case' 0 C--O 1.214 -0.776 0 N-CA-C 109.515 -0.55 . . . . 0.0 109.515 176.552 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -60.58 -45.37 94.21 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 108.906 -0.776 . . . . 0.0 108.906 179.925 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 29.7 t70 -63.93 -39.48 94.26 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.903 -0.59 . . . . 0.0 110.911 177.262 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 30.1 tpt180 -63.99 -35.91 82.24 Favored 'General case' 0 CA--C 1.535 0.386 0 CA-C-N 116.504 -0.316 . . . . 0.0 110.652 175.808 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.557 ' HG ' ' O ' ' A' ' 37' ' ' GLU . 90.7 mt -63.54 -41.85 98.43 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 110.314 -0.254 . . . . 0.0 110.314 177.607 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -61.38 -41.71 97.55 Favored 'General case' 0 N--CA 1.475 0.814 0 CA-C-O 121.823 0.82 . . . . 0.0 109.924 174.264 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 22.2 m-80 -67.65 -17.42 64.59 Favored 'General case' 0 C--O 1.205 -1.288 0 CA-C-N 114.718 -1.128 . . . . 0.0 112.76 179.728 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.566 ' O ' ' HG ' ' A' ' 48' ' ' LEU . 88.6 mt -66.65 -42.37 86.75 Favored 'General case' 0 C--O 1.215 -0.715 0 N-CA-C 109.965 -0.383 . . . . 0.0 109.965 175.495 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -65.0 -37.72 88.58 Favored 'General case' 0 N--CA 1.47 0.555 0 CA-C-O 121.343 0.592 . . . . 0.0 109.426 177.41 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 74.2 mt -66.56 -41.37 88.29 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.695 0 CA-C-N 115.218 -0.901 . . . . 0.0 109.888 178.125 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 35.2 tt0 -72.15 -31.46 66.0 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 115.61 -0.723 . . . . 0.0 110.721 -178.705 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.566 ' HG ' ' O ' ' A' ' 44' ' ' LEU . 28.0 mt -57.9 -35.32 70.87 Favored 'General case' 0 CA--C 1.51 -0.571 0 CA-C-O 121.194 0.521 . . . . 0.0 111.454 175.569 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 24.2 tptm -63.37 -43.88 96.35 Favored 'General case' 0 C--N 1.31 -1.124 0 CA-C-N 115.283 -0.871 . . . . 0.0 109.3 177.285 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 6.3 m -69.47 -17.56 63.63 Favored 'General case' 0 CA--C 1.562 1.438 0 CA-C-N 115.199 -0.91 . . . . 0.0 112.061 -177.427 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . 0.428 ' C ' ' H ' ' A' ' 53' ' ' LYS . 75.6 mmtt -65.72 -16.58 63.9 Favored 'General case' 0 N--CA 1.482 1.132 0 N-CA-C 112.368 0.507 . . . . 0.0 112.368 -177.516 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . 0.287 23.2 pttm 62.72 -19.31 0.05 OUTLIER 'General case' 0 N--CA 1.505 2.299 0 C-N-CA 126.785 2.034 . . . . 0.0 115.297 -179.004 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . 0.428 ' H ' ' C ' ' A' ' 51' ' ' LYS . 11.4 ptmm? -82.24 -4.4 57.03 Favored 'General case' 0 C--N 1.308 -1.236 0 CA-C-O 121.474 0.654 . . . . 0.0 111.424 177.005 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 22.9 mmm180 -88.8 144.2 26.39 Favored 'General case' 0 N--CA 1.434 -1.251 0 N-CA-C 107.635 -1.246 . . . . 0.0 107.635 174.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 62.7 m-85 -62.02 -31.95 72.39 Favored 'General case' 0 C--N 1.311 -1.087 0 N-CA-C 113.137 0.791 . . . . 0.0 113.137 -170.293 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 12.8 p -67.34 -13.54 62.09 Favored 'General case' 0 C--N 1.316 -0.851 0 N-CA-C 114.211 1.189 . . . . 0.0 114.211 -176.328 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 10.3 tt -87.25 -30.82 20.64 Favored 'General case' 0 N--CA 1.45 -0.427 0 C-N-CA 119.061 -1.056 . . . . 0.0 109.807 176.933 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 4.7 mp -81.75 -55.15 4.81 Favored 'General case' 0 C--N 1.316 -0.887 0 N-CA-C 108.083 -1.08 . . . . 0.0 108.083 178.429 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 37.6 mt-10 -102.52 89.87 3.67 Favored 'General case' 0 N--CA 1.425 -1.714 0 N-CA-C 107.689 -1.226 . . . . 0.0 107.689 -179.266 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 40.4 t-80 -106.69 101.6 11.04 Favored 'General case' 0 C--N 1.296 -1.73 0 CA-C-N 115.486 -0.779 . . . . 0.0 109.708 -175.636 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 41.2 m-70 -86.47 122.32 30.25 Favored 'General case' 0 C--N 1.294 -1.824 0 N-CA-C 108.185 -1.043 . . . . 0.0 108.185 178.88 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 33.9 t-80 -97.78 102.06 13.72 Favored 'General case' 0 C--N 1.287 -2.122 0 N-CA-C 108.799 -0.815 . . . . 0.0 108.799 -178.755 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 6.7 t60 -96.18 112.99 24.55 Favored 'General case' 0 C--N 1.298 -1.668 0 N-CA-C 107.657 -1.238 . . . . 0.0 107.657 178.597 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 4.9 t60 . . . . . 0 C--N 1.289 -2.063 0 N-CA-C 106.791 -1.559 . . . . 0.0 106.791 -179.047 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 86.4 mmm . . . . . 0 CA--C 1.51 -0.558 0 CA-C-O 120.745 0.307 . . . . 0.0 110.706 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 1.5 m-20 -76.54 86.88 3.24 Favored 'General case' 0 C--N 1.318 -0.795 0 CA-C-N 116.171 -0.468 . . . . 0.0 109.911 -176.494 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 26.9 m -66.82 -17.92 23.4 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.636 0 N-CA-C 112.252 0.464 . . . . 0.0 112.252 -178.198 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 8.8 t -62.61 -27.27 69.08 Favored 'General case' 0 C--N 1.318 -0.776 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.329 175.163 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . 0.4 ' NZ ' ' HB3' ' A' ' 5' ' ' LYS . 7.0 mtpm? -75.84 -28.73 58.34 Favored 'General case' 0 N--CA 1.445 -0.676 0 N-CA-C 109.7 -0.481 . . . . 0.0 109.7 -179.755 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.449 ' O ' HG13 ' A' ' 10' ' ' ILE . 2.0 tm? -70.13 -40.32 74.89 Favored 'General case' 0 N--CA 1.448 -0.539 0 N-CA-C 107.118 -1.438 . . . . 0.0 107.118 177.302 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 24.9 t-20 -60.48 -40.71 92.28 Favored 'General case' 0 C--O 1.244 0.782 0 CA-C-N 115.574 -0.739 . . . . 0.0 110.104 176.212 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 15.2 t70 -61.49 -40.47 94.7 Favored 'General case' 0 C--O 1.244 0.807 0 CA-C-N 115.28 -0.873 . . . . 0.0 110.967 176.096 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 73.2 mtp180 -62.65 -40.17 96.21 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.721 -0.672 . . . . 0.0 110.418 176.209 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.449 HG13 ' O ' ' A' ' 6' ' ' LEU . 71.2 mt -60.74 -46.61 95.71 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.339 0 N-CA-C 109.495 -0.558 . . . . 0.0 109.495 177.014 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . 0.408 ' O ' ' HG3' ' A' ' 15' ' ' LYS . 16.5 mm-40 -55.94 -44.79 78.74 Favored 'General case' 0 N--CA 1.469 0.49 0 O-C-N 123.264 0.352 . . . . 0.0 111.295 177.369 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -63.34 -37.64 88.07 Favored 'General case' 0 C--O 1.242 0.667 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.723 -179.791 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 50.9 tptt -72.61 -36.33 68.07 Favored 'General case' 0 N--CA 1.449 -0.483 0 CA-C-N 115.931 -0.577 . . . . 0.0 109.581 -178.601 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 9.3 mtpm? -62.26 -48.02 81.75 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.743 -0.662 . . . . 0.0 110.654 176.908 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.408 ' HG3' ' O ' ' A' ' 11' ' ' GLU . 30.0 mtpp -59.28 -39.84 84.18 Favored 'General case' 0 C--O 1.25 1.108 0 CA-C-O 121.32 0.581 . . . . 0.0 110.167 177.093 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . 0.481 ' O ' ' HG ' ' A' ' 20' ' ' LEU . 36.4 tt0 -66.48 -50.61 62.72 Favored 'General case' 0 N--CA 1.442 -0.843 0 CA-C-N 115.046 -0.979 . . . . 0.0 110.557 179.486 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.474 ' O ' HG22 ' A' ' 21' ' ' VAL . 52.7 tp -59.52 -41.31 89.7 Favored 'General case' 0 C--O 1.215 -0.718 0 CA-C-N 116.464 -0.335 . . . . 0.0 111.757 -177.753 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 79.1 mt -56.65 -43.1 78.21 Favored 'Isoleucine or valine' 0 C--O 1.238 0.484 0 CA-C-O 120.891 0.376 . . . . 0.0 110.018 176.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 85.5 t80 -67.26 -40.87 86.29 Favored 'General case' 0 CA--C 1.541 0.624 0 CA-C-N 115.767 -0.651 . . . . 0.0 110.688 178.03 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.511 HD11 ' CD2' ' A' ' 34' ' ' PHE . 85.1 mt -65.65 -37.4 86.42 Favored 'General case' 0 C--N 1.318 -0.773 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.514 -179.242 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.474 HG22 ' O ' ' A' ' 17' ' ' LEU . 87.6 t -64.04 -37.98 81.24 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.431 0 CA-C-O 121.247 0.546 . . . . 0.0 109.684 175.964 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 47.6 mm-40 -66.97 -40.34 87.41 Favored 'General case' 0 C--N 1.314 -0.973 0 CA-C-N 115.935 -0.575 . . . . 0.0 111.157 178.175 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 30.3 mmmt -82.26 -47.6 12.23 Favored 'General case' 0 C--N 1.31 -1.136 0 N-CA-C 113.564 0.95 . . . . 0.0 113.564 -175.922 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 90.3 m-85 -96.45 -39.03 9.78 Favored 'General case' 0 C--N 1.306 -1.307 0 CA-C-O 120.897 0.379 . . . . 0.0 111.967 -174.267 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 127.32 -169.45 19.16 Favored Glycine 0 N--CA 1.434 -1.435 0 N-CA-C 110.098 -1.201 . . . . 0.0 110.098 -177.414 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 38.6 p90 -113.22 -28.51 7.6 Favored 'General case' 0 C--N 1.309 -1.183 0 CA-C-N 117.424 0.612 . . . . 0.0 112.243 -179.314 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 12.6 p -89.94 -0.09 57.38 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.435 0.636 . . . . 0.0 111.252 178.753 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 23.1 t60 -66.66 127.01 30.77 Favored 'General case' 0 CA--C 1.538 0.5 0 N-CA-C 107.574 -1.269 . . . . 0.0 107.574 177.476 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 32.4 m170 -58.38 -39.51 79.8 Favored 'General case' 0 N--CA 1.477 0.925 0 N-CA-C 114.01 1.115 . . . . 0.0 114.01 -172.629 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 33.7 mmtp -65.79 -34.97 79.39 Favored 'General case' 0 C--O 1.214 -0.791 0 C-N-CA 120.775 -0.37 . . . . 0.0 111.507 177.724 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 94.5 t -66.24 -39.91 85.5 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.658 0 N-CA-C 109.588 -0.523 . . . . 0.0 109.588 178.231 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.43 ' O ' ' HG3' ' A' ' 36' ' ' GLN . 68.3 mt -64.45 -37.23 79.47 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.692 0 N-CA-C 109.084 -0.71 . . . . 0.0 109.084 175.87 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 29.2 t -65.97 -36.38 83.15 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.991 -0.549 . . . . 0.0 110.156 177.772 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . 0.511 ' CD2' HD11 ' A' ' 20' ' ' LEU . 20.8 m-85 -72.71 -30.46 64.21 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 121.034 0.445 . . . . 0.0 109.903 178.007 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 42.7 m -66.66 -37.98 85.91 Favored 'General case' 0 N--CA 1.446 -0.671 0 N-CA-C 109.002 -0.74 . . . . 0.0 109.002 175.263 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . 0.43 ' HG3' ' O ' ' A' ' 32' ' ' ILE . 79.2 mt-30 -63.12 -38.27 90.51 Favored 'General case' 0 C--O 1.223 -0.319 0 CA-C-N 115.722 -0.672 . . . . 0.0 109.647 175.596 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . 0.404 ' O ' ' HG ' ' A' ' 41' ' ' LEU . 25.7 mm-40 -64.48 -41.56 96.41 Favored 'General case' 0 C--O 1.219 -0.522 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.874 177.268 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 5.7 tt -59.45 -51.52 69.55 Favored 'General case' 0 C--O 1.237 0.411 0 N-CA-C 108.481 -0.933 . . . . 0.0 108.481 178.833 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 13.6 t70 -59.88 -40.25 88.06 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 115.204 -0.907 . . . . 0.0 111.167 178.326 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . 0.4 ' O ' ' HG ' ' A' ' 44' ' ' LEU . 38.1 ttm180 -64.12 -41.94 97.05 Favored 'General case' 0 C--N 1.311 -1.094 0 CA-C-N 115.561 -0.745 . . . . 0.0 111.092 179.425 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.404 ' HG ' ' O ' ' A' ' 37' ' ' GLU . 96.1 mt -66.35 -42.33 88.21 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.695 0.283 . . . . 0.0 110.398 177.263 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 63.1 tp -60.94 -42.52 98.34 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 121.137 0.494 . . . . 0.0 110.478 178.146 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 18.5 m-80 -68.38 -17.94 64.35 Favored 'General case' 0 C--N 1.314 -0.973 0 N-CA-C 112.92 0.711 . . . . 0.0 112.92 -179.447 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.4 ' HG ' ' O ' ' A' ' 40' ' ' ARG . 93.5 mt -64.73 -38.94 92.69 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 109.425 -0.583 . . . . 0.0 109.425 175.673 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 99.1 mt -62.83 -47.72 82.19 Favored 'General case' 0 CA--C 1.516 -0.328 0 N-CA-C 109.211 -0.663 . . . . 0.0 109.211 176.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 1.8 mp -58.71 -46.8 90.39 Favored 'Isoleucine or valine' 0 C--O 1.239 0.525 0 CA-C-N 115.135 -0.939 . . . . 0.0 111.08 179.341 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -60.66 -54.13 49.02 Favored 'General case' 0 CA--C 1.507 -0.702 0 N-CA-C 112.593 0.59 . . . . 0.0 112.593 179.218 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -63.16 -33.08 74.71 Favored 'General case' 0 C--N 1.322 -0.615 0 N-CA-C 112.251 0.463 . . . . 0.0 112.251 -177.713 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 55.5 tttp -67.14 -49.75 63.72 Favored 'General case' 0 C--N 1.316 -0.865 0 CA-C-N 115.857 -0.61 . . . . 0.0 110.195 177.131 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 19.5 m -76.79 -42.34 41.04 Favored 'General case' 0 CA--C 1.548 0.884 0 CA-C-N 115.728 -0.669 . . . . 0.0 112.124 -174.499 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 97.6 mttt -71.77 -45.15 62.58 Favored 'General case' 0 CA--C 1.507 -0.685 0 N-CA-C 109.733 -0.469 . . . . 0.0 109.733 -179.526 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 12.8 ptmm? 41.78 32.11 0.25 Allowed 'General case' 0 N--CA 1.498 1.953 0 C-N-CA 126.38 1.872 . . . . 0.0 113.988 178.055 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 20.1 ptmt -101.07 -8.33 22.41 Favored 'General case' 0 C--N 1.285 -2.198 0 CA-C-N 115.564 -0.744 . . . . 0.0 111.894 -175.812 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 70.0 mtt180 -87.75 150.41 23.6 Favored 'General case' 0 C--N 1.313 -1.018 0 C-N-CA 120.409 -0.516 . . . . 0.0 109.704 176.685 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 95.2 m-85 -53.07 -23.14 7.12 Favored 'General case' 0 C--N 1.322 -0.61 0 N-CA-C 115.807 1.78 . . . . 0.0 115.807 -169.83 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 23.8 m -61.97 -24.92 67.31 Favored 'General case' 0 CA--C 1.548 0.9 0 CA-C-O 120.982 0.42 . . . . 0.0 111.369 178.004 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -99.24 -1.15 39.85 Favored 'General case' 0 C--O 1.24 0.605 0 CA-C-N 116.388 -0.369 . . . . 0.0 111.372 -178.682 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 7.9 mp -111.66 -58.37 2.13 Favored 'General case' 0 C--N 1.312 -1.024 0 CA-C-O 121.218 0.532 . . . . 0.0 110.254 -178.003 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 36.2 mt-10 -138.6 -159.48 0.96 Allowed 'General case' 0 N--CA 1.435 -1.202 0 N-CA-C 107.863 -1.162 . . . . 0.0 107.863 -173.665 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 36.6 m80 -104.9 102.52 12.04 Favored 'General case' 0 C--N 1.293 -1.865 0 N-CA-C 108.072 -1.084 . . . . 0.0 108.072 175.347 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 24.2 p80 -81.66 103.01 11.06 Favored 'General case' 0 N--CA 1.432 -1.371 0 N-CA-C 105.951 -1.87 . . . . 0.0 105.951 171.508 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 94.2 m-70 -50.67 108.24 0.22 Allowed 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 114.115 -1.402 . . . . 0.0 112.873 -171.279 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 49.9 t-80 -143.2 155.33 44.51 Favored 'General case' 0 C--N 1.295 -1.781 0 N-CA-C 106.533 -1.654 . . . . 0.0 106.533 -178.334 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 72.3 m-70 . . . . . 0 N--CA 1.421 -1.894 0 N-CA-C 109.102 -0.703 . . . . 0.0 109.102 -177.836 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.4 ' HG2' ' O ' ' A' ' 56' ' ' SER . 27.2 ptm . . . . . 0 CA--C 1.504 -0.814 0 N-CA-C 109.181 -0.674 . . . . 0.0 109.181 . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 44.8 t-20 -70.36 139.28 51.91 Favored 'General case' 0 C--N 1.307 -1.251 0 N-CA-C 108.91 -0.774 . . . . 0.0 108.91 -179.787 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 34.4 m -61.9 -26.27 39.45 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.195 0 N-CA-C 113.167 0.802 . . . . 0.0 113.167 -176.33 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 15.3 t -65.04 -26.82 68.42 Favored 'General case' 0 CA--C 1.542 0.661 0 CA-C-O 121.403 0.621 . . . . 0.0 109.858 177.504 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 75.4 mmtt -76.3 -28.01 56.81 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.765 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 35.8 tp -71.33 -38.16 71.7 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 107.768 -1.197 . . . . 0.0 107.768 175.792 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . 0.431 ' HA ' HD13 ' A' ' 10' ' ' ILE . 2.7 t-20 -67.81 -31.43 71.29 Favored 'General case' 0 CA--C 1.545 0.788 0 CA-C-N 115.158 -0.928 . . . . 0.0 109.632 176.031 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 18.6 t70 -67.68 -38.5 83.79 Favored 'General case' 0 N--CA 1.47 0.567 0 CA-C-N 115.738 -0.664 . . . . 0.0 110.006 176.204 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 36.7 mmt180 -59.08 -38.79 80.32 Favored 'General case' 0 N--CA 1.472 0.667 0 CA-C-N 116.142 -0.481 . . . . 0.0 109.996 175.558 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.588 ' O ' ' HG3' ' A' ' 14' ' ' LYS . 80.5 mt -62.54 -50.55 79.36 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.496 0 CA-C-N 115.35 -0.841 . . . . 0.0 109.122 176.639 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . 0.524 ' O ' ' HG2' ' A' ' 15' ' ' LYS . 42.3 tt0 -54.11 -50.17 67.49 Favored 'General case' 0 CA--C 1.512 -0.513 0 O-C-N 123.814 0.696 . . . . 0.0 111.292 -178.408 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -59.02 -35.09 72.69 Favored 'General case' 0 C--N 1.318 -0.781 0 CA-C-N 115.632 -0.713 . . . . 0.0 111.159 179.82 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.418 ' O ' ' HB3' ' A' ' 16' ' ' GLU . 23.8 ttmm -77.64 -30.7 52.33 Favored 'General case' 0 N--CA 1.441 -0.882 0 CA-C-N 116.055 -0.52 . . . . 0.0 111.158 -179.31 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.588 ' HG3' ' O ' ' A' ' 10' ' ' ILE . 56.1 mtpt -62.42 -42.64 99.59 Favored 'General case' 0 C--N 1.32 -0.701 0 N-CA-C 109.395 -0.594 . . . . 0.0 109.395 176.638 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.524 ' HG2' ' O ' ' A' ' 11' ' ' GLU . 27.7 mmmt -65.29 -41.98 93.56 Favored 'General case' 0 C--O 1.246 0.896 0 N-CA-C 108.559 -0.904 . . . . 0.0 108.559 179.473 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . 0.418 ' HB3' ' O ' ' A' ' 13' ' ' LYS . 36.4 tt0 -57.82 -50.78 72.13 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 113.744 -1.571 . . . . 0.0 110.484 178.32 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.53 ' O ' HG22 ' A' ' 21' ' ' VAL . 51.9 tp -60.3 -41.14 92.82 Favored 'General case' 0 N--CA 1.444 -0.764 0 CA-C-N 115.988 -0.551 . . . . 0.0 111.496 -179.07 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . 0.511 ' O ' ' HG2' ' A' ' 22' ' ' GLU . 71.1 mt -59.43 -46.67 92.53 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.524 0 N-CA-C 109.61 -0.515 . . . . 0.0 109.61 177.826 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 62.1 t80 -57.16 -45.4 83.66 Favored 'General case' 0 C--O 1.242 0.676 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.592 177.93 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 90.4 mt -67.43 -34.74 77.84 Favored 'General case' 0 C--N 1.31 -1.131 0 CA-C-N 115.273 -0.876 . . . . 0.0 112.541 -178.345 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.53 HG22 ' O ' ' A' ' 17' ' ' LEU . 89.8 t -67.12 -39.21 82.69 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.51 0 N-CA-C 109.537 -0.542 . . . . 0.0 109.537 177.119 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . 0.511 ' HG2' ' O ' ' A' ' 18' ' ' ILE . 33.1 mm-40 -62.24 -38.69 90.22 Favored 'General case' 0 C--N 1.316 -0.867 0 CA-C-N 115.877 -0.602 . . . . 0.0 110.548 177.876 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 73.8 mmtt -78.49 -47.52 17.22 Favored 'General case' 0 C--N 1.32 -0.687 0 N-CA-C 113.126 0.787 . . . . 0.0 113.126 -178.18 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . 0.466 ' HB3' ' CD2' ' A' ' 28' ' ' HIS . 65.5 m-85 -89.02 -39.15 13.88 Favored 'General case' 0 C--N 1.307 -1.276 0 N-CA-C 114.065 1.135 . . . . 0.0 114.065 -175.187 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 129.04 156.23 8.83 Favored Glycine 0 C--N 1.303 -1.265 0 C-N-CA 119.849 -1.167 . . . . 0.0 111.306 -177.794 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 81.2 m-85 -65.77 123.24 19.21 Favored 'General case' 0 C--N 1.315 -0.893 0 CA-C-O 120.826 0.346 . . . . 0.0 111.397 179.181 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 15.1 m 62.48 24.87 14.82 Favored 'General case' 0 CA--C 1.564 1.498 0 CA-C-O 122.276 1.036 . . . . 0.0 111.403 176.375 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . 0.466 ' CD2' ' HB3' ' A' ' 24' ' ' TYR . 82.5 t60 -66.53 154.04 41.39 Favored 'General case' 0 CA--C 1.541 0.626 0 CA-C-N 115.787 -0.642 . . . . 0.0 109.857 176.406 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 60.6 t60 -48.38 -53.61 16.96 Favored 'General case' 0 CA--C 1.544 0.728 0 C-N-CA 124.924 1.29 . . . . 0.0 112.336 -177.713 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 75.5 mmtt -61.85 -38.28 87.64 Favored 'General case' 0 N--CA 1.468 0.45 0 CA-C-O 120.935 0.398 . . . . 0.0 110.274 179.541 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 71.9 t -60.08 -43.3 92.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 CA-C-N 115.546 -0.752 . . . . 0.0 111.311 -179.28 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.493 ' O ' ' HG2' ' A' ' 36' ' ' GLN . 72.9 mt -61.47 -37.45 77.81 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.676 0 CA-C-O 121.092 0.472 . . . . 0.0 110.095 178.867 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 12.9 t -68.89 -38.46 79.65 Favored 'General case' 0 CA--C 1.547 0.859 0 CA-C-N 115.783 -0.644 . . . . 0.0 109.813 179.768 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 16.4 m-85 -69.7 -32.51 71.15 Favored 'General case' 0 N--CA 1.472 0.656 0 CA-C-O 121.323 0.582 . . . . 0.0 109.523 178.1 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 47.9 t -61.83 -37.88 86.1 Favored 'General case' 0 N--CA 1.445 -0.695 0 CA-C-N 115.342 -0.844 . . . . 0.0 109.427 177.502 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . 0.493 ' HG2' ' O ' ' A' ' 32' ' ' ILE . 81.0 mm-40 -66.85 -34.06 76.97 Favored 'General case' 0 C--O 1.219 -0.522 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.794 178.631 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 53.9 mt-10 -61.49 -48.12 82.54 Favored 'General case' 0 CA--C 1.518 -0.259 0 N-CA-C 109.625 -0.509 . . . . 0.0 109.625 176.534 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -64.37 -46.39 83.58 Favored 'General case' 0 C--O 1.239 0.541 0 CA-C-N 115.233 -0.894 . . . . 0.0 109.469 -178.475 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 12.9 t70 -56.38 -51.02 69.89 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.61 -0.723 . . . . 0.0 110.693 178.398 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . 0.482 ' HG2' ' O ' ' A' ' 36' ' ' GLN . 15.2 mmt180 -66.28 -33.28 75.39 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.212 -0.449 . . . . 0.0 112.077 -177.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -65.34 -41.67 93.68 Favored 'General case' 0 CA--C 1.542 0.642 0 CA-C-O 121.626 0.727 . . . . 0.0 109.072 177.949 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 6.5 tt -70.26 -35.05 73.53 Favored 'General case' 0 C--N 1.323 -0.579 0 N-CA-C 108.769 -0.826 . . . . 0.0 108.769 178.246 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -65.55 -31.44 72.49 Favored 'General case' 0 N--CA 1.469 0.515 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.256 176.133 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.465 ' HG ' ' O ' ' A' ' 40' ' ' ARG . 95.0 mt -63.18 -45.5 91.5 Favored 'General case' 0 C--O 1.212 -0.904 0 N-CA-C 109.145 -0.687 . . . . 0.0 109.145 175.707 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 39.5 tp -57.18 -40.32 77.12 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.363 -0.835 . . . . 0.0 110.647 -179.568 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 74.3 mt -72.83 -50.5 32.75 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.917 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.476 178.13 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 30.8 tt0 -65.43 -31.96 73.33 Favored 'General case' 0 N--CA 1.462 0.128 0 CA-C-N 115.998 -0.546 . . . . 0.0 111.131 -174.472 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -59.21 -39.48 82.8 Favored 'General case' 0 C--N 1.324 -0.527 0 C-N-CA 122.755 0.422 . . . . 0.0 109.954 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 62.3 mttp -68.93 -31.71 70.8 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 121.24 0.543 . . . . 0.0 110.301 -179.724 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 18.3 m -71.02 -44.55 65.64 Favored 'General case' 0 N--CA 1.431 -1.416 0 CA-C-N 115.367 -0.833 . . . . 0.0 110.058 179.267 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . 0.517 ' C ' ' H ' ' A' ' 53' ' ' LYS . 12.1 ptmt -85.03 -59.15 2.42 Favored 'General case' 0 N--CA 1.422 -1.83 0 N-CA-C 113.207 0.817 . . . . 0.0 113.207 -174.171 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . 0.251 64.0 pttt 51.75 -23.07 0.0 OUTLIER 'General case' 0 N--CA 1.524 3.226 0 C-N-CA 127.612 2.365 . . . . 0.0 115.807 -174.586 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . 0.517 ' H ' ' C ' ' A' ' 51' ' ' LYS . 0.1 OUTLIER -67.25 -21.98 65.7 Favored 'General case' 0 C--N 1.306 -1.307 0 C-N-CA 125.885 1.674 . . . . 0.0 111.956 178.71 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . 0.451 ' C ' ' H ' ' A' ' 56' ' ' SER . 22.3 tpp180 -77.0 129.93 36.79 Favored 'General case' 0 N--CA 1.421 -1.91 0 N-CA-C 106.079 -1.823 . . . . 0.0 106.079 174.673 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 51.4 m-85 -70.8 29.68 0.04 OUTLIER 'General case' 0 N--CA 1.494 1.73 0 N-CA-C 114.605 1.335 . . . . 0.0 114.605 -172.34 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' SER . . . . . 0.451 ' H ' ' C ' ' A' ' 54' ' ' ARG . 41.5 t -69.6 -38.16 77.17 Favored 'General case' 0 C--N 1.285 -2.226 0 C-N-CA 123.82 0.848 . . . . 0.0 108.888 179.046 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.416 HD11 ' H ' ' A' ' 57' ' ' LEU . 4.5 mp -61.19 -34.07 74.48 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.1 -0.954 . . . . 0.0 109.33 -178.387 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 7.1 mp -87.61 -63.17 1.34 Allowed 'General case' 0 C--N 1.312 -1.058 0 CA-C-N 115.128 -0.942 . . . . 0.0 110.39 179.485 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 35.1 mt-10 -91.13 -100.22 0.11 Allowed 'General case' 0 C--N 1.314 -0.942 0 N-CA-C 112.959 0.726 . . . . 0.0 112.959 -172.673 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 56.0 t60 -162.03 151.37 15.91 Favored 'General case' 0 C--N 1.3 -1.559 0 C-N-CA 123.088 0.555 . . . . 0.0 109.757 -175.856 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 60.7 t-80 -140.35 141.13 35.69 Favored 'General case' 0 C--N 1.313 -0.988 0 N-CA-C 107.509 -1.293 . . . . 0.0 107.509 175.565 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 12.3 t60 -119.71 -81.98 0.64 Allowed 'General case' 0 C--N 1.299 -1.623 0 N-CA-C 107.694 -1.225 . . . . 0.0 107.694 177.519 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 28.5 m80 -147.94 179.92 7.37 Favored 'General case' 0 C--O 1.246 0.891 0 N-CA-C 108.615 -0.883 . . . . 0.0 108.615 177.579 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 57.5 m-70 . . . . . 0 N--CA 1.416 -2.142 0 N-CA-C 108.471 -0.937 . . . . 0.0 108.471 174.213 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 48.3 ttm . . . . . 0 C--O 1.222 -0.342 0 N-CA-C 108.312 -0.996 . . . . 0.0 108.312 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . 0.408 ' HB3' HG23 ' A' ' 4' ' ' THR . 92.7 m-20 -133.37 125.34 28.94 Favored 'General case' 0 C--N 1.315 -0.924 0 N-CA-C 110.075 -0.343 . . . . 0.0 110.075 -177.378 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 33.8 m -67.25 -25.55 34.04 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.621 0 O-C-N 123.021 0.2 . . . . 0.0 111.339 179.151 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' THR . . . . . 0.408 HG23 ' HB3' ' A' ' 2' ' ' ASN . 10.5 t -61.37 -33.08 73.06 Favored 'General case' 0 CA--C 1.541 0.625 0 CA-C-O 121.14 0.495 . . . . 0.0 110.703 178.178 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . 0.499 ' O ' ' HG3' ' A' ' 9' ' ' ARG 0.262 57.7 mmtt -77.73 -27.09 50.42 Favored 'General case' 0 N--CA 1.436 -1.163 0 N-CA-C 112.457 0.54 . . . . 0.0 112.457 176.467 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.429 ' O ' HG13 ' A' ' 10' ' ' ILE . 32.8 tp -68.38 -43.12 78.06 Favored 'General case' 0 C--N 1.321 -0.65 0 N-CA-C 108.033 -1.099 . . . . 0.0 108.033 172.833 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 11.1 m120 -57.02 -42.85 81.15 Favored 'General case' 0 N--CA 1.478 0.934 0 CA-C-O 121.616 0.722 . . . . 0.0 109.602 174.213 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . 0.45 ' HB3' ' O ' ' A' ' 5' ' ' LYS . 10.2 t70 -56.5 -41.99 77.61 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 114.605 -1.179 . . . . 0.0 110.892 177.702 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . 0.499 ' HG3' ' O ' ' A' ' 5' ' ' LYS . 82.9 mtp180 -64.99 -41.44 95.4 Favored 'General case' 0 N--CA 1.467 0.391 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.061 179.332 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.519 ' O ' ' HG3' ' A' ' 14' ' ' LYS . 65.6 mt -60.36 -42.16 89.87 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-N 115.611 -0.722 . . . . 0.0 109.441 178.855 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 13.8 tp10 -59.34 -42.97 92.75 Favored 'General case' 0 C--O 1.243 0.743 0 CA-C-N 115.116 -0.947 . . . . 0.0 111.331 -177.543 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -72.95 -26.9 61.54 Favored 'General case' 0 C--N 1.316 -0.888 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.66 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 14.1 mmmm -76.68 -31.28 57.17 Favored 'General case' 0 C--N 1.31 -1.116 0 C-N-CA 120.242 -0.583 . . . . 0.0 110.699 -179.584 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.519 ' HG3' ' O ' ' A' ' 10' ' ' ILE . 92.7 mttt -59.53 -53.38 58.8 Favored 'General case' 0 CA--C 1.517 -0.326 0 N-CA-C 108.87 -0.789 . . . . 0.0 108.87 175.07 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.551 ' HD3' ' N ' ' A' ' 16' ' ' GLU . 0.0 OUTLIER -65.05 -33.93 77.21 Favored 'General case' 0 N--CA 1.449 -0.491 0 CA-C-N 115.49 -0.777 . . . . 0.0 112.268 -176.346 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . 0.551 ' N ' ' HD3' ' A' ' 15' ' ' LYS . 40.3 tt0 -69.18 -43.44 74.21 Favored 'General case' 0 N--CA 1.439 -0.983 0 N-CA-C 109.171 -0.677 . . . . 0.0 109.171 179.047 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.467 ' O ' HG21 ' A' ' 21' ' ' VAL . 3.4 tm? -59.53 -48.17 82.68 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.866 -0.606 . . . . 0.0 109.583 178.701 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . 0.495 ' O ' ' HG2' ' A' ' 22' ' ' GLU . 86.9 mt -55.68 -49.32 74.93 Favored 'Isoleucine or valine' 0 C--O 1.238 0.484 0 O-C-N 123.495 0.497 . . . . 0.0 110.166 179.133 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 86.8 t80 -59.86 -40.21 87.84 Favored 'General case' 0 C--O 1.243 0.737 0 O-C-N 124.005 0.816 . . . . 0.0 111.019 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.48 ' HG ' ' O ' ' A' ' 16' ' ' GLU . 92.6 mt -71.0 -33.62 70.56 Favored 'General case' 0 C--N 1.314 -0.978 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.366 179.698 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.467 HG21 ' O ' ' A' ' 17' ' ' LEU . 81.3 t -68.26 -33.48 60.8 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.744 0 N-CA-C 109.821 -0.437 . . . . 0.0 109.821 175.716 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . 0.495 ' HG2' ' O ' ' A' ' 18' ' ' ILE . 23.6 mm-40 -62.15 -48.78 78.57 Favored 'General case' 0 C--N 1.318 -0.784 0 CA-C-O 121.437 0.637 . . . . 0.0 109.977 177.016 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 34.4 mmtp -82.69 -41.77 18.92 Favored 'General case' 0 C--N 1.317 -0.81 0 N-CA-C 114.175 1.176 . . . . 0.0 114.175 -175.252 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . 0.441 ' HB3' ' CE1' ' A' ' 28' ' ' HIS . 98.3 m-85 -99.0 -41.85 7.38 Favored 'General case' 0 C--N 1.298 -1.666 0 N-CA-C 112.193 0.442 . . . . 0.0 112.193 -175.893 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 97.57 136.73 9.28 Favored Glycine 0 C--N 1.303 -1.288 0 C-N-CA 120.774 -0.727 . . . . 0.0 111.622 -178.068 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 26.5 t80 -84.0 92.42 7.84 Favored 'General case' 0 N--CA 1.433 -1.283 0 N-CA-C 108.598 -0.89 . . . . 0.0 108.598 -178.418 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 7.4 t -159.68 -41.21 0.05 Allowed 'General case' 0 C--N 1.297 -1.707 0 CA-C-N 115.701 -0.682 . . . . 0.0 110.488 178.445 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . 0.441 ' CE1' ' HB3' ' A' ' 24' ' ' TYR . 3.0 p-80 -87.07 159.79 18.81 Favored 'General case' 0 C--O 1.25 1.127 0 C-N-CA 120.298 -0.561 . . . . 0.0 111.372 179.411 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 57.8 m80 -56.68 -39.51 73.92 Favored 'General case' 0 N--CA 1.475 0.793 0 C-N-CA 124.196 0.998 . . . . 0.0 113.098 -172.323 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.414 ' HB3' ' CD2' ' A' ' 28' ' ' HIS . 53.9 tttp -49.95 -49.88 48.59 Favored 'General case' 0 C--O 1.252 1.23 0 O-C-N 123.809 0.693 . . . . 0.0 111.652 -179.266 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.515 ' HA ' ' CD2' ' A' ' 34' ' ' PHE . 70.3 t -73.22 -39.6 56.45 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.587 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.221 -177.732 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 61.8 mt -64.03 -36.61 77.42 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.699 0 CA-C-O 121.215 0.531 . . . . 0.0 110.072 -179.462 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 49.4 m -65.16 -28.17 69.22 Favored 'General case' 0 N--CA 1.443 -0.803 0 CA-C-N 115.943 -0.571 . . . . 0.0 111.536 177.824 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . 0.515 ' CD2' ' HA ' ' A' ' 31' ' ' VAL . 24.1 m-85 -69.62 -38.29 77.18 Favored 'General case' 0 C--N 1.344 0.328 0 N-CA-C 109.682 -0.488 . . . . 0.0 109.682 177.264 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 29.2 m -63.66 -32.31 73.75 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-O 121.086 0.469 . . . . 0.0 110.763 177.932 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . 0.438 ' O ' ' HG2' ' A' ' 40' ' ' ARG . 78.8 mt-30 -64.95 -31.54 72.82 Favored 'General case' 0 N--CA 1.451 -0.4 0 CA-C-N 115.817 -0.629 . . . . 0.0 110.26 176.711 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . 0.477 ' O ' ' HG ' ' A' ' 41' ' ' LEU . 51.7 mt-10 -64.42 -45.16 88.76 Favored 'General case' 0 C--O 1.224 -0.247 0 N-CA-C 108.66 -0.867 . . . . 0.0 108.66 177.635 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -59.91 -40.95 90.59 Favored 'General case' 0 N--CA 1.475 0.788 0 CA-C-N 115.746 -0.661 . . . . 0.0 110.811 177.545 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 12.2 t70 -56.5 -45.03 81.23 Favored 'General case' 0 C--O 1.245 0.852 0 CA-C-N 115.28 -0.873 . . . . 0.0 110.545 177.442 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . 0.518 ' O ' ' HG ' ' A' ' 44' ' ' LEU . 14.7 mmm180 -73.05 -43.1 62.4 Favored 'General case' 0 N--CA 1.445 -0.688 0 CA-C-N 115.598 -0.728 . . . . 0.0 111.017 -178.321 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.477 ' HG ' ' O ' ' A' ' 37' ' ' GLU . 92.9 mt -61.24 -42.81 99.27 Favored 'General case' 0 C--N 1.33 -0.27 0 O-C-N 123.092 0.245 . . . . 0.0 110.863 -179.544 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 58.4 tp -58.65 -43.08 89.67 Favored 'General case' 0 N--CA 1.464 0.252 0 CA-C-O 121.256 0.55 . . . . 0.0 110.236 175.38 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 3.2 t-20 -69.0 -32.88 72.75 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 115.767 -0.651 . . . . 0.0 110.719 -178.098 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.518 ' HG ' ' O ' ' A' ' 40' ' ' ARG . 81.1 mt -58.01 -33.11 68.59 Favored 'General case' 0 N--CA 1.471 0.622 0 N-CA-C 112.446 0.536 . . . . 0.0 112.446 -179.251 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 88.3 mt -60.6 -48.19 82.88 Favored 'General case' 0 N--CA 1.468 0.442 0 CA-C-O 121.749 0.785 . . . . 0.0 109.309 177.612 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 35.8 mt -69.38 -46.73 76.04 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.124 0 CA-C-N 114.416 -1.265 . . . . 0.0 109.018 -178.534 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . 0.422 ' O ' ' HG3' ' A' ' 51' ' ' LYS . 3.7 tm-20 -57.23 -47.19 81.96 Favored 'General case' 0 C--N 1.312 -1.031 0 C-N-CA 124.466 1.107 . . . . 0.0 110.295 -177.604 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -52.02 -50.85 60.59 Favored 'General case' 0 N--CA 1.482 1.127 0 C-N-CA 124.364 1.066 . . . . 0.0 111.55 -176.306 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 20.3 ptmt -72.72 -31.39 64.95 Favored 'General case' 0 C--N 1.309 -1.185 0 CA-C-N 116.468 -0.333 . . . . 0.0 111.89 179.799 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 77.5 m -72.69 -17.85 61.6 Favored 'General case' 0 CA--C 1.563 1.471 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.476 -177.801 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . 0.422 ' HG3' ' O ' ' A' ' 47' ' ' GLU . 23.5 mtpp -62.71 -23.55 67.21 Favored 'General case' 0 N--CA 1.478 0.941 0 C-N-CA 122.621 0.369 . . . . 0.0 110.541 179.664 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 19.0 ptpt 53.33 15.74 0.73 Allowed 'General case' 0 N--CA 1.487 1.395 0 C-N-CA 126.883 2.073 . . . . 0.0 113.889 -179.897 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 56.2 pttt -97.99 5.63 48.59 Favored 'General case' 0 C--N 1.309 -1.191 0 CA-C-O 121.544 0.688 . . . . 0.0 109.494 177.848 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 22.4 mmm180 -67.68 146.93 53.33 Favored 'General case' 0 N--CA 1.435 -1.217 0 CA-C-N 114.875 -1.057 . . . . 0.0 108.408 174.937 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 97.5 m-85 -59.47 -24.49 63.62 Favored 'General case' 0 C--N 1.312 -1.063 0 N-CA-C 113.478 0.918 . . . . 0.0 113.478 -172.381 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 3.6 p -69.59 -13.16 62.18 Favored 'General case' 0 C--N 1.317 -0.833 0 C-N-CA 124.131 0.973 . . . . 0.0 112.407 177.917 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -97.1 -7.21 33.26 Favored 'General case' 0 C--N 1.316 -0.856 0 CA-C-O 121.066 0.46 . . . . 0.0 110.588 178.501 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -102.35 -73.13 0.67 Allowed 'General case' 0 N--CA 1.435 -1.204 0 N-CA-C 109.169 -0.678 . . . . 0.0 109.169 177.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 30.7 mt-10 35.92 66.98 0.32 Allowed 'General case' 0 N--CA 1.465 0.307 0 C-N-CA 125.99 1.716 . . . . 0.0 112.83 -177.713 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 36.5 m80 -92.09 -0.24 57.45 Favored 'General case' 0 CA--C 1.504 -0.802 0 CA-C-N 115.083 -0.962 . . . . 0.0 111.926 -176.677 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 12.9 p80 -78.34 106.72 10.46 Favored 'General case' 0 C--N 1.302 -1.479 0 N-CA-C 107.549 -1.278 . . . . 0.0 107.549 173.818 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 36.4 m80 -109.25 111.05 22.42 Favored 'General case' 0 C--N 1.302 -1.489 0 CA-C-O 121.433 0.635 . . . . 0.0 112.403 -172.942 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 11.3 t60 -89.0 90.06 8.25 Favored 'General case' 0 C--N 1.303 -1.439 0 N-CA-C 108.309 -0.997 . . . . 0.0 108.309 176.316 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 99.0 m-70 . . . . . 0 N--CA 1.424 -1.75 0 N-CA-C 107.571 -1.27 . . . . 0.0 107.571 177.208 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 CA--C 1.502 -0.868 0 N-CA-C 110.417 -0.216 . . . . 0.0 110.417 . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . 0.446 ' O ' ' HG2' ' A' ' 5' ' ' LYS . 86.4 m-20 -79.98 158.23 26.63 Favored 'General case' 0 C--N 1.315 -0.927 0 O-C-N 124.073 0.858 . . . . 0.0 110.025 -177.085 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 33.1 m -69.23 -21.79 25.4 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.584 0 N-CA-C 112.449 0.537 . . . . 0.0 112.449 -177.327 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 10.3 t -55.71 -27.44 50.43 Favored 'General case' 0 CA--C 1.548 0.884 0 C-N-CA 123.466 0.706 . . . . 0.0 112.153 179.657 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . 0.537 ' O ' ' HG3' ' A' ' 9' ' ' ARG . 62.7 pttt -58.65 -34.58 71.37 Favored 'General case' 0 C--O 1.22 -0.497 0 CA-C-O 121.096 0.474 . . . . 0.0 110.32 -179.705 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.553 ' O ' HG13 ' A' ' 10' ' ' ILE . 42.0 tp -68.33 -45.73 72.11 Favored 'General case' 0 N--CA 1.44 -0.949 0 CA-C-N 115.806 -0.634 . . . . 0.0 109.652 -176.574 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 9.1 t30 -65.74 -35.12 79.82 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.513 -179.194 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . 0.45 ' O ' ' HB2' ' A' ' 11' ' ' GLU . 21.6 t70 -69.51 -36.73 76.72 Favored 'General case' 0 C--O 1.24 0.554 0 CA-C-N 115.857 -0.61 . . . . 0.0 110.38 179.319 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . 0.537 ' HG3' ' O ' ' A' ' 5' ' ' LYS . 71.7 mtp180 -70.21 -31.48 68.94 Favored 'General case' 0 C--N 1.325 -0.468 0 C-N-CA 120.776 -0.369 . . . . 0.0 110.523 177.942 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.553 HG13 ' O ' ' A' ' 6' ' ' LEU . 73.3 mt -63.22 -43.51 98.79 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.224 0 N-CA-C 109.144 -0.687 . . . . 0.0 109.144 175.463 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . 0.45 ' HB2' ' O ' ' A' ' 8' ' ' ASP . 24.3 mm-40 -49.72 -48.6 49.88 Favored 'General case' 0 N--CA 1.483 1.216 0 C-N-CA 123.461 0.704 . . . . 0.0 110.623 176.027 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -69.28 -30.02 68.04 Favored 'General case' 0 C--N 1.307 -1.255 0 CA-C-N 115.154 -0.93 . . . . 0.0 112.029 -178.34 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 75.7 tttt -77.49 -30.71 53.18 Favored 'General case' 0 N--CA 1.445 -0.678 0 CA-C-O 121.651 0.738 . . . . 0.0 109.543 -171.694 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.494 ' O ' HG13 ' A' ' 18' ' ' ILE . 44.2 mtmt -71.18 -37.87 72.14 Favored 'General case' 0 C--N 1.306 -1.313 0 CA-C-N 114.813 -1.085 . . . . 0.0 110.075 178.155 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 51.7 mtpt -76.41 -30.04 57.3 Favored 'General case' 0 C--O 1.239 0.534 0 CA-C-O 121.114 0.483 . . . . 0.0 110.297 179.006 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 6.8 tp10 -63.39 -45.14 92.42 Favored 'General case' 0 C--N 1.319 -0.74 0 N-CA-C 107.637 -1.246 . . . . 0.0 107.637 175.077 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.485 ' O ' HG22 ' A' ' 21' ' ' VAL . 31.6 tp -65.42 -34.04 77.35 Favored 'General case' 0 N--CA 1.439 -0.989 0 CA-C-N 114.804 -1.089 . . . . 0.0 110.661 -179.375 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . 0.494 HG13 ' O ' ' A' ' 14' ' ' LYS . 75.0 mt -58.19 -44.18 87.24 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.624 0 N-CA-C 109.539 -0.541 . . . . 0.0 109.539 175.145 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 91.5 t80 -61.68 -37.3 83.59 Favored 'General case' 0 CA--C 1.542 0.64 0 CA-C-O 121.551 0.691 . . . . 0.0 110.725 179.134 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.424 HD12 ' CD2' ' A' ' 34' ' ' PHE . 81.8 mt -71.24 -37.38 71.99 Favored 'General case' 0 C--N 1.305 -1.358 0 CA-C-N 115.624 -0.716 . . . . 0.0 111.086 179.087 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.485 HG22 ' O ' ' A' ' 17' ' ' LEU . 63.3 t -70.46 -34.69 58.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 N-CA-C 109.599 -0.519 . . . . 0.0 109.599 177.25 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 2.9 tm-20 -60.71 -52.87 63.26 Favored 'General case' 0 N--CA 1.418 -2.035 0 C-N-CA 124.12 0.968 . . . . 0.0 109.344 177.488 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 33.4 mmtm -82.92 -30.53 28.35 Favored 'General case' 0 C--N 1.318 -0.763 0 N-CA-C 116.626 2.084 . . . . 0.0 116.626 -177.002 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 36.7 m-85 -105.96 -48.6 3.58 Favored 'General case' 0 C--N 1.302 -1.459 0 C-N-CA 120.263 -0.575 . . . . 0.0 112.079 179.773 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 122.39 -173.06 15.87 Favored Glycine 0 C--N 1.291 -1.943 0 N-CA-C 109.392 -1.483 . . . . 0.0 109.392 -174.536 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 51.6 p90 -100.08 -12.4 19.71 Favored 'General case' 0 C--N 1.309 -1.168 0 CA-C-N 118.009 0.904 . . . . 0.0 111.635 -179.54 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 15.4 p -93.38 17.77 10.81 Favored 'General case' 0 C--N 1.313 -1.021 0 CA-C-O 121.154 0.502 . . . . 0.0 111.468 -178.805 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 15.7 t60 -101.22 130.9 47.41 Favored 'General case' 0 C--N 1.304 -1.404 0 N-CA-C 108.331 -0.988 . . . . 0.0 108.331 -177.312 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 52.0 t-80 -58.13 -38.97 77.55 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 112.95 0.722 . . . . 0.0 112.95 -175.012 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 90.4 mttt -56.86 -45.6 82.35 Favored 'General case' 0 N--CA 1.484 1.274 0 N-CA-C 109.406 -0.59 . . . . 0.0 109.406 178.643 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 99.5 t -58.84 -43.88 89.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 CA-C-N 115.364 -0.834 . . . . 0.0 110.432 -179.489 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 68.8 mt -66.18 -36.46 77.46 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.737 0 CA-C-N 116.005 -0.543 . . . . 0.0 109.993 178.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 46.7 t -65.77 -41.76 91.66 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.25 177.357 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . 0.424 ' CD2' HD12 ' A' ' 20' ' ' LEU . 68.0 m-85 -70.68 -36.63 73.42 Favored 'General case' 0 C--N 1.327 -0.377 0 C-N-CA 120.392 -0.523 . . . . 0.0 110.742 178.474 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 22.8 t -61.57 -47.01 87.45 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.277 -178.784 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 11.3 pt20 -68.05 -30.1 69.22 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 121.21 0.528 . . . . 0.0 111.444 179.618 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 35.4 mm-40 -72.92 -33.21 65.83 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.343 0.592 . . . . 0.0 110.134 177.111 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 5.8 tt -70.77 -42.25 70.66 Favored 'General case' 0 C--N 1.312 -1.063 0 N-CA-C 107.612 -1.255 . . . . 0.0 107.612 177.83 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 27.8 t70 -56.81 -45.98 81.91 Favored 'General case' 0 C--N 1.317 -0.845 0 CA-C-N 115.021 -0.99 . . . . 0.0 110.382 177.744 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 22.9 tpp180 -65.33 -35.4 80.89 Favored 'General case' 0 CA--C 1.543 0.683 0 CA-C-N 115.695 -0.684 . . . . 0.0 111.139 177.204 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 38.9 tp -66.61 -39.46 88.35 Favored 'General case' 0 N--CA 1.444 -0.743 0 N-CA-C 109.45 -0.574 . . . . 0.0 109.45 -179.245 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 57.4 tp -67.72 -35.13 78.2 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.536 -0.756 . . . . 0.0 110.398 178.107 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 13.3 m120 -58.28 -34.65 70.75 Favored 'General case' 0 N--CA 1.478 0.927 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.603 178.074 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 87.7 mt -57.18 -32.97 66.98 Favored 'General case' 0 C--O 1.22 -0.448 0 N-CA-C 113.0 0.741 . . . . 0.0 113.0 -177.351 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 94.1 mt -61.45 -43.1 99.46 Favored 'General case' 0 C--O 1.243 0.732 0 CA-C-O 121.454 0.645 . . . . 0.0 110.01 178.464 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 2.9 mp -73.9 -49.03 36.5 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.146 0 CA-C-N 115.479 -0.782 . . . . 0.0 109.268 179.329 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . 0.582 ' O ' ' HG2' ' A' ' 51' ' ' LYS . 68.1 mm-40 -60.99 -40.12 92.26 Favored 'General case' 0 C--N 1.314 -0.936 0 N-CA-C 113.895 1.072 . . . . 0.0 113.895 -175.464 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -63.4 -46.14 87.8 Favored 'General case' 0 C--N 1.328 -0.351 0 O-C-N 123.634 0.584 . . . . 0.0 110.568 -177.565 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 9.6 ptpp? -70.63 -31.87 68.98 Favored 'General case' 0 C--N 1.325 -0.485 0 C-N-CA 119.983 -0.687 . . . . 0.0 110.682 179.544 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 41.5 m -70.91 -17.61 62.69 Favored 'General case' 0 CA--C 1.562 1.441 0 CA-C-O 121.145 0.498 . . . . 0.0 110.788 -179.849 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . 0.582 ' HG2' ' O ' ' A' ' 47' ' ' GLU . 0.0 OUTLIER -66.28 -16.35 63.96 Favored 'General case' 0 N--CA 1.472 0.669 0 C-N-CA 122.696 0.398 . . . . 0.0 110.872 177.33 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 25.3 pttm 56.93 9.9 0.69 Allowed 'General case' 0 N--CA 1.497 1.91 0 C-N-CA 126.398 1.879 . . . . 0.0 114.274 176.847 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -93.45 19.38 8.44 Favored 'General case' 0 C--N 1.314 -0.967 0 CA-C-O 122.433 1.111 . . . . 0.0 110.867 -179.142 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 22.8 mmm180 -121.03 141.39 50.79 Favored 'General case' 0 C--N 1.304 -1.4 0 N-CA-C 106.81 -1.552 . . . . 0.0 106.81 175.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 41.3 t80 -78.2 -8.88 58.86 Favored 'General case' 0 N--CA 1.43 -1.464 0 N-CA-C 109.787 -0.449 . . . . 0.0 109.787 -178.4 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 4.8 m -51.54 -31.71 25.21 Favored 'General case' 0 CA--C 1.544 0.735 0 C-N-CA 124.659 1.184 . . . . 0.0 111.988 179.502 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 6.3 mp -67.09 -29.89 69.78 Favored 'General case' 0 N--CA 1.465 0.293 0 CA-C-O 121.011 0.434 . . . . 0.0 111.18 -179.625 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -90.28 -14.85 32.43 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-O 121.477 0.656 . . . . 0.0 109.695 -179.446 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -91.35 -5.74 54.07 Favored 'General case' 0 C--N 1.308 -1.212 0 CA-C-N 115.395 -0.82 . . . . 0.0 108.865 176.683 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 59.8 t-80 -89.24 91.36 8.74 Favored 'General case' 0 N--CA 1.43 -1.452 0 CA-C-N 114.942 -1.026 . . . . 0.0 108.255 179.156 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 48.0 t-80 -90.2 131.77 35.85 Favored 'General case' 0 C--N 1.299 -1.607 0 N-CA-C 107.724 -1.213 . . . . 0.0 107.724 177.649 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 19.7 t60 -159.46 -51.36 0.06 Allowed 'General case' 0 C--N 1.305 -1.341 0 CA-C-O 121.023 0.439 . . . . 0.0 109.913 -178.42 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 33.0 p-80 -96.6 -179.1 4.49 Favored 'General case' 0 C--N 1.306 -1.326 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.325 -175.535 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 53.8 t-80 . . . . . 0 C--O 1.268 2.043 0 N-CA-C 107.314 -1.365 . . . . 0.0 107.314 178.062 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 14.4 tpt . . . . . 0 CA--C 1.514 -0.435 0 N-CA-C 109.868 -0.419 . . . . 0.0 109.868 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 4.5 m-20 -58.42 139.96 54.57 Favored 'General case' 0 C--O 1.253 1.272 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.218 178.303 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 33.3 m -55.57 -28.51 23.07 Favored 'Isoleucine or valine' 0 C--O 1.211 -0.94 0 N-CA-C 114.56 1.319 . . . . 0.0 114.56 -170.273 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 8.9 t -54.96 -38.7 68.1 Favored 'General case' 0 CA--C 1.56 1.33 0 CA-C-O 121.151 0.501 . . . . 0.0 111.505 179.656 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 73.2 mmtt -79.01 -27.68 43.27 Favored 'General case' 0 C--O 1.24 0.583 0 CA-C-O 120.964 0.411 . . . . 0.0 111.795 179.351 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.471 ' O ' HG13 ' A' ' 10' ' ' ILE . 26.2 tp -72.95 -47.82 42.16 Favored 'General case' 0 C--N 1.314 -0.965 0 N-CA-C 108.224 -1.028 . . . . 0.0 108.224 178.754 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 13.6 m120 -58.18 -43.9 87.73 Favored 'General case' 0 N--CA 1.469 0.521 0 CA-C-N 115.455 -0.793 . . . . 0.0 111.236 177.194 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 21.0 t70 -55.59 -44.15 76.68 Favored 'General case' 0 N--CA 1.473 0.696 0 CA-C-N 115.833 -0.621 . . . . 0.0 111.857 178.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 59.0 mtm180 -68.64 -32.1 71.71 Favored 'General case' 0 C--N 1.317 -0.839 0 N-CA-C 112.459 0.541 . . . . 0.0 112.459 179.126 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.514 ' O ' ' HG3' ' A' ' 14' ' ' LYS . 60.6 mt -66.71 -45.86 87.14 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.581 0 N-CA-C 108.369 -0.974 . . . . 0.0 108.369 177.177 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 5.3 tp10 -57.98 -49.27 77.37 Favored 'General case' 0 C--O 1.256 1.438 0 CA-C-N 114.868 -1.06 . . . . 0.0 109.505 -179.45 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -59.91 -37.08 78.41 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 114.661 -1.154 . . . . 0.0 111.701 179.703 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 29.0 mmtm -71.6 -31.63 67.12 Favored 'General case' 0 CA--C 1.504 -0.823 0 N-CA-C 111.994 0.368 . . . . 0.0 111.994 -177.062 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.514 ' HG3' ' O ' ' A' ' 10' ' ' ILE . 88.9 mttt -61.45 -51.15 69.91 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-O 121.656 0.741 . . . . 0.0 109.387 178.02 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 72.2 mmtt -71.08 -27.32 63.53 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 114.951 -1.022 . . . . 0.0 110.726 -175.37 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 35.8 tt0 -78.1 -36.76 47.66 Favored 'General case' 0 C--N 1.31 -1.134 0 CA-C-N 115.182 -0.917 . . . . 0.0 108.987 -176.642 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 13.6 mt -61.05 -40.02 92.03 Favored 'General case' 0 N--CA 1.43 -1.454 0 CA-C-N 115.092 -0.958 . . . . 0.0 111.047 174.855 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . 0.509 ' O ' ' HG3' ' A' ' 22' ' ' GLU . 76.0 mt -57.25 -45.49 84.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 123.655 0.597 . . . . 0.0 109.909 177.155 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 79.1 t80 -59.11 -49.11 79.14 Favored 'General case' 0 C--O 1.236 0.355 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.635 177.003 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 79.0 mt -63.62 -41.68 98.27 Favored 'General case' 0 C--N 1.314 -0.943 0 CA-C-N 115.985 -0.552 . . . . 0.0 111.211 -178.191 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 71.2 t -60.97 -44.75 98.75 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.663 0 CA-C-N 116.513 -0.312 . . . . 0.0 110.78 175.84 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . 0.509 ' HG3' ' O ' ' A' ' 18' ' ' ILE . 29.2 mt-10 -67.98 -31.73 71.64 Favored 'General case' 0 C--N 1.316 -0.871 0 C-N-CA 120.56 -0.456 . . . . 0.0 111.82 -179.458 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 14.3 mmmm -82.83 -48.11 11.13 Favored 'General case' 0 C--N 1.317 -0.81 0 N-CA-C 113.666 0.987 . . . . 0.0 113.666 179.667 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 67.0 m-85 -108.19 -36.89 6.17 Favored 'General case' 0 C--N 1.309 -1.181 0 N-CA-C 112.191 0.441 . . . . 0.0 112.191 -173.297 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 115.66 -159.65 13.71 Favored Glycine 0 C--N 1.294 -1.787 0 N-CA-C 110.836 -0.906 . . . . 0.0 110.836 -175.538 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 98.2 m-85 -102.86 -15.63 16.15 Favored 'General case' 0 C--N 1.315 -0.917 0 N-CA-C 111.691 0.256 . . . . 0.0 111.691 -178.119 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 7.4 m -82.18 -18.67 41.89 Favored 'General case' 0 C--N 1.317 -0.826 0 CA-C-O 121.353 0.597 . . . . 0.0 110.893 -174.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 44.7 t60 -59.52 122.94 15.29 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-N 115.46 -0.791 . . . . 0.0 110.959 -179.114 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 77.3 m-70 -54.52 -43.45 71.92 Favored 'General case' 0 N--CA 1.473 0.684 0 C-N-CA 124.579 1.152 . . . . 0.0 112.79 -174.198 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 68.1 mttm -64.31 -37.74 88.56 Favored 'General case' 0 C--O 1.218 -0.562 0 C-N-CA 120.938 -0.305 . . . . 0.0 110.805 179.767 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 92.9 t -61.91 -45.91 97.65 Favored 'Isoleucine or valine' 0 C--O 1.238 0.47 0 N-CA-C 109.491 -0.559 . . . . 0.0 109.491 -179.793 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.4 ' O ' ' HG3' ' A' ' 36' ' ' GLN . 60.5 mt -60.49 -46.68 95.0 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.616 0 CA-C-N 115.492 -0.777 . . . . 0.0 109.055 177.374 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 43.1 m -59.74 -40.58 88.54 Favored 'General case' 0 CA--C 1.55 0.967 0 CA-C-N 115.585 -0.734 . . . . 0.0 112.048 179.781 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 32.3 m-85 -73.21 -30.46 63.52 Favored 'General case' 0 C--O 1.227 -0.118 0 O-C-N 122.112 -0.367 . . . . 0.0 111.176 178.441 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 41.2 m -64.31 -39.48 93.98 Favored 'General case' 0 C--O 1.243 0.72 0 N-CA-C 109.146 -0.687 . . . . 0.0 109.146 176.38 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . 0.4 ' HG3' ' O ' ' A' ' 32' ' ' ILE . 89.8 mt-30 -70.18 -34.1 72.55 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 114.873 -1.058 . . . . 0.0 109.925 177.415 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 7.3 tp10 -65.33 -49.92 67.6 Favored 'General case' 0 C--N 1.33 -0.281 0 C-N-CA 123.478 0.711 . . . . 0.0 109.325 178.481 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 5.8 tt -58.38 -46.24 86.73 Favored 'General case' 0 N--CA 1.469 0.51 0 C-N-CA 123.896 0.878 . . . . 0.0 109.183 179.406 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 20.8 t70 -59.57 -41.28 89.83 Favored 'General case' 0 C--O 1.241 0.652 0 CA-C-N 115.359 -0.837 . . . . 0.0 110.755 178.677 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . 0.485 ' O ' ' HG ' ' A' ' 44' ' ' LEU . 31.6 tpt180 -69.2 -40.25 78.13 Favored 'General case' 0 C--N 1.316 -0.863 0 CA-C-N 115.319 -0.855 . . . . 0.0 110.54 179.147 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 98.1 mt -61.25 -43.18 99.29 Favored 'General case' 0 N--CA 1.469 0.485 0 N-CA-C 110.06 -0.348 . . . . 0.0 110.06 177.873 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 51.4 tp -61.21 -44.11 97.81 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.452 0.644 . . . . 0.0 109.412 175.747 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 22.4 t-20 -63.7 -26.34 68.61 Favored 'General case' 0 C--O 1.209 -1.042 0 CA-C-N 115.3 -0.864 . . . . 0.0 111.776 -179.76 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.503 ' O ' ' HG ' ' A' ' 48' ' ' LEU . 80.3 mt -64.44 -39.1 93.18 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-O 120.825 0.345 . . . . 0.0 110.142 176.203 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 92.0 mt -67.29 -39.69 86.0 Favored 'General case' 0 C--O 1.238 0.487 0 N-CA-C 109.243 -0.651 . . . . 0.0 109.243 176.926 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 71.0 mt -64.03 -48.46 85.83 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.675 0 CA-C-N 114.891 -1.05 . . . . 0.0 109.999 178.758 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . 0.493 ' O ' ' HG3' ' A' ' 51' ' ' LYS . 22.4 mm-40 -61.87 -33.42 74.16 Favored 'General case' 0 CA--C 1.501 -0.923 0 N-CA-C 113.823 1.046 . . . . 0.0 113.823 -179.347 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.503 ' HG ' ' O ' ' A' ' 44' ' ' LEU . 34.0 mt -59.5 -42.12 91.45 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-O 121.3 0.572 . . . . 0.0 110.363 175.444 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 58.9 mttp -72.94 -32.76 65.49 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 115.092 -0.958 . . . . 0.0 110.857 177.701 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 59.7 m -61.95 -44.0 97.68 Favored 'General case' 0 CA--C 1.53 0.209 0 CA-C-O 121.192 0.52 . . . . 0.0 109.681 176.533 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . 0.493 ' HG3' ' O ' ' A' ' 47' ' ' GLU . 66.5 mttm -68.1 -48.11 66.36 Favored 'General case' 0 N--CA 1.438 -1.049 0 CA-C-N 115.543 -0.753 . . . . 0.0 109.506 178.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 14.5 ptmm? 56.0 0.23 0.05 Allowed 'General case' 0 N--CA 1.499 1.996 0 C-N-CA 127.027 2.131 . . . . 0.0 114.678 -179.927 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . 0.455 ' H ' ' C ' ' A' ' 51' ' ' LYS . 20.5 ptmt -95.77 18.98 12.01 Favored 'General case' 0 C--N 1.295 -1.796 0 C-N-CA 123.904 0.882 . . . . 0.0 109.211 178.824 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 27.3 mmm180 -89.07 142.67 27.44 Favored 'General case' 0 N--CA 1.423 -1.823 0 CA-C-N 114.869 -1.06 . . . . 0.0 108.717 -179.457 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 11.7 p90 -47.39 -19.51 0.17 Allowed 'General case' 0 N--CA 1.479 0.985 0 C-N-CA 125.921 1.688 . . . . 0.0 114.242 178.707 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 5.2 p -68.1 -16.88 64.2 Favored 'General case' 0 CA--C 1.547 0.839 0 C-N-CA 123.565 0.746 . . . . 0.0 112.337 -178.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 69.7 mt -103.48 -1.09 29.0 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.358 0.599 . . . . 0.0 110.379 175.81 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 6.7 mp -106.96 -59.44 1.81 Allowed 'General case' 0 C--N 1.312 -1.063 0 N-CA-C 108.749 -0.834 . . . . 0.0 108.749 -178.395 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 35.6 mt-10 66.29 -65.33 0.2 Allowed 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 116.042 1.868 . . . . 0.0 116.042 172.012 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 7.8 t-80 -86.18 96.32 9.87 Favored 'General case' 0 C--N 1.281 -2.375 0 CA-C-O 121.511 0.672 . . . . 0.0 111.612 -172.456 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 38.8 m80 -117.38 170.26 8.85 Favored 'General case' 0 C--N 1.308 -1.209 0 CA-C-N 115.281 -0.872 . . . . 0.0 108.999 177.225 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . 0.338 5.4 p-80 47.46 78.59 0.07 Allowed 'General case' 0 N--CA 1.475 0.776 0 N-CA-C 114.208 1.188 . . . . 0.0 114.208 179.839 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 9.0 p80 -152.06 175.25 12.74 Favored 'General case' 0 C--N 1.304 -1.377 0 CA-C-N 114.503 -1.226 . . . . 0.0 108.23 -178.553 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 13.5 t-80 . . . . . 0 C--N 1.293 -1.865 0 N-CA-C 108.188 -1.041 . . . . 0.0 108.188 -179.172 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 23.9 mmt . . . . . 0 CA--C 1.506 -0.739 0 N-CA-C 108.586 -0.894 . . . . 0.0 108.586 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 1.8 m120 -97.85 163.74 12.67 Favored 'General case' 0 C--N 1.306 -1.3 0 N-CA-C 108.413 -0.958 . . . . 0.0 108.413 -173.683 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 28.6 m -67.3 -25.19 33.05 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.742 0 N-CA-C 111.985 0.365 . . . . 0.0 111.985 -178.738 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 10.1 t -66.63 -34.38 77.75 Favored 'General case' 0 CA--C 1.553 1.07 0 CA-C-O 120.808 0.337 . . . . 0.0 110.524 177.14 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 53.5 mttp -69.93 -38.41 76.21 Favored 'General case' 0 C--O 1.243 0.714 0 N-CA-C 109.472 -0.566 . . . . 0.0 109.472 177.172 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.402 ' O ' HG13 ' A' ' 10' ' ' ILE . 33.5 tp -63.52 -44.03 95.44 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 114.697 -1.138 . . . . 0.0 109.46 179.194 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . 0.443 ' O ' ' HB ' ' A' ' 10' ' ' ILE . 3.7 t-20 -63.18 -42.58 99.39 Favored 'General case' 0 N--CA 1.464 0.265 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.669 179.392 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 15.3 t70 -59.81 -38.29 81.54 Favored 'General case' 0 N--CA 1.478 0.932 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.275 178.469 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 79.2 mtp180 -63.98 -40.46 96.43 Favored 'General case' 0 N--CA 1.47 0.537 0 CA-C-N 115.887 -0.597 . . . . 0.0 109.978 176.81 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.443 ' HB ' ' O ' ' A' ' 7' ' ' ASN . 73.6 mt -59.27 -44.11 91.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-N 115.32 -0.855 . . . . 0.0 110.078 177.784 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 39.4 mt-10 -60.64 -37.49 81.66 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 116.015 -0.539 . . . . 0.0 111.532 -179.485 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -72.66 -37.0 68.08 Favored 'General case' 0 C--N 1.311 -1.082 0 CA-C-O 121.204 0.526 . . . . 0.0 110.54 178.723 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 48.0 mttm -72.94 -33.91 66.23 Favored 'General case' 0 C--N 1.321 -0.642 0 N-CA-C 112.112 0.412 . . . . 0.0 112.112 -178.685 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.529 ' O ' HG12 ' A' ' 18' ' ' ILE . 13.3 ptmm? -73.44 -29.53 62.61 Favored 'General case' 0 C--N 1.313 -0.998 0 C-N-CA 120.765 -0.374 . . . . 0.0 111.173 -179.258 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -71.86 -29.94 64.91 Favored 'General case' 0 C--O 1.241 0.642 0 CA-C-O 121.86 0.838 . . . . 0.0 110.453 176.305 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . 0.521 ' O ' ' HG ' ' A' ' 20' ' ' LEU . 12.6 tp10 -67.88 -43.96 78.16 Favored 'General case' 0 C--N 1.318 -0.785 0 N-CA-C 106.255 -1.757 . . . . 0.0 106.255 -179.635 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.459 ' O ' HG22 ' A' ' 21' ' ' VAL . 14.9 mt -54.84 -44.52 74.02 Favored 'General case' 0 C--O 1.207 -1.157 0 CA-C-N 113.778 -1.556 . . . . 0.0 112.433 176.387 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . 0.535 ' O ' ' HG3' ' A' ' 22' ' ' GLU . 34.9 mm -54.4 -50.15 59.54 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.818 0 O-C-N 123.869 0.731 . . . . 0.0 109.089 179.37 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 88.8 t80 -60.89 -47.39 86.6 Favored 'General case' 0 N--CA 1.447 -0.623 0 CA-C-N 114.785 -1.098 . . . . 0.0 110.598 179.485 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.521 ' HG ' ' O ' ' A' ' 16' ' ' GLU . 87.8 mt -62.33 -46.03 90.56 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 115.851 -0.613 . . . . 0.0 111.76 -178.448 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.459 HG22 ' O ' ' A' ' 17' ' ' LEU . 84.3 t -58.37 -43.0 85.48 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.467 0 C-N-CA 122.874 0.469 . . . . 0.0 111.306 179.107 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . 0.535 ' HG3' ' O ' ' A' ' 18' ' ' ILE . 49.7 mt-10 -66.13 -48.7 69.97 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-O 121.462 0.648 . . . . 0.0 110.959 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 46.1 mmtm -79.83 -41.2 26.86 Favored 'General case' 0 C--N 1.312 -1.028 0 N-CA-C 113.409 0.892 . . . . 0.0 113.409 -170.564 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 81.5 m-85 -99.47 -27.7 13.6 Favored 'General case' 0 C--N 1.312 -1.035 0 CA-C-O 120.917 0.389 . . . . 0.0 111.908 -176.836 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 116.32 146.96 8.73 Favored Glycine 0 C--N 1.303 -1.25 0 C-N-CA 120.279 -0.963 . . . . 0.0 112.101 178.83 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 30.5 p90 -73.71 -15.54 61.22 Favored 'General case' 0 N--CA 1.472 0.633 0 CA-C-O 121.704 0.764 . . . . 0.0 110.265 178.411 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 3.9 m -90.25 -3.55 57.74 Favored 'General case' 0 N--CA 1.436 -1.168 0 CA-C-N 115.064 -0.971 . . . . 0.0 109.788 179.614 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 14.6 t60 -79.41 109.69 14.01 Favored 'General case' 0 N--CA 1.44 -0.956 0 N-CA-C 108.216 -1.031 . . . . 0.0 108.216 -177.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 49.2 m80 -60.18 -31.04 69.75 Favored 'General case' 0 C--N 1.318 -0.784 0 N-CA-C 115.016 1.487 . . . . 0.0 115.016 -172.435 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 49.4 mmtm -64.31 -35.62 81.44 Favored 'General case' 0 C--N 1.323 -0.568 0 C-N-CA 119.653 -0.819 . . . . 0.0 110.483 175.934 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 57.9 t -69.17 -38.62 78.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 N-CA-C 108.863 -0.791 . . . . 0.0 108.863 177.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 65.0 mt -64.62 -37.04 79.06 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.661 0 CA-C-N 115.592 -0.731 . . . . 0.0 109.941 176.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 30.3 t -60.89 -41.99 97.14 Favored 'General case' 0 C--N 1.322 -0.6 0 N-CA-C 109.53 -0.544 . . . . 0.0 109.53 175.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 16.6 m-85 -68.11 -33.72 75.04 Favored 'General case' 0 N--CA 1.468 0.449 0 N-CA-C 109.916 -0.401 . . . . 0.0 109.916 178.446 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 21.8 t -64.39 -38.75 92.13 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-N 116.153 -0.476 . . . . 0.0 109.812 178.262 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 47.3 mt-30 -71.39 -34.02 70.01 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 121.301 0.572 . . . . 0.0 110.272 177.08 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 6.1 tm-20 -64.08 -43.26 95.98 Favored 'General case' 0 C--N 1.321 -0.664 0 N-CA-C 107.747 -1.205 . . . . 0.0 107.747 178.271 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -66.43 -46.98 74.67 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 114.425 -1.261 . . . . 0.0 109.153 177.7 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 14.9 t70 -56.81 -41.67 78.17 Favored 'General case' 0 C--N 1.321 -0.656 0 C-N-CA 123.822 0.849 . . . . 0.0 111.401 179.713 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 26.9 tpt180 -68.11 -37.13 80.82 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.567 -179.757 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.413 ' O ' ' HB2' ' A' ' 44' ' ' LEU . 95.5 mt -64.92 -41.1 95.84 Favored 'General case' 0 CA--C 1.515 -0.367 0 CA-C-O 121.145 0.498 . . . . 0.0 109.916 176.935 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 66.4 tp -62.52 -37.89 87.82 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.721 -0.672 . . . . 0.0 109.904 177.095 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 2.0 t-20 -67.61 -32.32 72.95 Favored 'General case' 0 C--O 1.206 -1.199 0 CA-C-N 115.414 -0.812 . . . . 0.0 110.039 -178.392 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.413 ' HB2' ' O ' ' A' ' 41' ' ' LEU . 73.2 mt -56.21 -46.01 79.66 Favored 'General case' 0 N--CA 1.469 0.491 0 C-N-CA 123.158 0.583 . . . . 0.0 110.909 176.873 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 88.7 mt -60.23 -50.09 75.02 Favored 'General case' 0 CA--C 1.514 -0.421 0 CA-C-N 115.791 -0.64 . . . . 0.0 109.697 179.306 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 66.3 mt -61.43 -47.39 93.65 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.981 0 CA-C-N 114.906 -1.043 . . . . 0.0 110.741 -178.622 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . 0.415 ' CD ' ' HZ1' ' A' ' 51' ' ' LYS . 0.4 OUTLIER -57.84 -52.65 64.61 Favored 'General case' 0 C--O 1.245 0.841 0 C-N-CA 124.351 1.061 . . . . 0.0 109.842 -177.308 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -66.43 -37.88 86.17 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 112.866 0.691 . . . . 0.0 112.866 -179.788 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 99.5 mttt -71.99 -27.4 62.73 Favored 'General case' 0 C--N 1.322 -0.6 0 N-CA-C 112.405 0.52 . . . . 0.0 112.405 179.034 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 90.6 m -67.98 -40.62 83.1 Favored 'General case' 0 C--O 1.245 0.859 0 N-CA-C 109.01 -0.737 . . . . 0.0 109.01 174.866 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . 0.469 ' C ' ' H ' ' A' ' 53' ' ' LYS . 46.4 mttp -73.97 -59.61 2.64 Favored 'General case' 0 N--CA 1.435 -1.191 0 CA-C-N 115.789 -0.641 . . . . 0.0 111.402 178.591 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . 0.304 0.0 OUTLIER 57.86 -34.05 0.04 OUTLIER 'General case' 0 N--CA 1.51 2.55 0 C-N-CA 127.817 2.447 . . . . 0.0 115.181 -175.005 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . 0.469 ' H ' ' C ' ' A' ' 51' ' ' LYS . 60.6 pttt -57.41 -12.71 2.74 Favored 'General case' 0 C--N 1.303 -1.441 0 C-N-CA 127.164 2.186 . . . . 0.0 114.207 -179.531 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 31.3 mmm180 -92.44 -15.31 27.32 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-O 120.902 0.382 . . . . 0.0 110.722 179.819 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' TYR . . . . . 0.422 ' O ' ' HG2' ' A' ' 59' ' ' GLU . 90.9 m-85 56.95 7.22 0.39 Allowed 'General case' 0 N--CA 1.451 -0.41 0 C-N-CA 126.13 1.772 . . . . 0.0 115.345 -179.197 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 47.5 m -75.68 14.16 0.69 Allowed 'General case' 0 C--N 1.315 -0.912 0 CA-C-O 121.997 0.903 . . . . 0.0 111.771 176.743 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.401 ' H ' ' C ' ' A' ' 55' ' ' TYR . 5.2 mp -81.04 -25.32 37.22 Favored 'General case' 0 N--CA 1.437 -1.12 0 N-CA-C 105.514 -2.032 . . . . 0.0 105.514 171.273 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 5.3 mp -105.16 -59.08 1.8 Allowed 'General case' 0 N--CA 1.435 -1.222 0 CA-C-N 113.436 -1.711 . . . . 0.0 108.561 179.735 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . 0.422 ' HG2' ' O ' ' A' ' 55' ' ' TYR . 11.7 pt-20 -92.66 -166.44 1.54 Allowed 'General case' 0 N--CA 1.438 -1.055 0 CA-C-N 115.394 -0.821 . . . . 0.0 111.238 -175.93 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 29.1 m80 -96.05 -178.4 4.33 Favored 'General case' 0 C--N 1.291 -1.947 0 CA-C-N 115.524 -0.762 . . . . 0.0 111.857 -177.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 45.9 m80 -109.77 -69.36 0.87 Allowed 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 115.488 -0.778 . . . . 0.0 109.897 176.199 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 4.0 p80 -103.6 31.05 4.61 Favored 'General case' 0 C--N 1.314 -0.955 0 CA-C-O 121.961 0.886 . . . . 0.0 110.61 -175.416 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 54.2 t-80 -158.97 174.14 15.41 Favored 'General case' 0 C--N 1.3 -1.567 0 N-CA-C 104.972 -2.233 . . . . 0.0 104.972 178.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 49.8 t-80 . . . . . 0 C--N 1.293 -1.874 0 N-CA-C 107.27 -1.381 . . . . 0.0 107.27 174.697 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.534 ' SD ' ' HE3' ' A' ' 53' ' ' LYS . 4.5 mpp? . . . . . 0 N--CA 1.472 0.67 0 N-CA-C 111.835 0.309 . . . . 0.0 111.835 . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 46.2 m-80 70.2 84.81 0.14 Allowed 'General case' 0 C--O 1.248 1.017 0 C-N-CA 124.284 1.034 . . . . 0.0 110.606 -174.576 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 27.8 m -71.82 -21.96 21.29 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.754 0 CA-C-N 115.738 -0.665 . . . . 0.0 110.683 -179.772 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 14.2 t -65.52 -30.58 71.35 Favored 'General case' 0 CA--C 1.545 0.777 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.31 178.465 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 97.5 mttt -78.17 -30.87 49.35 Favored 'General case' 0 CA--C 1.512 -0.517 0 CA-C-O 121.267 0.556 . . . . 0.0 109.853 179.528 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 35.5 tp -72.6 -41.74 65.3 Favored 'General case' 0 C--N 1.314 -0.942 0 N-CA-C 108.421 -0.955 . . . . 0.0 108.421 177.481 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 3.2 t-20 -59.75 -42.03 92.29 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.258 -0.883 . . . . 0.0 109.884 176.668 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 25.2 t70 -57.39 -35.2 69.7 Favored 'General case' 0 N--CA 1.471 0.603 0 CA-C-N 115.842 -0.617 . . . . 0.0 111.581 177.175 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 79.4 mtp180 -69.82 -42.12 74.08 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.112 178.233 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 74.9 mt -61.83 -46.38 96.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 N-CA-C 109.016 -0.735 . . . . 0.0 109.016 177.733 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 36.2 tt0 -59.87 -38.98 83.72 Favored 'General case' 0 C--N 1.312 -1.027 0 CA-C-N 114.578 -1.192 . . . . 0.0 110.406 -179.75 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -72.71 -34.72 67.31 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.949 -0.569 . . . . 0.0 111.236 178.625 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 16.6 tppt? -69.37 -34.93 75.3 Favored 'General case' 0 C--N 1.32 -0.7 0 N-CA-C 109.064 -0.717 . . . . 0.0 109.064 -178.445 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.4 ' O ' HG13 ' A' ' 18' ' ' ILE . 54.2 mttm -61.69 -41.47 97.63 Favored 'General case' 0 C--N 1.311 -1.098 0 CA-C-N 115.113 -0.949 . . . . 0.0 111.156 175.207 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 45.9 mmtm -65.55 -31.74 72.96 Favored 'General case' 0 N--CA 1.47 0.554 0 CA-C-O 121.384 0.612 . . . . 0.0 110.054 179.747 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . 0.512 ' O ' ' HG ' ' A' ' 20' ' ' LEU . 37.3 tt0 -72.08 -47.8 48.82 Favored 'General case' 0 N--CA 1.437 -1.088 0 CA-C-N 114.908 -1.042 . . . . 0.0 108.27 -178.36 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.436 ' O ' HG22 ' A' ' 21' ' ' VAL . 3.2 mm? -57.53 -49.77 75.26 Favored 'General case' 0 C--N 1.316 -0.856 0 CA-C-N 115.097 -0.956 . . . . 0.0 112.131 176.825 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . 0.4 HG13 ' O ' ' A' ' 14' ' ' LYS . 85.6 mt -56.42 -39.68 62.65 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.643 0 CA-C-O 120.872 0.368 . . . . 0.0 110.518 178.867 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 36.9 t80 -65.13 -46.83 79.38 Favored 'General case' 0 C--O 1.246 0.905 0 CA-C-N 115.603 -0.726 . . . . 0.0 110.308 179.412 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.512 ' HG ' ' O ' ' A' ' 16' ' ' GLU . 86.1 mt -64.66 -41.07 96.36 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.617 -0.719 . . . . 0.0 110.959 -178.194 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.436 HG22 ' O ' ' A' ' 17' ' ' LEU . 85.4 t -60.53 -33.03 52.92 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.735 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.509 176.842 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 74.2 mm-40 -68.44 -48.96 63.2 Favored 'General case' 0 C--N 1.316 -0.891 0 N-CA-C 113.168 0.803 . . . . 0.0 113.168 177.037 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 61.9 mttp -82.66 -42.95 17.5 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 114.842 1.423 . . . . 0.0 114.842 -178.299 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 64.3 m-85 -91.35 -49.67 6.22 Favored 'General case' 0 C--N 1.312 -1.049 0 CA-C-O 121.678 0.751 . . . . 0.0 109.408 -178.5 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . 0.403 ' O ' ' HA ' ' A' ' 21' ' ' VAL . . . 121.58 -163.45 15.01 Favored Glycine 0 N--CA 1.42 -2.419 0 N-CA-C 109.479 -1.448 . . . . 0.0 109.479 -175.74 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 35.5 p90 -111.55 170.54 8.06 Favored 'General case' 0 C--N 1.288 -2.084 0 N-CA-C 108.624 -0.88 . . . . 0.0 108.624 179.136 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 30.5 p 61.89 9.93 3.25 Favored 'General case' 0 CA--C 1.551 0.991 0 C-N-CA 125.304 1.442 . . . . 0.0 113.699 -176.381 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 65.2 t60 -78.5 137.61 38.02 Favored 'General case' 0 N--CA 1.446 -0.631 0 N-CA-C 107.222 -1.399 . . . . 0.0 107.222 177.143 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 56.0 m-70 -66.79 -33.44 75.63 Favored 'General case' 0 C--N 1.314 -0.944 0 N-CA-C 115.102 1.519 . . . . 0.0 115.102 -170.83 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 63.0 mttp -64.45 -41.87 96.3 Favored 'General case' 0 CA--C 1.51 -0.583 0 N-CA-C 108.41 -0.959 . . . . 0.0 108.41 173.483 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 96.1 t -62.07 -39.56 84.23 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.614 0 CA-C-N 115.309 -0.859 . . . . 0.0 109.624 178.436 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 75.4 mt -60.73 -44.65 97.73 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.659 0 CA-C-O 121.196 0.522 . . . . 0.0 109.962 174.867 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 41.7 m -63.0 -34.95 78.64 Favored 'General case' 0 C--N 1.313 -0.995 0 CA-C-N 115.98 -0.555 . . . . 0.0 111.209 178.111 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 20.9 m-85 -77.78 -30.68 51.51 Favored 'General case' 0 C--N 1.32 -0.71 0 O-C-N 121.847 -0.533 . . . . 0.0 111.559 176.238 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 50.4 m -66.18 -40.99 90.88 Favored 'General case' 0 C--O 1.242 0.673 0 CA-C-O 120.95 0.405 . . . . 0.0 110.358 179.046 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . 0.581 ' O ' ' HG2' ' A' ' 40' ' ' ARG . 10.7 pt20 -72.2 -28.65 63.33 Favored 'General case' 0 C--O 1.208 -1.11 0 CA-C-N 116.215 -0.448 . . . . 0.0 109.965 176.034 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 38.5 tt0 -66.55 -39.43 88.54 Favored 'General case' 0 CA--C 1.535 0.373 0 CA-C-O 121.184 0.516 . . . . 0.0 109.656 176.651 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -61.01 -44.06 97.98 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 108.124 -1.065 . . . . 0.0 108.124 174.112 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 21.7 t70 -63.57 -34.85 78.71 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 114.985 -1.007 . . . . 0.0 111.112 179.291 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . 0.581 ' HG2' ' O ' ' A' ' 36' ' ' GLN . 28.0 mmt180 -62.48 -46.86 86.55 Favored 'General case' 0 CA--C 1.509 -0.61 0 N-CA-C 109.467 -0.568 . . . . 0.0 109.467 176.542 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 93.3 mt -61.69 -41.52 97.7 Favored 'General case' 0 CA--C 1.52 -0.193 0 CA-C-N 115.576 -0.738 . . . . 0.0 110.518 179.528 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 58.5 tp -64.26 -40.86 96.85 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 121.471 0.653 . . . . 0.0 109.819 177.581 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 9.6 m-80 -68.85 -20.0 64.27 Favored 'General case' 0 C--O 1.205 -1.249 0 CA-C-N 115.528 -0.76 . . . . 0.0 112.486 178.898 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.444 ' HG ' ' O ' ' A' ' 40' ' ' ARG . 80.2 mt -62.52 -31.53 72.32 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 111.889 0.329 . . . . 0.0 111.889 178.955 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 6.7 mp -67.95 -36.2 79.69 Favored 'General case' 0 N--CA 1.469 0.515 0 CA-C-O 121.44 0.638 . . . . 0.0 109.906 176.831 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 69.9 mt -73.02 -46.73 50.63 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.837 0 CA-C-N 115.214 -0.903 . . . . 0.0 108.773 178.117 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . 0.427 ' HG3' ' HE2' ' A' ' 51' ' ' LYS . 23.6 tp10 -58.42 -30.43 66.87 Favored 'General case' 0 C--N 1.317 -0.826 0 C-N-CA 125.858 1.663 . . . . 0.0 111.116 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 19.7 tp -62.43 -35.31 78.86 Favored 'General case' 0 N--CA 1.444 -0.765 0 CA-C-O 121.046 0.45 . . . . 0.0 111.862 177.723 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 94.7 mttt -72.13 -37.54 69.44 Favored 'General case' 0 C--N 1.319 -0.732 0 N-CA-C 108.798 -0.816 . . . . 0.0 108.798 178.426 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 19.5 m -60.66 -22.22 63.63 Favored 'General case' 0 CA--C 1.547 0.838 0 C-N-CA 124.785 1.234 . . . . 0.0 111.291 179.721 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . 0.427 ' HE2' ' HG3' ' A' ' 47' ' ' GLU . 70.3 mmtt -67.51 -16.08 64.01 Favored 'General case' 0 C--O 1.213 -0.853 0 CA-C-N 115.887 -0.597 . . . . 0.0 111.597 179.475 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 24.2 pttm 62.21 5.68 1.59 Allowed 'General case' 0 N--CA 1.503 2.216 0 C-N-CA 126.631 1.973 . . . . 0.0 113.456 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . 0.534 ' HE3' ' SD ' ' A' ' 1' ' ' MET . 0.0 OUTLIER -95.55 15.63 19.28 Favored 'General case' 0 C--N 1.313 -1.009 0 CA-C-O 122.503 1.144 . . . . 0.0 109.559 175.955 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 15.6 ptt180 -70.25 138.29 51.51 Favored 'General case' 0 C--N 1.306 -1.324 0 CA-C-N 113.558 -1.655 . . . . 0.0 109.156 176.076 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' TYR . . . . . 0.403 ' HA ' HD12 ' A' ' 58' ' ' LEU . 96.9 m-85 -70.13 -10.92 60.32 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-O 121.131 0.491 . . . . 0.0 111.886 -177.034 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' SER . . . . . 0.437 ' O ' ' HB3' ' A' ' 60' ' ' HIS . 15.0 m -69.3 -3.68 14.96 Favored 'General case' 0 CA--C 1.551 0.987 0 CA-C-N 115.618 -0.719 . . . . 0.0 111.14 175.398 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 94.2 mt -109.38 0.61 19.51 Favored 'General case' 0 N--CA 1.449 -0.524 0 CA-C-O 121.059 0.457 . . . . 0.0 109.908 173.536 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.403 HD12 ' HA ' ' A' ' 55' ' ' TYR . 8.0 mp -110.09 -54.46 2.57 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.588 -178.724 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -89.51 2.26 54.82 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 121.766 0.793 . . . . 0.0 110.315 -179.299 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' HIS . . . . . 0.437 ' HB3' ' O ' ' A' ' 56' ' ' SER . 38.2 t-80 -138.39 111.05 7.59 Favored 'General case' 0 C--N 1.285 -2.201 0 N-CA-C 107.058 -1.46 . . . . 0.0 107.058 -178.149 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 74.6 m-70 -85.02 98.38 10.37 Favored 'General case' 0 C--N 1.303 -1.416 0 N-CA-C 109.029 -0.73 . . . . 0.0 109.029 -178.671 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 46.1 t-80 -94.9 -72.03 0.64 Allowed 'General case' 0 C--N 1.295 -1.796 0 CA-C-N 115.493 -0.776 . . . . 0.0 110.194 -177.908 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 8.0 t60 176.59 132.81 0.05 Allowed 'General case' 0 C--N 1.312 -1.036 0 N-CA-C 105.593 -2.003 . . . . 0.0 105.593 -174.641 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 22.4 p-80 . . . . . 0 N--CA 1.411 -2.404 0 N-CA-C 110.398 -0.223 . . . . 0.0 110.398 177.395 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 66.9 mtt . . . . . 0 N--CA 1.472 0.663 0 N-CA-C 110.635 -0.135 . . . . 0.0 110.635 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 52.1 t-20 -98.81 123.69 43.22 Favored 'General case' 0 C--N 1.319 -0.752 0 N-CA-C 108.654 -0.869 . . . . 0.0 108.654 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 35.5 m -60.61 -24.24 31.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 N-CA-C 114.224 1.194 . . . . 0.0 114.224 -175.778 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 15.3 t -63.9 -37.31 86.94 Favored 'General case' 0 C--O 1.208 -1.1 0 C-N-CA 119.858 -0.737 . . . . 0.0 110.526 179.941 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 30.8 mmmt -68.67 -32.96 73.17 Favored 'General case' 0 CA--C 1.503 -0.862 0 CA-C-O 121.149 0.5 . . . . 0.0 109.991 -178.116 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 53.2 tp -69.15 -51.18 40.9 Favored 'General case' 0 C--N 1.304 -1.397 0 CA-C-N 115.143 -0.935 . . . . 0.0 109.468 178.732 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . 0.433 ' O ' ' HG2' ' A' ' 11' ' ' GLU . 0.2 OUTLIER -64.51 -39.31 93.55 Favored 'General case' 0 CA--C 1.534 0.362 0 CA-C-N 115.95 -0.568 . . . . 0.0 109.835 -178.379 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 18.1 m-20 -63.14 -38.07 89.73 Favored 'General case' 0 N--CA 1.474 0.755 0 N-CA-C 112.174 0.435 . . . . 0.0 112.174 178.344 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 70.8 mtp180 -65.29 -38.85 91.5 Favored 'General case' 0 CA--C 1.51 -0.587 0 CA-C-O 120.848 0.356 . . . . 0.0 110.129 176.277 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 84.3 mt -61.0 -45.09 99.22 Favored 'Isoleucine or valine' 0 C--O 1.206 -1.212 0 CA-C-N 115.701 -0.681 . . . . 0.0 109.699 177.03 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . 0.433 ' HG2' ' O ' ' A' ' 7' ' ' ASN . 20.4 mm-40 -59.39 -36.17 75.31 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-O 121.207 0.527 . . . . 0.0 111.491 178.398 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -73.21 -36.77 66.55 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-O 121.023 0.439 . . . . 0.0 110.07 178.277 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.417 ' O ' ' HB3' ' A' ' 16' ' ' GLU . 4.0 tmtm? -71.8 -38.69 70.21 Favored 'General case' 0 C--N 1.317 -0.83 0 CA-C-N 115.374 -0.83 . . . . 0.0 109.003 -178.297 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.643 ' O ' HG12 ' A' ' 18' ' ' ILE . 55.7 mtpt -59.03 -53.26 60.43 Favored 'General case' 0 C--N 1.316 -0.877 0 C-N-CA 123.443 0.697 . . . . 0.0 111.493 178.689 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 31.9 mmmt -65.77 -26.79 67.88 Favored 'General case' 0 N--CA 1.476 0.872 0 CA-C-O 121.495 0.664 . . . . 0.0 110.756 -179.755 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . 0.417 ' HB3' ' O ' ' A' ' 13' ' ' LYS . 30.8 tt0 -67.1 -47.81 70.06 Favored 'General case' 0 C--N 1.314 -0.965 0 N-CA-C 108.344 -0.984 . . . . 0.0 108.344 176.769 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.531 ' O ' HG22 ' A' ' 21' ' ' VAL . 4.0 mt -61.29 -41.36 96.84 Favored 'General case' 0 C--O 1.197 -1.696 0 CA-C-N 114.705 -1.134 . . . . 0.0 111.987 179.493 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . 0.643 HG12 ' O ' ' A' ' 14' ' ' LYS . 36.6 mm -52.65 -47.26 49.97 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.978 0 CA-C-O 121.688 0.756 . . . . 0.0 108.968 178.557 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 79.0 t80 -63.33 -49.68 72.98 Favored 'General case' 0 C--N 1.313 -0.993 0 CA-C-N 114.299 -1.319 . . . . 0.0 110.405 179.04 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 90.8 mt -65.8 -34.81 79.02 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 112.446 0.535 . . . . 0.0 112.446 -177.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.531 HG22 ' O ' ' A' ' 17' ' ' LEU . 71.7 t -62.24 -45.35 98.95 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.608 0 N-CA-C 109.892 -0.41 . . . . 0.0 109.892 177.409 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . 0.497 ' HG2' ' O ' ' A' ' 18' ' ' ILE . 47.3 mm-40 -67.61 -45.84 74.28 Favored 'General case' 0 C--N 1.318 -0.781 0 CA-C-O 121.344 0.592 . . . . 0.0 110.08 179.538 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 23.6 tptm -65.34 -48.38 73.2 Favored 'General case' 0 N--CA 1.428 -1.547 0 C-N-CA 123.858 0.863 . . . . 0.0 113.271 -177.119 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 66.2 m-85 -105.58 5.38 31.26 Favored 'General case' 0 C--N 1.32 -0.679 0 N-CA-C 114.226 1.195 . . . . 0.0 114.226 -173.788 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 80.34 11.34 84.35 Favored Glycine 0 C--N 1.309 -0.922 0 C-N-CA 120.558 -0.83 . . . . 0.0 114.703 170.499 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . 0.454 ' HB2' HG12 ' A' ' 21' ' ' VAL . 52.0 t80 70.23 -49.3 0.64 Allowed 'General case' 0 N--CA 1.475 0.782 0 C-N-CA 125.112 1.365 . . . . 0.0 114.041 177.908 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 18.7 p -67.91 -12.92 61.65 Favored 'General case' 0 C--N 1.315 -0.9 0 N-CA-C 113.479 0.918 . . . . 0.0 113.479 -174.944 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 78.4 t60 -64.0 125.1 23.34 Favored 'General case' 0 N--CA 1.444 -0.752 0 N-CA-C 107.468 -1.308 . . . . 0.0 107.468 173.847 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 21.1 t-80 -55.74 -32.36 63.32 Favored 'General case' 0 N--CA 1.471 0.611 0 N-CA-C 113.825 1.046 . . . . 0.0 113.825 -170.697 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 33.8 mmtp -64.6 -33.22 75.41 Favored 'General case' 0 C--N 1.324 -0.53 0 C-N-CA 119.717 -0.793 . . . . 0.0 111.966 176.816 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 47.2 t -68.23 -38.86 80.23 Favored 'Isoleucine or valine' 0 C--O 1.24 0.593 0 N-CA-C 108.453 -0.943 . . . . 0.0 108.453 178.559 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 63.3 mt -63.39 -37.73 80.31 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.783 0 CA-C-N 115.286 -0.87 . . . . 0.0 109.158 176.069 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 23.0 t -64.49 -45.21 88.29 Favored 'General case' 0 N--CA 1.444 -0.762 0 CA-C-N 115.895 -0.593 . . . . 0.0 109.745 177.811 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 16.4 m-85 -64.12 -33.41 75.71 Favored 'General case' 0 N--CA 1.464 0.241 0 CA-C-O 120.814 0.34 . . . . 0.0 110.446 179.643 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 39.9 m -64.53 -41.58 96.28 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.144 177.807 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . 0.536 ' O ' ' HG3' ' A' ' 40' ' ' ARG . 48.6 mt-30 -71.83 -31.14 66.22 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.284 179.205 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 42.9 tt0 -65.91 -44.0 86.47 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 115.729 -0.669 . . . . 0.0 109.84 177.341 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 6.7 tt -63.79 -43.91 94.92 Favored 'General case' 0 CA--C 1.517 -0.304 0 N-CA-C 108.489 -0.93 . . . . 0.0 108.489 177.757 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 21.7 t70 -55.68 -36.45 67.14 Favored 'General case' 0 C--O 1.216 -0.681 0 CA-C-N 115.566 -0.743 . . . . 0.0 111.632 178.87 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . 0.536 ' HG3' ' O ' ' A' ' 36' ' ' GLN . 99.0 mtt180 -63.1 -45.45 91.98 Favored 'General case' 0 N--CA 1.472 0.646 0 CA-C-O 120.848 0.356 . . . . 0.0 110.385 178.33 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 89.4 mt -69.08 -41.83 77.02 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.657 -0.701 . . . . 0.0 109.967 179.928 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 47.8 tp -61.41 -40.93 96.21 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-N 115.371 -0.831 . . . . 0.0 110.567 178.698 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 15.9 t-20 -63.73 -25.42 68.19 Favored 'General case' 0 C--O 1.215 -0.73 0 CA-C-N 115.305 -0.861 . . . . 0.0 110.409 -179.251 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 96.6 mt -69.15 -35.46 76.37 Favored 'General case' 0 N--CA 1.443 -0.787 0 CA-C-N 116.466 -0.334 . . . . 0.0 110.543 177.044 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 79.9 mt -67.64 -37.24 82.16 Favored 'General case' 0 N--CA 1.471 0.603 0 N-CA-C 109.484 -0.561 . . . . 0.0 109.484 175.039 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 66.2 mt -63.87 -40.95 90.91 Favored 'Isoleucine or valine' 0 C--O 1.242 0.663 0 CA-C-N 115.211 -0.904 . . . . 0.0 109.107 176.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . 0.446 ' O ' ' HG2' ' A' ' 51' ' ' LYS . 5.6 tp10 -56.75 -50.94 70.75 Favored 'General case' 0 C--O 1.217 -0.633 0 CA-C-N 114.906 -1.043 . . . . 0.0 110.085 177.768 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -60.55 -34.4 74.1 Favored 'General case' 0 N--CA 1.473 0.679 0 N-CA-C 112.937 0.717 . . . . 0.0 112.937 179.724 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . 0.458 ' HD3' ' CG ' ' A' ' 61' ' ' HIS . 59.5 mttp -67.48 -39.12 85.23 Favored 'General case' 0 C--N 1.318 -0.766 0 CA-C-O 121.838 0.827 . . . . 0.0 109.738 176.226 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 21.4 m -73.4 -18.28 61.17 Favored 'General case' 0 CA--C 1.557 1.214 0 CA-C-N 114.892 -1.049 . . . . 0.0 110.602 -179.786 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . 0.446 ' HG2' ' O ' ' A' ' 47' ' ' GLU . 73.9 mmtt -70.65 -16.56 62.83 Favored 'General case' 0 CA--C 1.508 -0.659 0 CA-C-N 116.224 -0.443 . . . . 0.0 112.082 177.797 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 64.1 pttt 53.44 1.57 0.02 OUTLIER 'General case' 0 N--CA 1.514 2.77 0 C-N-CA 126.679 1.992 . . . . 0.0 115.865 173.726 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 14.3 ptmm? -79.57 -24.7 41.89 Favored 'General case' 0 C--N 1.305 -1.335 0 N-CA-C 112.734 0.642 . . . . 0.0 112.734 -176.221 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 25.7 mtp180 -98.69 -178.57 4.03 Favored 'General case' 0 C--N 1.306 -1.318 0 C-N-CA 120.81 -0.356 . . . . 0.0 110.393 179.423 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 63.1 m-85 -84.43 22.43 1.27 Allowed 'General case' 0 N--CA 1.478 0.932 0 CA-C-O 121.682 0.753 . . . . 0.0 111.429 -176.363 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 26.8 t -79.25 -1.55 37.04 Favored 'General case' 0 N--CA 1.434 -1.244 0 CA-C-N 115.591 -0.731 . . . . 0.0 111.9 -175.428 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 77.9 mt -90.65 -6.74 54.17 Favored 'General case' 0 C--O 1.238 0.493 0 N-CA-C 109.305 -0.628 . . . . 0.0 109.305 176.947 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 85.0 mt -83.95 -33.44 24.64 Favored 'General case' 0 N--CA 1.449 -0.52 0 N-CA-C 108.403 -0.962 . . . . 0.0 108.403 175.617 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -92.07 97.4 10.91 Favored 'General case' 0 C--N 1.312 -1.038 0 N-CA-C 107.942 -1.133 . . . . 0.0 107.942 176.826 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 28.2 p80 -67.89 137.19 55.07 Favored 'General case' 0 C--O 1.249 1.048 0 CA-C-O 122.048 0.928 . . . . 0.0 112.064 -176.779 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . 0.458 ' CG ' ' HD3' ' A' ' 49' ' ' LYS . 13.0 p80 -130.17 6.15 4.93 Favored 'General case' 0 C--N 1.295 -1.762 0 CA-C-N 114.229 -1.351 . . . . 0.0 112.225 -171.604 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 1.7 p80 -72.23 176.81 4.9 Favored 'General case' 0 C--N 1.311 -1.074 0 CA-C-O 120.962 0.41 . . . . 0.0 111.32 179.731 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 42.7 t-80 65.55 73.96 0.38 Allowed 'General case' 0 C--N 1.318 -0.802 0 C-N-CA 124.846 1.259 . . . . 0.0 111.73 -179.601 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 20.6 t60 . . . . . 0 C--N 1.306 -1.319 0 N-CA-C 105.62 -1.993 . . . . 0.0 105.62 175.149 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 25.7 ttt . . . . . 0 N--CA 1.472 0.644 0 CA-C-O 120.732 0.301 . . . . 0.0 111.292 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 29.2 m-80 -117.53 105.73 12.4 Favored 'General case' 0 CA--C 1.491 -1.3 0 C-N-CA 120.934 -0.307 . . . . 0.0 110.697 -172.195 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 28.1 m -64.89 -24.57 35.82 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.953 0 C-N-CA 120.739 -0.384 . . . . 0.0 110.454 176.724 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 8.7 t -65.48 -32.89 74.75 Favored 'General case' 0 CA--C 1.551 0.995 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.992 175.933 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . 0.506 ' O ' ' HG3' ' A' ' 9' ' ' ARG . 31.9 mmtp -76.04 -37.29 58.52 Favored 'General case' 0 CA--C 1.5 -0.971 0 N-CA-C 109.668 -0.493 . . . . 0.0 109.668 178.056 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 23.4 tp -65.7 -38.97 90.69 Favored 'General case' 0 C--N 1.31 -1.128 0 N-CA-C 108.943 -0.762 . . . . 0.0 108.943 177.145 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . 0.417 ' O ' ' HB ' ' A' ' 10' ' ' ILE . 26.4 t-20 -60.94 -39.43 89.45 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.452 -0.795 . . . . 0.0 110.071 174.405 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 13.7 t70 -65.9 -36.31 83.05 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-N 115.623 -0.717 . . . . 0.0 110.384 179.09 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . 0.506 ' HG3' ' O ' ' A' ' 5' ' ' LYS . 97.1 mtt180 -65.84 -32.83 74.58 Favored 'General case' 0 C--O 1.243 0.72 0 CA-C-N 115.962 -0.563 . . . . 0.0 109.696 176.765 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.55 ' O ' ' HG3' ' A' ' 14' ' ' LYS . 83.0 mt -64.7 -39.36 85.37 Favored 'Isoleucine or valine' 0 C--O 1.21 -1.026 0 CA-C-N 115.494 -0.775 . . . . 0.0 109.541 174.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . 0.528 ' O ' ' HG3' ' A' ' 15' ' ' LYS . 39.7 tt0 -55.09 -49.3 72.03 Favored 'General case' 0 N--CA 1.472 0.645 0 CA-C-O 120.917 0.389 . . . . 0.0 110.418 179.256 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -66.09 -27.17 67.86 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.806 -0.633 . . . . 0.0 111.051 -179.782 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 55.5 tptt -75.87 -39.02 57.3 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-N 115.741 -0.663 . . . . 0.0 109.572 179.142 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.55 ' HG3' ' O ' ' A' ' 10' ' ' ILE . 50.3 mtpt -62.26 -47.57 83.76 Favored 'General case' 0 C--O 1.218 -0.556 0 CA-C-N 115.592 -0.731 . . . . 0.0 109.399 178.082 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.528 ' HG3' ' O ' ' A' ' 11' ' ' GLU . 29.2 mtpp -59.05 -43.75 91.73 Favored 'General case' 0 N--CA 1.469 0.51 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.147 179.887 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 30.8 tt0 -58.76 -48.92 79.55 Favored 'General case' 0 C--O 1.246 0.902 0 CA-C-N 114.792 -1.095 . . . . 0.0 110.31 179.315 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.439 ' O ' HG21 ' A' ' 21' ' ' VAL . 34.3 tp -67.27 -48.69 66.94 Favored 'General case' 0 N--CA 1.445 -0.697 0 CA-C-N 115.021 -0.99 . . . . 0.0 110.735 -177.625 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . 0.467 ' O ' ' HG2' ' A' ' 22' ' ' GLU . 76.7 mt -53.89 -45.59 63.29 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.455 0 C-N-CA 122.826 0.45 . . . . 0.0 110.701 179.335 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 87.8 t80 -54.32 -45.49 72.62 Favored 'General case' 0 C--O 1.245 0.827 0 C-N-CA 123.41 0.684 . . . . 0.0 111.142 178.923 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 92.1 mt -71.76 -39.59 69.9 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.176 -178.702 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.515 ' HA ' ' O ' ' A' ' 25' ' ' GLY . 67.6 t -64.77 -39.96 87.42 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.64 0 CA-C-N 116.465 -0.334 . . . . 0.0 110.933 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . 0.467 ' HG2' ' O ' ' A' ' 18' ' ' ILE . 36.5 mm-40 -64.0 -44.01 93.94 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-O 120.972 0.415 . . . . 0.0 110.886 178.458 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.434 ' HZ2' ' HB3' ' A' ' 23' ' ' LYS . 8.4 mtpm? -82.49 -47.91 11.66 Favored 'General case' 0 C--N 1.321 -0.645 0 N-CA-C 114.231 1.197 . . . . 0.0 114.231 -175.478 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 73.3 m-85 -103.72 -39.93 6.48 Favored 'General case' 0 C--N 1.307 -1.248 0 CA-C-O 121.216 0.531 . . . . 0.0 111.247 -175.849 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . 0.515 ' O ' ' HA ' ' A' ' 21' ' ' VAL . . . 121.58 -157.61 16.4 Favored Glycine 0 C--N 1.29 -1.98 0 N-CA-C 109.248 -1.541 . . . . 0.0 109.248 -175.045 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 43.3 p90 -135.36 17.26 3.4 Favored 'General case' 0 C--N 1.303 -1.454 0 CA-C-N 117.692 0.746 . . . . 0.0 111.303 -177.406 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 4.9 m -88.53 -25.54 22.48 Favored 'General case' 0 C--N 1.294 -1.846 0 N-CA-C 112.23 0.456 . . . . 0.0 112.23 -174.65 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 37.3 p-80 -82.65 160.36 22.47 Favored 'General case' 0 C--O 1.244 0.813 0 C-N-CA 120.096 -0.642 . . . . 0.0 111.916 -176.555 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 73.8 m-70 -60.87 -32.26 71.7 Favored 'General case' 0 N--CA 1.477 0.881 0 N-CA-C 115.034 1.494 . . . . 0.0 115.034 -171.814 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -62.52 -47.6 83.23 Favored 'General case' 0 C--N 1.321 -0.649 0 C-N-CA 120.199 -0.6 . . . . 0.0 111.377 -179.878 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 85.1 t -61.75 -42.31 93.9 Favored 'Isoleucine or valine' 0 C--O 1.239 0.525 0 N-CA-C 110.105 -0.331 . . . . 0.0 110.105 178.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 68.8 mt -57.63 -48.86 82.34 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.473 0 CA-C-N 115.839 -0.619 . . . . 0.0 109.612 177.878 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 34.9 m -61.09 -41.52 96.81 Favored 'General case' 0 N--CA 1.446 -0.655 0 CA-C-N 115.793 -0.639 . . . . 0.0 111.44 179.603 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 25.9 m-85 -68.44 -33.57 74.43 Favored 'General case' 0 N--CA 1.453 -0.308 0 N-CA-C 111.801 0.297 . . . . 0.0 111.801 179.419 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 22.7 t -69.48 -35.71 75.84 Favored 'General case' 0 C--N 1.322 -0.617 0 N-CA-C 109.677 -0.49 . . . . 0.0 109.677 178.566 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 93.9 mt-30 -68.99 -35.19 76.42 Favored 'General case' 0 N--CA 1.468 0.471 0 CA-C-O 121.462 0.648 . . . . 0.0 109.646 175.758 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 30.1 tt0 -71.09 -41.82 70.13 Favored 'General case' 0 N--CA 1.44 -0.935 0 CA-C-N 115.404 -0.817 . . . . 0.0 110.488 179.813 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 6.4 tt -61.98 -42.76 99.49 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 107.977 -1.12 . . . . 0.0 107.977 176.796 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 17.1 t70 -56.38 -41.4 76.15 Favored 'General case' 0 C--O 1.22 -0.499 0 CA-C-N 115.044 -0.98 . . . . 0.0 111.318 176.102 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . 0.406 ' O ' ' HG ' ' A' ' 44' ' ' LEU . 34.4 ttp180 -65.07 -42.65 93.98 Favored 'General case' 0 C--N 1.318 -0.791 0 CA-C-N 115.843 -0.617 . . . . 0.0 111.063 -179.215 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 10.9 mp -66.26 -41.4 89.96 Favored 'General case' 0 N--CA 1.47 0.552 0 CA-C-O 121.099 0.476 . . . . 0.0 110.527 175.941 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 6.6 tt -63.73 -35.88 82.04 Favored 'General case' 0 C--N 1.322 -0.629 0 N-CA-C 109.291 -0.633 . . . . 0.0 109.291 179.567 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 18.0 t-20 -65.6 -27.23 68.25 Favored 'General case' 0 C--N 1.317 -0.821 0 CA-C-N 115.748 -0.66 . . . . 0.0 110.988 -179.588 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.495 ' O ' ' HB3' ' A' ' 47' ' ' GLU . 87.3 mt -68.27 -31.59 71.16 Favored 'General case' 0 C--N 1.317 -0.821 0 CA-C-O 121.236 0.541 . . . . 0.0 109.885 177.265 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 9.6 mp -73.91 -33.65 64.06 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.627 174.599 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 63.3 mt -59.56 -37.7 71.72 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.59 0 CA-C-O 121.808 0.813 . . . . 0.0 109.284 176.072 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . 0.495 ' HB3' ' O ' ' A' ' 44' ' ' LEU . 26.5 tt0 -58.08 -29.82 65.74 Favored 'General case' 0 CA--C 1.555 1.169 0 C-N-CA 125.114 1.366 . . . . 0.0 111.352 176.948 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -64.25 -36.26 83.52 Favored 'General case' 0 C--N 1.325 -0.485 0 C-N-CA 122.846 0.458 . . . . 0.0 111.603 -176.182 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 4.2 mptp? -69.77 -30.61 68.22 Favored 'General case' 0 C--O 1.216 -0.674 0 N-CA-C 111.747 0.277 . . . . 0.0 111.747 -177.336 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 14.4 m -59.74 -17.59 36.17 Favored 'General case' 0 CA--C 1.558 1.28 0 C-N-CA 124.641 1.176 . . . . 0.0 112.974 -176.733 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . 0.46 ' NZ ' ' HG2' ' A' ' 47' ' ' GLU . 13.7 mptt -70.93 -21.65 62.33 Favored 'General case' 0 C--N 1.327 -0.413 0 O-C-N 121.967 -0.458 . . . . 0.0 110.797 177.128 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . 0.294 18.7 ptpt 54.21 -8.61 0.01 OUTLIER 'General case' 0 N--CA 1.498 1.938 0 C-N-CA 127.32 2.248 . . . . 0.0 116.279 -179.45 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . 0.46 ' H ' ' C ' ' A' ' 51' ' ' LYS . 64.3 pttt -81.51 -9.27 59.74 Favored 'General case' 0 C--N 1.31 -1.125 0 N-CA-C 107.089 -1.448 . . . . 0.0 107.089 171.505 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 40.2 mmt180 -92.39 113.85 26.23 Favored 'General case' 0 CA--C 1.469 -2.156 0 N-CA-C 105.183 -2.154 . . . . 0.0 105.183 171.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 98.6 m-85 -79.39 75.35 5.99 Favored 'General case' 0 N--CA 1.419 -2.023 0 CA-C-O 122.436 1.112 . . . . 0.0 113.156 -172.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 45.5 m -108.26 7.94 27.56 Favored 'General case' 0 C--N 1.286 -2.156 0 CA-C-N 113.369 -1.741 . . . . 0.0 109.014 170.473 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 6.3 mp -70.47 -23.62 62.72 Favored 'General case' 0 N--CA 1.472 0.665 0 N-CA-C 112.375 0.509 . . . . 0.0 112.375 -175.932 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -92.66 -10.43 37.31 Favored 'General case' 0 C--N 1.315 -0.917 0 CA-C-O 121.374 0.606 . . . . 0.0 109.388 177.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 40.7 mt-10 -92.22 -76.93 0.45 Allowed 'General case' 0 C--N 1.313 -0.997 0 CA-C-N 115.307 -0.861 . . . . 0.0 108.684 177.172 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 49.7 t60 -172.45 119.76 0.39 Allowed 'General case' 0 C--N 1.296 -1.736 0 N-CA-C 106.222 -1.769 . . . . 0.0 106.222 -178.11 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 57.4 t-80 -94.39 151.12 19.64 Favored 'General case' 0 C--N 1.3 -1.556 0 N-CA-C 108.727 -0.842 . . . . 0.0 108.727 -176.67 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 87.8 m-70 -124.54 138.19 54.35 Favored 'General case' 0 C--N 1.311 -1.086 0 O-C-N 122.571 -0.081 . . . . 0.0 110.967 -178.361 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 37.0 m80 68.57 101.47 0.05 Allowed 'General case' 0 N--CA 1.472 0.635 0 C-N-CA 125.05 1.34 . . . . 0.0 110.167 -176.003 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 71.1 m80 . . . . . 0 C--N 1.311 -1.074 0 CA-C-N 115.23 -0.895 . . . . 0.0 110.74 -175.727 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.8 mpt? . . . . . 0 N--CA 1.473 0.678 0 N-CA-C 111.909 0.337 . . . . 0.0 111.909 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 17.6 m120 -137.03 127.56 26.8 Favored 'General case' 0 CA--C 1.5 -0.95 0 N-CA-C 110.231 -0.285 . . . . 0.0 110.231 -179.348 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 30.6 m -68.98 -25.29 29.68 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.745 0 N-CA-C 111.919 0.34 . . . . 0.0 111.919 178.793 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 9.6 t -67.95 -35.67 78.78 Favored 'General case' 0 CA--C 1.549 0.917 0 C-N-CA 120.301 -0.56 . . . . 0.0 109.727 176.459 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . 0.442 ' O ' ' HG3' ' A' ' 9' ' ' ARG . 13.4 mptt -73.64 -30.94 63.25 Favored 'General case' 0 N--CA 1.449 -0.515 0 O-C-N 122.187 -0.321 . . . . 0.0 110.428 175.699 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.524 ' O ' HG13 ' A' ' 10' ' ' ILE . 48.1 tp -61.84 -49.57 75.75 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 108.323 -0.992 . . . . 0.0 108.323 174.114 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 41.4 t30 -58.2 -42.17 85.58 Favored 'General case' 0 N--CA 1.474 0.757 0 C-N-CA 123.66 0.784 . . . . 0.0 110.826 177.908 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 18.4 t70 -58.62 -43.2 89.56 Favored 'General case' 0 N--CA 1.47 0.562 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.265 178.399 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . 0.442 ' HG3' ' O ' ' A' ' 5' ' ' LYS . 82.2 mtp180 -64.03 -42.26 97.14 Favored 'General case' 0 C--O 1.218 -0.572 0 CA-C-N 115.671 -0.695 . . . . 0.0 110.51 177.236 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.524 HG13 ' O ' ' A' ' 6' ' ' LEU . 80.5 mt -62.73 -41.71 93.4 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.611 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.53 -179.57 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 33.0 tt0 -65.63 -40.04 92.14 Favored 'General case' 0 C--N 1.317 -0.826 0 CA-C-O 121.441 0.639 . . . . 0.0 109.895 179.628 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -68.15 -25.0 65.05 Favored 'General case' 0 C--N 1.315 -0.899 0 CA-C-N 115.489 -0.778 . . . . 0.0 110.449 177.234 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 54.6 tptt -77.3 -33.79 55.59 Favored 'General case' 0 N--CA 1.448 -0.572 0 N-CA-C 108.831 -0.803 . . . . 0.0 108.831 -179.491 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.523 ' O ' HG13 ' A' ' 18' ' ' ILE . 95.7 mttt -63.32 -48.6 77.37 Favored 'General case' 0 CA--C 1.507 -0.68 0 CA-C-N 115.467 -0.788 . . . . 0.0 109.072 177.199 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 34.5 mmtp -64.99 -30.75 71.76 Favored 'General case' 0 N--CA 1.467 0.392 0 CA-C-N 115.33 -0.85 . . . . 0.0 110.432 -179.714 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 33.2 tt0 -69.78 -45.23 68.46 Favored 'General case' 0 N--CA 1.44 -0.973 0 N-CA-C 107.937 -1.134 . . . . 0.0 107.937 -178.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 5.1 mt -64.15 -36.48 84.2 Favored 'General case' 0 C--O 1.211 -0.953 0 CA-C-N 115.168 -0.924 . . . . 0.0 112.164 177.256 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . 0.523 HG13 ' O ' ' A' ' 14' ' ' LYS . 77.2 mt -62.01 -48.56 87.98 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.637 0 N-CA-C 109.1 -0.704 . . . . 0.0 109.1 176.768 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . 0.513 ' O ' ' HG2' ' A' ' 23' ' ' LYS . 92.3 t80 -63.43 -52.19 62.55 Favored 'General case' 0 N--CA 1.437 -1.088 0 CA-C-N 115.436 -0.802 . . . . 0.0 110.972 179.375 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 89.5 mt -65.21 -35.1 80.02 Favored 'General case' 0 C--N 1.319 -0.736 0 N-CA-C 113.224 0.824 . . . . 0.0 113.224 -176.65 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 8.4 p -66.43 -39.56 84.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 C-N-CA 120.359 -0.536 . . . . 0.0 109.836 -179.187 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . 0.426 ' HG3' ' O ' ' A' ' 18' ' ' ILE . 43.9 mt-10 -68.92 -37.35 78.87 Favored 'General case' 0 C--N 1.307 -1.278 0 CA-C-N 115.855 -0.611 . . . . 0.0 112.073 177.207 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.513 ' HG2' ' O ' ' A' ' 19' ' ' TYR . 32.3 mmmt -78.77 -39.11 36.92 Favored 'General case' 0 N--CA 1.47 0.525 0 N-CA-C 112.637 0.606 . . . . 0.0 112.637 -176.722 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 24.4 m-85 -86.08 -42.58 13.8 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-O 120.922 0.391 . . . . 0.0 111.327 -179.674 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 134.47 146.03 5.34 Favored Glycine 0 N--CA 1.428 -1.847 0 N-CA-C 110.336 -1.106 . . . . 0.0 110.336 -178.211 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 97.2 m-85 -72.03 128.07 34.56 Favored 'General case' 0 C--N 1.305 -1.351 0 N-CA-C 109.154 -0.684 . . . . 0.0 109.154 -179.739 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 19.1 m 65.53 83.51 0.17 Allowed 'General case' 0 C--O 1.245 0.822 0 C-N-CA 124.217 1.007 . . . . 0.0 109.174 -172.261 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . 0.414 ' O ' HG21 ' A' ' 31' ' ' VAL . 54.5 t60 -134.27 142.92 47.48 Favored 'General case' 0 C--N 1.302 -1.46 0 N-CA-C 106.894 -1.521 . . . . 0.0 106.894 -177.621 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 24.4 p-80 -54.65 -40.26 68.84 Favored 'General case' 0 C--N 1.318 -0.763 0 N-CA-C 113.55 0.944 . . . . 0.0 113.55 -174.511 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 63.3 mttp -70.41 -40.17 74.03 Favored 'General case' 0 CA--C 1.516 -0.342 0 N-CA-C 112.092 0.404 . . . . 0.0 112.092 -179.106 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.414 HG21 ' O ' ' A' ' 28' ' ' HIS . 21.2 m -67.98 -32.83 57.94 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.236 0 C-N-CA 120.215 -0.594 . . . . 0.0 111.081 -177.363 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 77.5 mt -62.31 -42.33 95.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 CA-C-N 115.925 -0.58 . . . . 0.0 109.442 175.936 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 18.0 m -64.71 -41.05 96.28 Favored 'General case' 0 CA--C 1.541 0.628 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.498 177.863 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 18.1 m-85 -66.68 -36.8 83.38 Favored 'General case' 0 C--O 1.24 0.575 0 CA-C-N 116.431 -0.35 . . . . 0.0 110.279 179.433 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 34.3 t -64.1 -43.11 96.37 Favored 'General case' 0 N--CA 1.443 -0.78 0 CA-C-N 115.693 -0.685 . . . . 0.0 110.55 179.47 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 79.6 mt-30 -63.71 -34.05 77.0 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 116.619 -0.264 . . . . 0.0 111.476 178.915 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 7.7 mm-40 -68.91 -47.6 65.39 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.911 175.474 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 6.2 tt -58.22 -42.62 86.68 Favored 'General case' 0 N--CA 1.466 0.365 0 N-CA-C 108.792 -0.818 . . . . 0.0 108.792 178.625 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 24.5 t70 -62.53 -40.77 97.84 Favored 'General case' 0 C--N 1.317 -0.84 0 CA-C-N 115.332 -0.849 . . . . 0.0 110.912 -179.362 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 63.7 ttp85 -68.75 -43.05 76.63 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.696 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.437 ' O ' ' HB2' ' A' ' 44' ' ' LEU . 10.7 mp -67.86 -36.21 79.89 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 120.843 0.354 . . . . 0.0 110.843 177.367 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 53.2 tp -61.05 -41.67 97.04 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 121.615 0.721 . . . . 0.0 109.221 175.473 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 3.7 t-20 -63.45 -33.8 76.35 Favored 'General case' 0 N--CA 1.438 -1.032 0 CA-C-N 114.849 -1.068 . . . . 0.0 110.337 179.699 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.437 ' HB2' ' O ' ' A' ' 41' ' ' LEU . 72.7 mt -56.39 -41.97 77.15 Favored 'General case' 0 N--CA 1.47 0.561 0 C-N-CA 123.032 0.533 . . . . 0.0 111.7 177.601 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 90.5 mt -60.82 -38.64 86.12 Favored 'General case' 0 C--O 1.241 0.621 0 CA-C-O 121.091 0.472 . . . . 0.0 110.327 179.037 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 36.8 mt -73.74 -50.96 26.56 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.053 0 CA-C-N 115.346 -0.843 . . . . 0.0 109.709 179.604 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . 0.454 ' O ' ' HG2' ' A' ' 51' ' ' LYS . 36.3 tt0 -56.5 -53.26 59.53 Favored 'General case' 0 C--N 1.32 -0.684 0 C-N-CA 124.455 1.102 . . . . 0.0 111.692 -176.353 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -59.69 -41.27 90.36 Favored 'General case' 0 N--CA 1.441 -0.879 0 CA-C-N 115.739 -0.664 . . . . 0.0 112.681 -177.569 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 37.1 mtmm -70.04 -33.63 72.21 Favored 'General case' 0 C--N 1.324 -0.525 0 C-N-CA 120.208 -0.597 . . . . 0.0 111.599 178.535 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 65.9 m -65.83 -40.02 91.38 Favored 'General case' 0 N--CA 1.441 -0.895 0 CA-C-N 116.437 -0.347 . . . . 0.0 110.835 178.909 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . 0.542 ' C ' ' H ' ' A' ' 53' ' ' LYS . 15.5 ptpt -84.55 -61.12 1.87 Allowed 'General case' 0 N--CA 1.427 -1.577 0 C-N-CA 119.433 -0.907 . . . . 0.0 111.335 179.337 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 65.2 pttt 43.66 -0.17 0.0 OUTLIER 'General case' 0 N--CA 1.518 2.965 0 C-N-CA 127.457 2.303 . . . . 0.0 116.617 -176.231 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . 0.542 ' H ' ' C ' ' A' ' 51' ' ' LYS . 13.5 ptmm? -86.36 -13.65 45.81 Favored 'General case' 0 C--N 1.293 -1.884 0 C-N-CA 124.982 1.313 . . . . 0.0 109.672 179.169 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 14.4 mmt180 -82.28 146.2 29.58 Favored 'General case' 0 N--CA 1.423 -1.821 0 CA-C-N 114.918 -1.037 . . . . 0.0 108.919 175.676 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 91.7 m-85 -78.15 8.01 5.46 Favored 'General case' 0 C--N 1.302 -1.483 0 CA-C-N 115.692 -0.685 . . . . 0.0 112.646 -173.115 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' SER . . . . . 0.413 ' HA ' ' HB2' ' A' ' 61' ' ' HIS . 4.0 p -76.48 -32.0 58.1 Favored 'General case' 0 C--N 1.3 -1.553 0 C-N-CA 123.273 0.629 . . . . 0.0 111.426 179.006 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 61.1 mt -92.46 -32.88 14.73 Favored 'General case' 0 CA--C 1.495 -1.14 0 CA-C-O 121.655 0.74 . . . . 0.0 109.452 175.94 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 58.1 mt -76.66 -63.4 1.36 Allowed 'General case' 0 C--N 1.298 -1.645 0 CA-C-N 114.463 -1.244 . . . . 0.0 111.448 -174.478 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 20.3 mm-40 -108.21 -162.26 0.82 Allowed 'General case' 0 C--N 1.295 -1.763 0 N-CA-C 107.735 -1.209 . . . . 0.0 107.735 -171.759 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 39.2 p-80 -82.41 143.53 31.13 Favored 'General case' 0 C--N 1.289 -2.047 0 N-CA-C 107.367 -1.345 . . . . 0.0 107.367 174.225 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . 0.413 ' HB2' ' HA ' ' A' ' 56' ' ' SER . 71.5 t60 -106.22 94.73 5.31 Favored 'General case' 0 C--N 1.286 -2.153 0 C-N-CA 119.532 -0.867 . . . . 0.0 109.48 178.889 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 12.4 t60 -135.49 109.01 7.91 Favored 'General case' 0 C--N 1.296 -1.743 0 N-CA-C 107.527 -1.286 . . . . 0.0 107.527 179.812 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 48.3 t-80 -84.71 133.66 34.37 Favored 'General case' 0 C--N 1.294 -1.841 0 N-CA-C 108.283 -1.006 . . . . 0.0 108.283 -178.878 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 40.6 m80 . . . . . 0 N--CA 1.423 -1.817 0 N-CA-C 108.573 -0.899 . . . . 0.0 108.573 179.052 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 52.1 ttp . . . . . 0 C--O 1.233 0.214 0 N-CA-C 109.549 -0.537 . . . . 0.0 109.549 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 15.6 m120 -49.88 130.56 21.77 Favored 'General case' 0 N--CA 1.478 0.953 0 C-N-CA 124.498 1.119 . . . . 0.0 110.531 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 26.8 m -64.4 -22.69 31.75 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.771 0 CA-C-O 121.142 0.496 . . . . 0.0 111.963 -178.656 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 11.9 t -65.69 -26.51 67.81 Favored 'General case' 0 N--CA 1.442 -0.863 0 N-CA-C 109.652 -0.499 . . . . 0.0 109.652 177.471 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . 0.412 ' O ' ' HG3' ' A' ' 9' ' ' ARG . 55.3 mttm -72.76 -35.97 67.59 Favored 'General case' 0 CA--C 1.512 -0.51 0 C-N-CA 122.693 0.397 . . . . 0.0 110.46 179.415 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 40.0 tp -67.27 -44.98 77.99 Favored 'General case' 0 C--N 1.315 -0.92 0 N-CA-C 109.057 -0.72 . . . . 0.0 109.057 178.031 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 63.1 t30 -66.41 -31.52 72.32 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.675 -0.693 . . . . 0.0 110.084 177.853 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 29.5 t70 -62.02 -40.22 94.96 Favored 'General case' 0 C--O 1.239 0.548 0 CA-C-N 115.749 -0.659 . . . . 0.0 110.313 178.611 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . 0.437 ' O ' ' HG2' ' A' ' 13' ' ' LYS . 21.5 mtp180 -62.64 -41.92 99.31 Favored 'General case' 0 CA--C 1.516 -0.329 0 CA-C-N 115.387 -0.824 . . . . 0.0 109.654 177.152 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 68.7 mt -58.88 -53.36 48.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 N-CA-C 109.149 -0.685 . . . . 0.0 109.149 177.397 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 23.6 mm-40 -54.74 -42.02 71.1 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.726 -0.67 . . . . 0.0 112.201 -179.808 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -71.74 -31.71 66.96 Favored 'General case' 0 C--N 1.317 -0.833 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.407 -179.938 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.437 ' HG2' ' O ' ' A' ' 9' ' ' ARG . 28.5 mmtp -77.27 -32.63 55.68 Favored 'General case' 0 C--O 1.217 -0.641 0 C-N-CA 119.771 -0.772 . . . . 0.0 110.934 178.184 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.456 ' O ' HG13 ' A' ' 18' ' ' ILE . 58.0 mtpt -59.53 -46.39 89.01 Favored 'General case' 0 C--N 1.325 -0.466 0 C-N-CA 122.821 0.448 . . . . 0.0 110.653 176.773 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.41 ' C ' ' HD3' ' A' ' 15' ' ' LYS . 0.0 OUTLIER -69.64 -26.94 64.65 Favored 'General case' 0 C--O 1.247 0.973 0 CA-C-O 121.36 0.6 . . . . 0.0 111.135 -179.584 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . 0.459 ' O ' ' HG ' ' A' ' 20' ' ' LEU . 35.4 tt0 -76.26 -44.46 37.15 Favored 'General case' 0 CA--C 1.501 -0.912 0 N-CA-C 107.949 -1.13 . . . . 0.0 107.949 -176.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.465 ' O ' HG21 ' A' ' 21' ' ' VAL . 20.3 mt -57.61 -45.29 85.52 Favored 'General case' 0 N--CA 1.431 -1.41 0 CA-C-N 114.915 -1.038 . . . . 0.0 112.583 177.292 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . 0.456 HG13 ' O ' ' A' ' 14' ' ' LYS . 78.1 mt -56.47 -45.24 81.89 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.623 0 N-CA-C 109.892 -0.41 . . . . 0.0 109.892 178.592 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 72.8 t80 -64.73 -47.63 77.57 Favored 'General case' 0 C--O 1.246 0.885 0 CA-C-N 115.449 -0.796 . . . . 0.0 111.16 178.135 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.459 ' HG ' ' O ' ' A' ' 16' ' ' GLU . 92.2 mt -64.55 -41.52 96.28 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.928 -0.578 . . . . 0.0 112.181 -177.757 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.465 HG21 ' O ' ' A' ' 17' ' ' LEU . 69.6 t -57.19 -42.36 79.69 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.359 0 CA-C-O 121.034 0.445 . . . . 0.0 110.189 176.721 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 23.8 mm-40 -68.78 -40.7 79.54 Favored 'General case' 0 C--N 1.308 -1.236 0 N-CA-C 113.398 0.888 . . . . 0.0 113.398 179.715 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 38.9 ttpt -79.11 -45.17 20.58 Favored 'General case' 0 N--CA 1.417 -2.112 0 N-CA-C 112.495 0.554 . . . . 0.0 112.495 -177.942 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 96.7 m-85 -93.96 -38.39 11.2 Favored 'General case' 0 C--N 1.317 -0.815 0 N-CA-C 113.116 0.784 . . . . 0.0 113.116 -175.891 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 118.09 169.12 14.6 Favored Glycine 0 C--N 1.304 -1.242 0 N-CA-C 111.23 -0.748 . . . . 0.0 111.23 -177.383 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 95.8 m-85 -77.72 -34.67 52.57 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-O 121.005 0.431 . . . . 0.0 110.855 -178.637 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 27.7 p -84.66 -5.49 59.31 Favored 'General case' 0 C--N 1.311 -1.103 0 CA-C-N 115.697 -0.683 . . . . 0.0 112.621 -173.314 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 21.8 t60 -75.32 124.26 26.79 Favored 'General case' 0 N--CA 1.435 -1.195 0 N-CA-C 109.004 -0.739 . . . . 0.0 109.004 -175.517 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 17.0 t60 -58.1 -33.56 69.24 Favored 'General case' 0 N--CA 1.472 0.668 0 C-N-CA 123.522 0.729 . . . . 0.0 112.831 -171.296 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 47.3 mmtm -58.23 -45.34 87.88 Favored 'General case' 0 N--CA 1.469 0.517 0 C-N-CA 120.846 -0.341 . . . . 0.0 110.3 177.615 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 94.5 t -61.79 -41.55 91.06 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.642 0 CA-C-N 115.719 -0.673 . . . . 0.0 109.862 -178.949 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.425 ' O ' ' HG2' ' A' ' 36' ' ' GLN . 38.3 mm -61.21 -50.58 79.91 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.769 0 CA-C-N 115.246 -0.888 . . . . 0.0 108.776 177.613 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 38.1 t -53.49 -49.86 66.59 Favored 'General case' 0 C--N 1.316 -0.882 0 CA-C-N 114.955 -1.02 . . . . 0.0 111.738 178.615 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 36.9 m-85 -64.13 -35.09 79.63 Favored 'General case' 0 C--O 1.241 0.625 0 CA-C-O 121.281 0.563 . . . . 0.0 110.424 179.621 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 29.8 t -69.3 -31.38 69.83 Favored 'General case' 0 CA--C 1.551 1.012 0 CA-C-N 115.417 -0.81 . . . . 0.0 110.885 179.122 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . 0.425 ' HG2' ' O ' ' A' ' 32' ' ' ILE . 30.8 mm-40 -63.86 -41.0 97.88 Favored 'General case' 0 C--O 1.242 0.686 0 N-CA-C 109.789 -0.449 . . . . 0.0 109.789 176.215 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . 0.463 ' O ' ' HG ' ' A' ' 41' ' ' LEU . 28.5 tt0 -66.18 -42.72 88.5 Favored 'General case' 0 C--O 1.222 -0.381 0 CA-C-N 115.443 -0.799 . . . . 0.0 109.486 178.357 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -55.54 -52.22 64.42 Favored 'General case' 0 C--O 1.239 0.536 0 CA-C-N 115.578 -0.737 . . . . 0.0 109.876 -179.773 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 22.6 t70 -60.53 -36.04 77.45 Favored 'General case' 0 C--N 1.318 -0.793 0 CA-C-N 115.47 -0.787 . . . . 0.0 111.179 179.231 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . 0.405 ' O ' ' HG ' ' A' ' 44' ' ' LEU . 42.6 ttm180 -67.25 -44.59 79.02 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.422 179.358 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.463 ' HG ' ' O ' ' A' ' 37' ' ' GLU . 93.5 mt -60.63 -43.11 97.89 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.87 -0.604 . . . . 0.0 110.426 178.76 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 51.3 tp -62.92 -42.07 99.67 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.75 -0.659 . . . . 0.0 109.88 177.555 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 21.8 t-20 -63.43 -30.15 71.32 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 115.246 -0.888 . . . . 0.0 111.055 -177.91 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.405 ' HG ' ' O ' ' A' ' 40' ' ' ARG . 96.1 mt -60.65 -46.99 88.24 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.889 177.121 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 98.6 mt -61.8 -43.83 98.06 Favored 'General case' 0 CA--C 1.514 -0.433 0 CA-C-O 121.311 0.576 . . . . 0.0 109.576 179.134 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 74.5 mt -62.1 -39.26 83.21 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.855 0 CA-C-N 115.004 -0.998 . . . . 0.0 110.48 179.839 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 32.3 tt0 -63.75 -46.72 84.04 Favored 'General case' 0 C--N 1.322 -0.63 0 C-N-CA 122.579 0.352 . . . . 0.0 110.627 179.703 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -61.69 -39.77 92.65 Favored 'General case' 0 N--CA 1.47 0.57 0 C-N-CA 120.762 -0.375 . . . . 0.0 111.221 177.694 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 62.3 mtpt -70.6 -33.07 70.65 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.891 -179.519 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 17.3 p -78.67 -37.01 42.86 Favored 'General case' 0 C--O 1.243 0.719 0 N-CA-C 111.932 0.345 . . . . 0.0 111.932 179.699 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 91.3 mttt -66.39 -42.54 87.74 Favored 'General case' 0 N--CA 1.441 -0.882 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.045 176.086 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 18.1 ptpt 51.18 15.87 0.32 Allowed 'General case' 0 N--CA 1.504 2.257 0 C-N-CA 126.755 2.022 . . . . 0.0 113.964 177.274 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.55 -8.15 54.78 Favored 'General case' 0 C--N 1.304 -1.387 0 CA-C-O 121.905 0.859 . . . . 0.0 112.517 -177.131 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . 0.464 ' C ' ' H ' ' A' ' 56' ' ' SER . 98.9 mtt180 -97.24 110.85 23.31 Favored 'General case' 0 N--CA 1.425 -1.692 0 N-CA-C 103.729 -2.693 . . . . 0.0 103.729 166.595 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 55.0 m-85 -81.21 24.41 0.53 Allowed 'General case' 0 C--N 1.296 -1.755 0 CA-C-O 121.248 0.547 . . . . 0.0 111.996 -170.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' SER . . . . . 0.503 ' HA ' ' O ' ' A' ' 59' ' ' GLU . 11.5 t -65.19 -21.76 66.81 Favored 'General case' 0 C--N 1.312 -1.03 0 C-N-CA 124.897 1.279 . . . . 0.0 109.52 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 87.5 mt -71.67 -27.15 62.86 Favored 'General case' 0 CA--C 1.534 0.344 0 CA-C-N 115.772 -0.649 . . . . 0.0 109.775 177.412 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 5.6 mp -94.31 -52.62 4.27 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 109.446 -0.576 . . . . 0.0 109.446 -178.936 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . 0.503 ' O ' ' HA ' ' A' ' 56' ' ' SER . 10.9 pt-20 -139.41 133.98 31.76 Favored 'General case' 0 N--CA 1.429 -1.499 0 N-CA-C 107.693 -1.225 . . . . 0.0 107.693 178.66 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 55.6 t-80 -77.06 89.59 3.59 Favored 'General case' 0 C--N 1.3 -1.58 0 N-CA-C 109.238 -0.653 . . . . 0.0 109.238 -179.249 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 19.7 p80 -76.94 124.76 28.23 Favored 'General case' 0 C--N 1.295 -1.78 0 CA-C-N 115.246 -0.888 . . . . 0.0 111.775 -179.617 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 50.0 m80 -96.36 -11.62 25.52 Favored 'General case' 0 C--N 1.301 -1.51 0 N-CA-C 106.64 -1.615 . . . . 0.0 106.64 175.384 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 53.0 t60 -77.01 93.69 3.87 Favored 'General case' 0 N--CA 1.431 -1.395 0 CA-C-N 113.555 -1.657 . . . . 0.0 108.454 176.228 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 35.0 m80 . . . . . 0 N--CA 1.411 -2.387 0 N-CA-C 108.225 -1.028 . . . . 0.0 108.225 178.473 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.6 ptt? . . . . . 0 CA--C 1.515 -0.376 0 N-CA-C 109.3 -0.63 . . . . 0.0 109.3 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . 0.467 ' O ' ' HG3' ' A' ' 5' ' ' LYS . 50.7 m-80 -112.29 114.28 26.96 Favored 'General case' 0 CA--C 1.505 -0.777 0 C-N-CA 120.96 -0.296 . . . . 0.0 110.633 179.371 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 35.8 m -74.0 -24.36 19.38 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.964 0 CA-C-O 121.203 0.525 . . . . 0.0 111.21 179.219 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 8.5 t -65.4 -28.49 69.29 Favored 'General case' 0 CA--C 1.549 0.938 0 CA-C-N 115.943 -0.571 . . . . 0.0 111.882 -176.794 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . 0.467 ' HG3' ' O ' ' A' ' 2' ' ' ASN . 0.0 OUTLIER -72.82 -28.69 62.71 Favored 'General case' 0 C--O 1.22 -0.452 0 CA-C-O 121.741 0.781 . . . . 0.0 110.101 179.958 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.412 ' O ' HG13 ' A' ' 10' ' ' ILE . 36.6 tp -72.71 -42.0 64.64 Favored 'General case' 0 N--CA 1.442 -0.875 0 CA-C-N 115.168 -0.924 . . . . 0.0 108.602 178.438 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 8.5 t30 -66.67 -31.72 72.57 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.546 -0.752 . . . . 0.0 110.082 179.533 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 14.6 t70 -66.82 -41.1 88.03 Favored 'General case' 0 N--CA 1.473 0.705 0 CA-C-N 115.569 -0.742 . . . . 0.0 110.07 175.697 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . 0.458 ' HG3' ' O ' ' A' ' 5' ' ' LYS . 77.1 mtp180 -67.16 -35.73 80.3 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.351 178.044 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.412 HG13 ' O ' ' A' ' 6' ' ' LEU . 70.1 mt -58.29 -40.91 79.67 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.751 0 N-CA-C 109.475 -0.565 . . . . 0.0 109.475 174.54 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . 0.465 ' HA ' ' HD3' ' A' ' 14' ' ' LYS . 5.6 tp10 -58.77 -42.55 89.23 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.316 -178.379 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -69.05 -34.01 74.51 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.894 179.549 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 32.6 mmmt -75.37 -35.57 61.07 Favored 'General case' 0 C--N 1.318 -0.803 0 CA-C-N 115.994 -0.548 . . . . 0.0 111.231 179.914 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.465 ' HD3' ' HA ' ' A' ' 11' ' ' GLU . 50.1 mtpt -60.14 -53.28 59.64 Favored 'General case' 0 C--N 1.327 -0.376 0 C-N-CA 122.946 0.498 . . . . 0.0 110.197 177.012 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 57.0 mtpt -62.17 -39.44 92.65 Favored 'General case' 0 C--O 1.243 0.713 0 CA-C-N 115.861 -0.609 . . . . 0.0 111.014 -178.171 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . 0.433 ' O ' ' HG ' ' A' ' 20' ' ' LEU . 44.0 tt0 -61.71 -49.32 76.94 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.417 -0.81 . . . . 0.0 110.043 177.942 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.498 ' O ' HG21 ' A' ' 21' ' ' VAL . 56.9 tp -62.01 -45.96 91.31 Favored 'General case' 0 N--CA 1.443 -0.817 0 CA-C-N 115.779 -0.646 . . . . 0.0 110.7 -179.367 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . 0.457 HG13 ' O ' ' A' ' 14' ' ' LYS . 88.3 mt -54.1 -45.76 66.02 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.864 0 O-C-N 123.293 0.371 . . . . 0.0 110.533 178.723 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 86.9 t80 -60.47 -43.37 96.99 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.209 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.433 ' HG ' ' O ' ' A' ' 16' ' ' GLU . 68.0 mt -72.17 -34.54 68.54 Favored 'General case' 0 C--N 1.31 -1.126 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.815 -178.343 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.498 HG21 ' O ' ' A' ' 17' ' ' LEU . 79.3 t -66.39 -36.99 78.68 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.832 0 N-CA-C 109.53 -0.544 . . . . 0.0 109.53 176.717 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 11.0 mm-40 -68.8 -49.32 59.51 Favored 'General case' 0 C--N 1.317 -0.828 0 N-CA-C 112.741 0.645 . . . . 0.0 112.741 175.814 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 75.2 mmtt -82.0 -48.53 11.33 Favored 'General case' 0 C--N 1.319 -0.744 0 N-CA-C 113.328 0.862 . . . . 0.0 113.328 -174.227 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 24.7 m-85 -87.96 -45.82 9.9 Favored 'General case' 0 C--N 1.31 -1.124 0 CA-C-O 121.558 0.694 . . . . 0.0 110.13 -176.884 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 109.44 168.52 20.3 Favored Glycine 0 N--CA 1.434 -1.482 0 CA-C-N 115.327 -0.851 . . . . 0.0 111.4 -179.919 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 37.3 p90 -85.33 166.43 16.46 Favored 'General case' 0 C--N 1.302 -1.459 0 O-C-N 122.93 -0.159 . . . . 0.0 110.715 -179.598 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 5.1 m 64.64 25.84 13.13 Favored 'General case' 0 CA--C 1.565 1.552 0 CA-C-O 122.577 1.18 . . . . 0.0 110.803 -179.654 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 61.2 t60 -105.76 137.17 44.08 Favored 'General case' 0 C--N 1.316 -0.884 0 N-CA-C 107.0 -1.481 . . . . 0.0 107.0 176.045 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 58.5 m80 -50.35 -45.26 54.94 Favored 'General case' 0 N--CA 1.491 1.606 0 N-CA-C 114.292 1.219 . . . . 0.0 114.292 -173.635 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 67.6 mttm -61.41 -52.39 64.76 Favored 'General case' 0 C--N 1.33 -0.266 0 N-CA-C 109.503 -0.554 . . . . 0.0 109.503 178.36 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 92.1 t -56.86 -40.1 69.24 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.637 0 CA-C-N 115.511 -0.768 . . . . 0.0 111.448 -178.457 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 79.3 mt -62.04 -42.49 95.15 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.628 0 CA-C-O 120.953 0.406 . . . . 0.0 110.212 177.391 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 27.7 m -63.33 -42.04 98.94 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.969 179.135 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 89.8 m-85 -65.97 -37.54 86.24 Favored 'General case' 0 C--O 1.223 -0.326 0 CA-C-O 120.691 0.281 . . . . 0.0 110.872 177.079 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 43.4 m -62.93 -38.44 91.01 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-O 121.152 0.501 . . . . 0.0 110.015 178.259 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 49.2 mt-30 -63.92 -36.28 83.43 Favored 'General case' 0 N--CA 1.454 -0.249 0 CA-C-N 115.693 -0.685 . . . . 0.0 110.33 175.377 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 41.0 mt-10 -62.65 -50.59 70.6 Favored 'General case' 0 C--O 1.219 -0.521 0 N-CA-C 110.399 -0.223 . . . . 0.0 110.399 176.615 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -57.39 -48.3 79.42 Favored 'General case' 0 CA--C 1.514 -0.41 0 N-CA-C 112.563 0.579 . . . . 0.0 112.563 -179.816 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 25.8 t70 -59.52 -46.07 89.91 Favored 'General case' 0 C--O 1.242 0.667 0 O-C-N 123.511 0.507 . . . . 0.0 111.556 179.91 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . 0.53 ' O ' ' HG ' ' A' ' 44' ' ' LEU . 90.6 mtm180 -66.82 -46.16 76.02 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-N 115.977 -0.556 . . . . 0.0 111.903 -179.226 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 10.9 mp -63.6 -41.38 98.34 Favored 'General case' 0 C--O 1.219 -0.524 0 N-CA-C 111.695 0.257 . . . . 0.0 111.695 179.159 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 66.5 tp -58.71 -45.99 88.33 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 121.525 0.678 . . . . 0.0 110.083 176.709 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 33.2 m-80 -70.73 -16.95 62.82 Favored 'General case' 0 C--N 1.317 -0.812 0 N-CA-C 113.198 0.814 . . . . 0.0 113.198 -179.602 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.53 ' HG ' ' O ' ' A' ' 40' ' ' ARG . 69.1 mt -65.44 -32.19 73.69 Favored 'General case' 0 C--N 1.322 -0.623 0 N-CA-C 111.562 0.208 . . . . 0.0 111.562 176.595 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 7.0 mp -68.61 -37.04 79.46 Favored 'General case' 0 C--O 1.242 0.707 0 CA-C-O 121.478 0.656 . . . . 0.0 109.665 177.074 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 2.0 mp -71.15 -38.07 69.34 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.815 0 CA-C-N 114.831 -1.077 . . . . 0.0 109.476 178.268 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . 0.478 ' HB3' ' O ' ' A' ' 44' ' ' LEU . 20.5 tp10 -51.45 -55.72 17.25 Favored 'General case' 0 C--N 1.325 -0.482 0 C-N-CA 125.569 1.548 . . . . 0.0 111.58 -179.111 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -66.68 -41.43 88.14 Favored 'General case' 0 C--N 1.321 -0.668 0 N-CA-C 113.92 1.081 . . . . 0.0 113.92 -174.905 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 59.5 tttm -71.93 -37.02 70.1 Favored 'General case' 0 C--N 1.316 -0.848 0 C-N-CA 120.272 -0.571 . . . . 0.0 111.586 -177.282 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 20.2 m -77.99 -31.21 50.58 Favored 'General case' 0 C--N 1.306 -1.307 0 N-CA-C 112.336 0.495 . . . . 0.0 112.336 -174.693 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 12.3 ptmt -73.95 -35.36 64.53 Favored 'General case' 0 N--CA 1.439 -1.008 0 C-N-CA 120.377 -0.529 . . . . 0.0 111.733 -178.102 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . 0.435 ' CB ' HD21 ' A' ' 57' ' ' LEU . 19.5 ptpt 53.09 7.85 0.09 Allowed 'General case' 0 N--CA 1.512 2.667 0 C-N-CA 126.576 1.95 . . . . 0.0 114.494 177.321 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -89.6 3.16 53.44 Favored 'General case' 0 C--N 1.312 -1.054 0 CA-C-O 121.544 0.688 . . . . 0.0 111.28 -177.642 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 34.2 mmt180 -87.21 136.94 32.74 Favored 'General case' 0 N--CA 1.436 -1.147 0 CA-C-N 115.715 -0.675 . . . . 0.0 110.117 174.374 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' TYR . . . . . 0.543 ' O ' ' HG3' ' A' ' 59' ' ' GLU . 31.0 m-85 -39.07 -43.38 1.01 Allowed 'General case' 0 C--N 1.321 -0.662 0 C-N-CA 127.147 2.179 . . . . 0.0 113.595 -172.169 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 13.7 m -50.67 -35.45 30.92 Favored 'General case' 0 CA--C 1.548 0.895 0 C-N-CA 124.154 0.982 . . . . 0.0 113.196 -176.782 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.435 HD21 ' CB ' ' A' ' 52' ' ' LYS . 5.1 mp -84.53 -22.29 30.21 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.057 0.456 . . . . 0.0 111.228 -177.372 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -86.99 -17.27 33.43 Favored 'General case' 0 C--N 1.32 -0.705 0 N-CA-C 109.835 -0.431 . . . . 0.0 109.835 -179.502 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . 0.543 ' HG3' ' O ' ' A' ' 55' ' ' TYR . 44.6 mt-10 -70.75 -10.53 59.68 Favored 'General case' 0 C--O 1.24 0.564 0 CA-C-N 115.62 -0.718 . . . . 0.0 112.055 -179.88 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 36.5 m80 -93.06 94.44 8.87 Favored 'General case' 0 C--N 1.314 -0.977 0 N-CA-C 107.498 -1.297 . . . . 0.0 107.498 173.708 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 29.0 m-70 -80.41 170.05 16.9 Favored 'General case' 0 C--N 1.304 -1.379 0 CA-C-N 115.458 -0.792 . . . . 0.0 112.049 -175.317 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 97.1 m-70 74.32 166.27 0.29 Allowed 'General case' 0 C--O 1.245 0.823 0 C-N-CA 124.857 1.263 . . . . 0.0 112.194 -179.543 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 55.4 m80 -102.64 17.17 24.4 Favored 'General case' 0 C--N 1.301 -1.536 0 CA-C-N 114.926 -1.034 . . . . 0.0 108.447 -178.854 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 62.5 t60 . . . . . 0 C--N 1.283 -2.312 0 N-CA-C 106.939 -1.504 . . . . 0.0 106.939 179.76 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.427 ' HE1' ' HB2' ' A' ' 56' ' ' SER . 25.8 ttt . . . . . 0 N--CA 1.456 -0.158 0 CA-C-O 119.505 -0.283 . . . . 0.0 111.636 . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . 0.422 ' O ' ' HG2' ' A' ' 5' ' ' LYS . 93.2 m-20 -54.82 107.6 0.31 Allowed 'General case' 0 N--CA 1.48 1.073 0 N-CA-C 113.23 0.826 . . . . 0.0 113.23 -176.142 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 27.3 m -73.6 -15.84 17.04 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.69 0 C-N-CA 123.307 0.643 . . . . 0.0 112.59 -179.792 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 13.8 t -60.58 -26.75 67.19 Favored 'General case' 0 CA--C 1.559 1.325 0 CA-C-N 115.855 -0.611 . . . . 0.0 112.205 -176.64 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . 0.422 ' HG2' ' O ' ' A' ' 2' ' ' ASN . 22.7 pttp -64.57 -37.3 87.09 Favored 'General case' 0 N--CA 1.466 0.363 0 CA-C-O 120.619 0.247 . . . . 0.0 111.274 177.629 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.498 ' O ' HG13 ' A' ' 10' ' ' ILE . 51.5 tp -69.84 -43.07 72.72 Favored 'General case' 0 N--CA 1.446 -0.654 0 N-CA-C 109.046 -0.724 . . . . 0.0 109.046 -178.861 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 25.7 t-20 -56.83 -40.61 76.37 Favored 'General case' 0 C--O 1.238 0.463 0 CA-C-N 115.144 -0.935 . . . . 0.0 110.562 179.448 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 23.4 t70 -70.56 -42.54 70.98 Favored 'General case' 0 N--CA 1.47 0.542 0 CA-C-N 115.308 -0.86 . . . . 0.0 111.829 -179.557 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -65.28 -29.75 70.54 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.517 -179.567 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.498 HG13 ' O ' ' A' ' 6' ' ' LEU . 99.6 mt -63.35 -52.84 53.25 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 N-CA-C 109.099 -0.704 . . . . 0.0 109.099 173.906 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . 0.423 ' O ' ' HG3' ' A' ' 15' ' ' LYS . 45.8 mm-40 -59.56 -41.97 91.37 Favored 'General case' 0 CA--C 1.508 -0.67 0 CA-C-N 115.936 -0.575 . . . . 0.0 111.903 -178.593 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -62.15 -37.62 85.89 Favored 'General case' 0 C--N 1.311 -1.104 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.887 177.467 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 2.2 tpmt? -68.82 -44.1 74.22 Favored 'General case' 0 N--CA 1.463 0.201 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.22 -177.885 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.495 ' O ' HG13 ' A' ' 18' ' ' ILE . 8.4 ptmm? -70.03 -33.43 71.98 Favored 'General case' 0 C--N 1.318 -0.789 0 N-CA-C 112.436 0.532 . . . . 0.0 112.436 179.318 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.423 ' HG3' ' O ' ' A' ' 11' ' ' GLU . 55.2 mtpt -65.47 -40.69 93.45 Favored 'General case' 0 C--O 1.242 0.673 0 C-N-CA 120.648 -0.421 . . . . 0.0 110.325 175.602 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . 0.405 ' O ' ' HG ' ' A' ' 20' ' ' LEU . 17.5 tp10 -60.95 -47.12 87.91 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 108.398 -0.964 . . . . 0.0 108.398 175.468 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.497 ' O ' HG22 ' A' ' 21' ' ' VAL . 47.6 tp -60.09 -42.08 93.85 Favored 'General case' 0 C--O 1.221 -0.403 0 CA-C-N 115.381 -0.827 . . . . 0.0 111.772 -179.31 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . 0.495 HG13 ' O ' ' A' ' 14' ' ' LYS . 77.9 mt -53.77 -46.73 63.02 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.903 0 CA-C-O 121.249 0.547 . . . . 0.0 110.164 177.154 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 74.0 t80 -67.98 -39.06 83.38 Favored 'General case' 0 C--N 1.313 -1.017 0 CA-C-N 114.85 -1.068 . . . . 0.0 110.327 -179.311 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.405 ' HG ' ' O ' ' A' ' 16' ' ' GLU . 96.0 mt -65.71 -34.65 78.68 Favored 'General case' 0 C--N 1.314 -0.95 0 CA-C-N 115.937 -0.574 . . . . 0.0 112.0 179.141 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.497 HG22 ' O ' ' A' ' 17' ' ' LEU . 54.7 t -66.86 -33.14 61.47 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.802 0 CA-C-O 121.561 0.696 . . . . 0.0 109.27 175.575 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -68.84 -37.76 79.37 Favored 'General case' 0 C--N 1.3 -1.558 0 O-C-N 121.689 -0.632 . . . . 0.0 111.545 175.723 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 32.0 mmmt -82.05 -48.38 11.46 Favored 'General case' 0 C--N 1.321 -0.672 0 N-CA-C 112.773 0.657 . . . . 0.0 112.773 -177.187 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 59.8 m-85 -90.7 -47.29 7.74 Favored 'General case' 0 C--N 1.313 -1.004 0 CA-C-O 121.247 0.546 . . . . 0.0 110.405 -179.532 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . 0.497 ' HA3' ' O ' ' A' ' 21' ' ' VAL . . . 98.56 -123.63 7.94 Favored Glycine 0 C--N 1.293 -1.853 0 CA-C-N 115.736 -0.665 . . . . 0.0 111.735 -178.601 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 72.5 m-85 -119.31 -178.18 3.53 Favored 'General case' 0 C--N 1.292 -1.916 0 N-CA-C 108.241 -1.022 . . . . 0.0 108.241 -178.637 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 77.7 p 57.13 13.07 1.47 Allowed 'General case' 0 N--CA 1.476 0.851 0 C-N-CA 125.764 1.626 . . . . 0.0 114.12 -178.608 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 47.4 m80 -102.66 117.52 34.84 Favored 'General case' 0 CA--C 1.486 -1.484 0 O-C-N 122.223 -0.298 . . . . 0.0 110.736 -177.847 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 63.7 m80 -60.85 -26.33 67.3 Favored 'General case' 0 C--N 1.316 -0.884 0 CA-C-N 115.567 -0.742 . . . . 0.0 111.492 179.789 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 46.2 mtpt -60.97 -49.14 78.66 Favored 'General case' 0 C--O 1.216 -0.679 0 N-CA-C 109.561 -0.533 . . . . 0.0 109.561 174.655 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 59.6 t -66.37 -38.69 82.34 Favored 'Isoleucine or valine' 0 C--O 1.24 0.568 0 CA-C-N 115.97 -0.559 . . . . 0.0 109.821 -178.713 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 70.2 mt -60.3 -44.69 96.31 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.636 0 CA-C-N 115.745 -0.661 . . . . 0.0 110.582 177.591 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 11.3 p -70.27 -36.38 74.39 Favored 'General case' 0 N--CA 1.446 -0.63 0 N-CA-C 112.132 0.419 . . . . 0.0 112.132 178.737 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 25.6 m-85 -64.2 -37.01 85.94 Favored 'General case' 0 N--CA 1.471 0.599 0 CA-C-O 120.914 0.388 . . . . 0.0 110.113 176.295 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 58.8 m -63.45 -43.08 98.39 Favored 'General case' 0 N--CA 1.447 -0.592 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.347 176.911 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 49.4 mt-30 -64.24 -32.05 73.48 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.079 -0.51 . . . . 0.0 111.089 179.017 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . 0.457 ' O ' ' HG ' ' A' ' 41' ' ' LEU . 20.3 mm-40 -69.32 -50.03 50.33 Favored 'General case' 0 C--N 1.32 -0.701 0 N-CA-C 110.065 -0.346 . . . . 0.0 110.065 174.967 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -59.58 -48.19 82.61 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.914 -179.074 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 34.5 t70 -60.39 -40.97 92.8 Favored 'General case' 0 C--N 1.318 -0.802 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.841 -178.81 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . 0.458 ' O ' ' HG ' ' A' ' 44' ' ' LEU . 30.8 tpt180 -69.32 -38.36 78.19 Favored 'General case' 0 CA--C 1.537 0.444 0 CA-C-N 116.41 -0.359 . . . . 0.0 111.09 178.021 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.457 ' HG ' ' O ' ' A' ' 37' ' ' GLU . 94.8 mt -62.12 -43.44 98.82 Favored 'General case' 0 N--CA 1.468 0.474 0 CA-C-O 120.742 0.306 . . . . 0.0 110.26 177.426 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 56.6 tp -63.64 -41.17 98.27 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 121.866 0.841 . . . . 0.0 109.509 176.582 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 20.3 t-20 -65.73 -27.03 68.02 Favored 'General case' 0 C--N 1.308 -1.215 0 CA-C-N 114.512 -1.222 . . . . 0.0 111.317 -178.613 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.458 ' HG ' ' O ' ' A' ' 40' ' ' ARG . 84.4 mt -59.44 -37.01 77.01 Favored 'General case' 0 N--CA 1.466 0.346 0 C-N-CA 122.594 0.358 . . . . 0.0 111.283 177.672 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 90.6 mt -63.65 -50.91 67.42 Favored 'General case' 0 CA--C 1.513 -0.475 0 N-CA-C 108.999 -0.741 . . . . 0.0 108.999 177.947 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 67.5 mt -58.69 -49.63 81.96 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.673 0 CA-C-N 114.729 -1.123 . . . . 0.0 110.11 -178.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 43.2 tt0 -56.97 -48.73 77.69 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.704 -0.68 . . . . 0.0 110.709 179.192 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 2.2 tm? -65.54 -43.7 89.16 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.362 -176.685 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 30.1 mtpp -69.95 -27.9 65.13 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 120.68 0.276 . . . . 0.0 111.706 -179.387 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 36.9 m -73.46 -46.57 47.54 Favored 'General case' 0 C--O 1.248 1.019 0 N-CA-C 109.223 -0.658 . . . . 0.0 109.223 176.109 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 64.5 mttm -64.34 -60.33 3.3 Favored 'General case' 0 N--CA 1.439 -1.019 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.662 179.451 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 18.2 pttm 39.1 32.57 0.07 Allowed 'General case' 0 N--CA 1.505 2.301 0 C-N-CA 126.087 1.755 . . . . 0.0 113.044 179.555 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -95.31 5.39 51.82 Favored 'General case' 0 N--CA 1.417 -2.091 0 CA-C-N 114.628 -1.169 . . . . 0.0 110.977 -174.506 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 93.4 mtt180 -86.07 131.88 34.17 Favored 'General case' 0 N--CA 1.419 -2.021 0 N-CA-C 102.757 -3.053 . . . . 0.0 102.757 169.654 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 91.2 m-85 -80.76 11.71 3.69 Favored 'General case' 0 C--N 1.292 -1.925 0 N-CA-C 114.241 1.2 . . . . 0.0 114.241 -168.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' SER . . . . . 0.427 ' HB2' ' HE1' ' A' ' 1' ' ' MET . 11.4 p -61.85 -37.54 84.87 Favored 'General case' 0 N--CA 1.424 -1.774 0 CA-C-N 114.777 -1.101 . . . . 0.0 109.708 173.941 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -69.58 -16.25 63.37 Favored 'General case' 0 C--O 1.221 -0.41 0 CA-C-N 115.677 -0.692 . . . . 0.0 111.547 179.479 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 6.9 mp -95.92 -47.14 6.25 Favored 'General case' 0 C--N 1.314 -0.954 0 C-N-CA 120.715 -0.394 . . . . 0.0 110.438 179.438 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -64.82 -34.89 79.43 Favored 'General case' 0 N--CA 1.47 0.525 0 CA-C-O 122.276 1.036 . . . . 0.0 110.359 -179.52 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 70.2 m80 -120.01 44.8 2.33 Favored 'General case' 0 C--N 1.284 -2.252 0 CA-C-N 114.365 -1.289 . . . . 0.0 108.754 -178.256 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 21.5 p-80 -53.29 129.51 31.91 Favored 'General case' 0 C--O 1.242 0.691 0 CA-C-N 115.115 -0.948 . . . . 0.0 111.442 179.522 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 9.0 t60 -89.72 73.36 7.62 Favored 'General case' 0 N--CA 1.427 -1.617 0 CA-C-O 121.805 0.812 . . . . 0.0 109.505 -173.661 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 16.5 t60 -128.8 73.02 1.48 Allowed 'General case' 0 C--N 1.3 -1.587 0 N-CA-C 106.892 -1.521 . . . . 0.0 106.892 179.813 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 11.9 t60 . . . . . 0 N--CA 1.429 -1.519 0 CA-C-N 114.719 -1.128 . . . . 0.0 108.424 -175.431 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 85.6 mtp . . . . . 0 CA--C 1.502 -0.897 0 N-CA-C 109.32 -0.622 . . . . 0.0 109.32 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . 0.476 ' HB3' HG21 ' A' ' 4' ' ' THR . 3.8 m-20 57.41 112.28 0.01 OUTLIER 'General case' 0 N--CA 1.484 1.246 0 N-CA-C 115.348 1.61 . . . . 0.0 115.348 170.72 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 29.5 m -64.56 -14.83 16.62 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.694 0 N-CA-C 112.973 0.731 . . . . 0.0 112.973 -178.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' THR . . . . . 0.476 HG21 ' HB3' ' A' ' 2' ' ' ASN . 11.9 t -59.39 -28.91 67.31 Favored 'General case' 0 C--N 1.313 -1.012 0 O-C-N 122.218 -0.301 . . . . 0.0 111.613 178.685 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . 0.402 ' HG2' ' O ' ' A' ' 2' ' ' ASN . 15.3 ptmm? -67.81 -28.65 67.76 Favored 'General case' 0 N--CA 1.47 0.558 0 CA-C-O 121.478 0.656 . . . . 0.0 110.508 179.65 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.428 ' O ' HG13 ' A' ' 10' ' ' ILE . 30.2 tp -75.55 -31.37 60.03 Favored 'General case' 0 N--CA 1.441 -0.915 0 N-CA-C 108.336 -0.987 . . . . 0.0 108.336 178.389 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 32.6 m-80 -68.54 -33.08 73.48 Favored 'General case' 0 CA--C 1.508 -0.668 0 CA-C-N 115.486 -0.779 . . . . 0.0 110.329 177.062 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 16.5 t70 -58.15 -43.25 87.27 Favored 'General case' 0 C--O 1.239 0.537 0 N-CA-C 108.707 -0.849 . . . . 0.0 108.707 174.673 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . 0.424 ' O ' ' HG2' ' A' ' 13' ' ' LYS . 96.9 mtt180 -65.46 -42.96 91.76 Favored 'General case' 0 C--O 1.205 -1.262 0 CA-C-N 115.29 -0.868 . . . . 0.0 111.27 175.115 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.428 HG13 ' O ' ' A' ' 6' ' ' LEU . 68.3 mt -55.31 -53.39 35.89 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.594 0 O-C-N 123.18 0.3 . . . . 0.0 110.469 179.85 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 65.1 mm-40 -56.32 -43.85 79.38 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 123.603 0.565 . . . . 0.0 110.954 177.166 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -64.26 -38.47 91.16 Favored 'General case' 0 C--N 1.315 -0.906 0 CA-C-N 115.778 -0.646 . . . . 0.0 111.544 -179.56 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.496 ' HZ1' ' HB3' ' A' ' 13' ' ' LYS . 3.6 mmmp? -74.98 -30.7 61.26 Favored 'General case' 0 C--O 1.215 -0.723 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.537 -177.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.44 ' O ' HG13 ' A' ' 18' ' ' ILE . 26.9 mtpp -66.55 -45.85 78.03 Favored 'General case' 0 C--N 1.318 -0.799 0 CA-C-N 116.171 -0.468 . . . . 0.0 109.976 174.474 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 60.7 mtpt -64.19 -37.2 86.6 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 121.343 0.592 . . . . 0.0 110.016 177.338 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 36.0 tt0 -62.86 -46.91 85.67 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 115.404 -0.817 . . . . 0.0 109.354 175.471 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.446 ' O ' HG22 ' A' ' 21' ' ' VAL . 1.2 tt -59.15 -45.91 89.73 Favored 'General case' 0 C--N 1.324 -0.52 0 C-N-CA 123.896 0.878 . . . . 0.0 109.526 -178.853 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . 0.44 HG13 ' O ' ' A' ' 14' ' ' LYS . 82.3 mt -57.13 -47.55 83.68 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.63 0 CA-C-O 120.897 0.38 . . . . 0.0 110.052 177.625 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 73.1 t80 -59.78 -43.66 94.26 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.75 -0.659 . . . . 0.0 110.373 177.18 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 95.6 mt -61.86 -40.44 95.35 Favored 'General case' 0 C--N 1.316 -0.886 0 CA-C-N 115.862 -0.608 . . . . 0.0 111.675 178.632 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.446 HG22 ' O ' ' A' ' 17' ' ' LEU . 77.6 t -63.14 -40.55 89.48 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.564 0 N-CA-C 109.734 -0.469 . . . . 0.0 109.734 176.595 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 57.0 mm-40 -61.2 -35.27 76.71 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.035 -0.529 . . . . 0.0 111.537 176.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 13.6 mmmm -81.79 -48.72 11.25 Favored 'General case' 0 C--N 1.314 -0.945 0 CA-C-O 120.868 0.366 . . . . 0.0 111.132 -178.484 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . 0.459 ' HB3' ' NE2' ' A' ' 28' ' ' HIS . 68.5 m-85 -77.39 -43.39 32.85 Favored 'General case' 0 C--N 1.306 -1.308 0 N-CA-C 113.33 0.863 . . . . 0.0 113.33 -174.505 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 128.94 -97.04 0.41 Allowed Glycine 0 N--CA 1.433 -1.52 0 C-N-CA 120.294 -0.955 . . . . 0.0 113.168 177.716 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 78.3 m-85 -117.99 -173.87 2.53 Favored 'General case' 0 C--N 1.3 -1.585 0 O-C-N 122.526 -0.396 . . . . 0.0 111.581 -177.055 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 1.8 m -79.7 68.78 5.86 Favored 'General case' 0 N--CA 1.432 -1.338 0 CA-C-O 121.695 0.76 . . . . 0.0 112.64 -170.582 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . 0.545 ' O ' HG12 ' A' ' 32' ' ' ILE . 2.0 p-80 -92.03 -176.86 4.53 Favored 'General case' 0 C--N 1.293 -1.869 0 CA-C-N 115.14 -0.936 . . . . 0.0 109.542 173.754 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 70.9 t60 -52.72 -40.36 62.94 Favored 'General case' 0 C--O 1.248 0.979 0 N-CA-C 113.583 0.957 . . . . 0.0 113.583 -174.066 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 49.6 mmtm -55.53 -52.76 62.64 Favored 'General case' 0 N--CA 1.47 0.527 0 N-CA-C 110.099 -0.334 . . . . 0.0 110.099 177.305 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 72.0 t -64.14 -36.69 77.77 Favored 'Isoleucine or valine' 0 C--O 1.241 0.616 0 CA-C-N 115.775 -0.648 . . . . 0.0 111.249 -178.173 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.545 HG12 ' O ' ' A' ' 28' ' ' HIS . 42.4 mm -58.79 -50.86 77.86 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.856 0 N-CA-C 108.744 -0.836 . . . . 0.0 108.744 177.009 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 35.6 m -58.22 -41.01 83.15 Favored 'General case' 0 C--N 1.308 -1.223 0 CA-C-N 114.472 -1.24 . . . . 0.0 112.029 179.361 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 19.6 m-85 -68.94 -32.28 71.78 Favored 'General case' 0 C--O 1.239 0.546 0 CA-C-O 121.198 0.523 . . . . 0.0 110.238 179.79 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 27.8 m -71.92 -41.7 67.58 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-N 115.659 -0.7 . . . . 0.0 110.34 179.395 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 80.4 mt-30 -66.42 -31.46 72.23 Favored 'General case' 0 N--CA 1.463 0.187 0 CA-C-N 116.472 -0.331 . . . . 0.0 111.174 177.927 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . 0.466 ' O ' ' HG ' ' A' ' 41' ' ' LEU . 8.0 tp10 -60.42 -38.97 85.73 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 109.056 -0.72 . . . . 0.0 109.056 175.788 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -69.99 -43.57 71.17 Favored 'General case' 0 N--CA 1.438 -1.041 0 CA-C-N 115.455 -0.793 . . . . 0.0 109.875 -177.844 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 36.2 m-20 -62.75 -34.96 78.28 Favored 'General case' 0 N--CA 1.472 0.653 0 CA-C-O 120.89 0.376 . . . . 0.0 110.5 177.491 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 40.2 ttm180 -61.45 -40.3 93.98 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.516 -0.765 . . . . 0.0 110.334 176.834 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.466 ' HG ' ' O ' ' A' ' 37' ' ' GLU . 89.4 mt -65.63 -35.16 79.98 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-O 121.037 0.446 . . . . 0.0 110.377 178.702 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 67.0 tp -65.72 -41.52 92.16 Favored 'General case' 0 C--N 1.32 -0.707 0 N-CA-C 108.835 -0.802 . . . . 0.0 108.835 175.571 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 14.9 m120 -61.19 -30.5 70.46 Favored 'General case' 0 N--CA 1.471 0.615 0 CA-C-N 115.536 -0.757 . . . . 0.0 110.543 177.112 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.434 ' O ' ' HB3' ' A' ' 47' ' ' GLU . 82.3 mt -68.25 -31.36 70.79 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.536 178.042 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 95.3 mt -71.18 -35.88 71.75 Favored 'General case' 0 N--CA 1.472 0.649 0 CA-C-O 121.959 0.885 . . . . 0.0 109.201 174.773 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 76.5 mt -69.68 -26.16 30.13 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.867 0 CA-C-N 114.772 -1.104 . . . . 0.0 110.413 179.077 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . 0.434 ' HB3' ' O ' ' A' ' 44' ' ' LEU . 9.5 tp10 -54.88 -36.06 64.74 Favored 'General case' 0 CA--C 1.545 0.787 0 C-N-CA 123.868 0.867 . . . . 0.0 110.866 178.085 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -77.23 -47.56 19.87 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-O 121.394 0.616 . . . . 0.0 109.609 177.145 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 64.5 mttp -65.68 -26.99 68.03 Favored 'General case' 0 C--N 1.317 -0.834 0 N-CA-C 113.816 1.043 . . . . 0.0 113.816 -175.138 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 15.1 t -70.2 -27.28 64.37 Favored 'General case' 0 CA--C 1.548 0.872 0 CA-C-O 120.958 0.409 . . . . 0.0 109.925 177.335 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 91.8 mttt -88.79 -26.91 21.45 Favored 'General case' 0 N--CA 1.438 -1.053 0 N-CA-C 108.458 -0.941 . . . . 0.0 108.458 -179.932 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . 0.412 ' HB2' ' CD1' ' A' ' 57' ' ' LEU 0.264 64.3 pttt 64.51 -39.64 0.24 Allowed 'General case' 0 N--CA 1.491 1.616 0 C-N-CA 127.945 2.498 . . . . 0.0 114.785 176.741 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . 0.48 ' HG3' ' HG3' ' A' ' 54' ' ' ARG . 61.0 pttt -69.03 -29.27 67.39 Favored 'General case' 0 C--N 1.284 -2.24 0 C-N-CA 123.83 0.852 . . . . 0.0 111.751 179.548 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . 0.48 ' HG3' ' HG3' ' A' ' 53' ' ' LYS . 51.0 mtp85 -94.82 98.57 10.84 Favored 'General case' 0 CA--C 1.493 -1.213 0 CA-C-N 116.469 -0.332 . . . . 0.0 110.828 -174.445 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 47.3 t80 43.48 56.18 4.51 Favored 'General case' 0 N--CA 1.453 -0.275 0 O-C-N 125.188 1.555 . . . . 0.0 112.312 178.319 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 28.4 m -143.92 -40.06 0.29 Allowed 'General case' 0 C--N 1.306 -1.319 0 CA-C-N 114.742 -1.117 . . . . 0.0 109.849 176.023 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.412 ' CD1' ' HB2' ' A' ' 52' ' ' LYS . 89.9 mt -109.25 20.38 18.36 Favored 'General case' 0 N--CA 1.442 -0.827 0 CA-C-N 115.973 -0.558 . . . . 0.0 111.296 175.81 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 82.2 mt -90.83 -33.66 15.59 Favored 'General case' 0 C--N 1.31 -1.137 0 N-CA-C 105.546 -2.02 . . . . 0.0 105.546 174.713 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -115.12 -162.58 0.83 Allowed 'General case' 0 N--CA 1.413 -2.288 0 N-CA-C 105.715 -1.957 . . . . 0.0 105.715 171.964 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 63.8 m80 59.66 -171.33 0.13 Allowed 'General case' 0 C--N 1.317 -0.829 0 C-N-CA 123.814 0.846 . . . . 0.0 111.668 -178.367 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 9.1 t60 60.19 72.36 0.53 Allowed 'General case' 0 C--O 1.239 0.535 0 C-N-CA 123.511 0.724 . . . . 0.0 109.993 -178.942 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 82.0 m-70 66.75 9.82 7.02 Favored 'General case' 0 N--CA 1.474 0.769 0 C-N-CA 124.632 1.173 . . . . 0.0 112.782 178.64 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 31.8 t-80 -154.62 96.92 1.94 Allowed 'General case' 0 C--N 1.309 -1.164 0 CA-C-O 121.456 0.646 . . . . 0.0 111.113 -177.582 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 51.7 t-80 . . . . . 0 C--N 1.286 -2.157 0 N-CA-C 106.811 -1.551 . . . . 0.0 106.811 177.272 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 88.3 mtp . . . . . 0 CA--C 1.514 -0.433 0 N-CA-C 111.026 0.01 . . . . 0.0 111.026 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 16.7 m120 -72.23 93.64 1.49 Allowed 'General case' 0 CA--C 1.502 -0.868 0 CA-C-O 120.966 0.413 . . . . 0.0 110.884 -177.353 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 31.1 m -59.28 -33.78 51.93 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.016 0 CA-C-N 115.498 -0.773 . . . . 0.0 112.935 -177.491 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 13.3 t -67.78 -40.0 84.03 Favored 'General case' 0 N--CA 1.438 -1.056 0 C-N-CA 120.328 -0.549 . . . . 0.0 110.462 -179.648 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 28.9 mmmt -78.16 -27.64 48.12 Favored 'General case' 0 CA--C 1.506 -0.726 0 O-C-N 122.237 -0.289 . . . . 0.0 111.515 178.03 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.465 ' O ' HG13 ' A' ' 10' ' ' ILE . 29.4 tp -64.74 -49.34 71.17 Favored 'General case' 0 C--N 1.315 -0.909 0 N-CA-C 109.358 -0.608 . . . . 0.0 109.358 176.475 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 2.7 t-20 -61.55 -39.94 92.93 Favored 'General case' 0 C--O 1.238 0.488 0 CA-C-O 121.36 0.6 . . . . 0.0 109.825 177.552 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 25.8 t70 -61.08 -45.95 92.63 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-N 114.983 -1.008 . . . . 0.0 111.7 177.609 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . 0.445 ' O ' ' HG2' ' A' ' 13' ' ' LYS . 7.7 ptm180 -70.04 -26.77 64.19 Favored 'General case' 0 C--O 1.224 -0.284 0 C-N-CA 120.729 -0.388 . . . . 0.0 110.751 -179.212 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.465 HG13 ' O ' ' A' ' 6' ' ' LEU . 72.2 mt -64.05 -42.04 94.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 CA-C-O 120.889 0.376 . . . . 0.0 110.098 175.432 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 35.8 tt0 -62.8 -38.35 90.32 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-O 121.629 0.728 . . . . 0.0 109.224 178.139 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -66.87 -27.55 67.61 Favored 'General case' 0 C--N 1.317 -0.827 0 CA-C-N 115.038 -0.983 . . . . 0.0 111.136 178.651 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.445 ' HG2' ' O ' ' A' ' 9' ' ' ARG . 32.1 mmmt -72.5 -38.49 68.11 Favored 'General case' 0 CA--C 1.501 -0.916 0 N-CA-C 109.088 -0.708 . . . . 0.0 109.088 179.137 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.585 ' O ' HG13 ' A' ' 18' ' ' ILE . 63.4 mttm -59.7 -42.99 94.25 Favored 'General case' 0 C--N 1.312 -1.062 0 CA-C-N 115.397 -0.82 . . . . 0.0 110.655 177.754 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 14.3 mmmm -67.31 -27.67 67.35 Favored 'General case' 0 C--O 1.246 0.917 0 CA-C-O 121.435 0.636 . . . . 0.0 111.019 -179.107 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . 0.532 ' O ' ' HG ' ' A' ' 20' ' ' LEU . 41.1 tt0 -71.9 -48.96 41.89 Favored 'General case' 0 C--N 1.31 -1.14 0 N-CA-C 107.455 -1.313 . . . . 0.0 107.455 179.671 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.409 ' O ' HG22 ' A' ' 21' ' ' VAL . 3.8 mm? -59.99 -46.64 88.8 Favored 'General case' 0 N--CA 1.443 -0.778 0 CA-C-N 114.494 -1.23 . . . . 0.0 112.421 177.352 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . 0.585 HG13 ' O ' ' A' ' 14' ' ' LYS . 78.8 mt -53.13 -44.78 52.68 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.719 0 CA-C-O 120.778 0.323 . . . . 0.0 110.76 179.578 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 63.0 t80 -63.22 -46.03 88.88 Favored 'General case' 0 C--O 1.239 0.528 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.932 177.302 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.532 ' HG ' ' O ' ' A' ' 16' ' ' GLU . 87.0 mt -66.97 -39.04 87.13 Favored 'General case' 0 C--N 1.311 -1.084 0 CA-C-N 115.892 -0.594 . . . . 0.0 112.109 -176.206 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.409 HG22 ' O ' ' A' ' 17' ' ' LEU . 88.2 t -64.03 -36.1 75.74 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.671 0 CA-C-O 121.084 0.469 . . . . 0.0 110.643 178.78 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 53.7 mm-40 -68.85 -41.15 78.85 Favored 'General case' 0 C--N 1.314 -0.96 0 CA-C-O 121.107 0.48 . . . . 0.0 111.399 176.939 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 32.5 mmmt -82.53 -47.88 11.66 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 113.699 1.0 . . . . 0.0 113.699 -175.409 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 75.4 m-85 -104.02 -40.37 6.22 Favored 'General case' 0 C--N 1.308 -1.233 0 CA-C-O 121.418 0.628 . . . . 0.0 110.563 -175.36 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 116.02 -160.55 13.29 Favored Glycine 0 N--CA 1.428 -1.877 0 N-CA-C 110.396 -1.081 . . . . 0.0 110.396 -176.236 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 47.2 p90 -104.34 -5.47 21.74 Favored 'General case' 0 C--N 1.305 -1.329 0 CA-C-O 121.432 0.634 . . . . 0.0 110.077 179.791 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 27.6 m -113.18 80.96 1.42 Allowed 'General case' 0 N--CA 1.417 -2.076 0 CA-C-O 121.483 0.658 . . . . 0.0 109.302 179.721 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . 0.424 ' O ' HG21 ' A' ' 31' ' ' VAL . 7.0 t60 -157.65 141.51 15.84 Favored 'General case' 0 C--N 1.307 -1.257 0 N-CA-C 105.519 -2.03 . . . . 0.0 105.519 175.218 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 11.4 t-80 -63.16 -33.6 75.81 Favored 'General case' 0 C--N 1.326 -0.431 0 C-N-CA 119.328 -0.949 . . . . 0.0 112.115 -174.727 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 44.0 mmtm -50.72 -58.69 5.28 Favored 'General case' 0 N--CA 1.468 0.427 0 O-C-N 123.244 0.34 . . . . 0.0 110.979 174.027 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.424 HG21 ' O ' ' A' ' 28' ' ' HIS . 22.4 m -62.16 -36.39 74.09 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.261 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.927 -175.684 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 72.6 mt -67.76 -38.29 80.0 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.728 0 CA-C-O 121.19 0.519 . . . . 0.0 109.998 178.875 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 49.2 m -65.92 -45.46 81.84 Favored 'General case' 0 C--N 1.315 -0.917 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.308 178.716 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 61.0 m-85 -68.55 -33.96 75.01 Favored 'General case' 0 CA--C 1.534 0.359 0 CA-C-O 120.728 0.299 . . . . 0.0 110.843 179.059 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 60.1 m -64.27 -36.4 83.97 Favored 'General case' 0 CA--C 1.534 0.331 0 CA-C-O 120.662 0.268 . . . . 0.0 110.561 177.231 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 48.5 mt-30 -63.52 -34.56 78.05 Favored 'General case' 0 C--O 1.235 0.323 0 CA-C-N 116.473 -0.331 . . . . 0.0 111.04 176.217 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -69.5 -44.54 70.86 Favored 'General case' 0 C--O 1.213 -0.857 0 N-CA-C 109.507 -0.553 . . . . 0.0 109.507 176.926 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -56.45 -47.95 78.06 Favored 'General case' 0 N--CA 1.467 0.412 0 N-CA-C 108.78 -0.822 . . . . 0.0 108.78 178.611 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 16.1 t70 -57.51 -49.3 76.77 Favored 'General case' 0 C--N 1.318 -0.775 0 C-N-CA 124.402 1.081 . . . . 0.0 110.924 177.927 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . 0.427 ' O ' ' HG ' ' A' ' 44' ' ' LEU . 38.4 ttm180 -64.58 -46.51 82.4 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 115.15 -0.932 . . . . 0.0 110.804 -177.097 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 10.5 mp -66.99 -36.06 81.34 Favored 'General case' 0 C--N 1.316 -0.851 0 CA-C-N 116.161 -0.472 . . . . 0.0 112.123 -178.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 40.5 tp -61.52 -43.87 98.08 Favored 'General case' 0 C--O 1.244 0.793 0 CA-C-O 121.555 0.693 . . . . 0.0 109.277 175.789 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 3.9 t-20 -62.77 -36.1 81.97 Favored 'General case' 0 C--N 1.317 -0.805 0 CA-C-N 114.828 -1.078 . . . . 0.0 110.448 179.706 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.427 ' HG ' ' O ' ' A' ' 40' ' ' ARG . 86.0 mt -58.78 -42.65 89.5 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.02 -0.536 . . . . 0.0 111.155 177.214 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 67.8 mt -59.85 -42.9 94.65 Favored 'General case' 0 CA--C 1.51 -0.566 0 CA-C-O 120.788 0.328 . . . . 0.0 110.63 177.494 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 71.0 mt -59.4 -50.73 78.8 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.5 0 CA-C-N 115.555 -0.748 . . . . 0.0 109.983 179.911 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 50.0 mt-10 -62.9 -50.51 70.6 Favored 'General case' 0 C--N 1.321 -0.646 0 N-CA-C 112.663 0.616 . . . . 0.0 112.663 -179.696 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -62.94 -40.8 98.75 Favored 'General case' 0 C--N 1.321 -0.653 0 N-CA-C 112.801 0.667 . . . . 0.0 112.801 -177.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 60.0 tttp -68.04 -27.91 66.93 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 120.861 0.362 . . . . 0.0 110.491 -178.756 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 91.3 m -65.76 -22.49 66.59 Favored 'General case' 0 CA--C 1.549 0.928 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.805 179.42 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 67.2 mttm -65.09 -35.7 81.98 Favored 'General case' 0 N--CA 1.45 -0.451 0 N-CA-C 109.672 -0.492 . . . . 0.0 109.672 177.237 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . 0.507 ' O ' ' HG ' ' A' ' 57' ' ' LEU . 22.3 pttp 38.74 42.47 0.61 Allowed 'General case' 0 N--CA 1.491 1.623 0 C-N-CA 125.932 1.693 . . . . 0.0 113.426 178.566 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . 0.519 ' HG3' ' H ' ' A' ' 54' ' ' ARG . 19.3 ptmt -123.26 -79.89 0.62 Allowed 'General case' 0 C--N 1.286 -2.185 0 CA-C-N 115.115 -0.948 . . . . 0.0 111.234 177.816 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . 0.519 ' H ' ' HG3' ' A' ' 53' ' ' LYS . 69.3 mtp180 47.43 -146.26 0.24 Allowed 'General case' 0 C--N 1.353 0.741 0 N-CA-C 109.1 -0.704 . . . . 0.0 109.1 -179.301 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 83.3 m-85 -112.7 -5.45 13.94 Favored 'General case' 0 C--N 1.304 -1.383 0 C-N-CA 119.704 -0.798 . . . . 0.0 109.144 171.841 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 4.6 p -76.03 -30.79 58.57 Favored 'General case' 0 N--CA 1.437 -1.123 0 CA-C-N 115.386 -0.825 . . . . 0.0 111.824 -177.606 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.507 ' HG ' ' O ' ' A' ' 52' ' ' LYS . 4.0 mm? -83.87 -24.19 30.96 Favored 'General case' 0 C--N 1.324 -0.534 0 C-N-CA 120.728 -0.389 . . . . 0.0 110.01 176.604 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 85.1 mt -80.33 -52.92 7.13 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-O 121.611 0.72 . . . . 0.0 109.126 179.257 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 37.8 mt-10 -97.68 90.81 5.13 Favored 'General case' 0 N--CA 1.427 -1.625 0 N-CA-C 107.695 -1.224 . . . . 0.0 107.695 177.884 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 7.5 p80 -72.91 131.45 42.24 Favored 'General case' 0 C--N 1.301 -1.522 0 CA-C-N 115.791 -0.64 . . . . 0.0 111.426 -179.06 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 61.7 m-70 -60.52 -57.08 14.25 Favored 'General case' 0 C--N 1.318 -0.801 0 CA-C-N 114.681 -1.145 . . . . 0.0 110.115 -175.735 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 26.6 p-80 -86.85 111.99 21.3 Favored 'General case' 0 N--CA 1.432 -1.327 0 CA-C-O 121.682 0.753 . . . . 0.0 109.375 176.141 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 30.0 p-80 -130.74 116.63 18.28 Favored 'General case' 0 C--N 1.295 -1.767 0 CA-C-N 115.336 -0.847 . . . . 0.0 111.106 -178.654 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 37.7 t-80 . . . . . 0 C--N 1.289 -2.05 0 N-CA-C 107.854 -1.165 . . . . 0.0 107.854 177.569 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 11.0 tmm? . . . . . 0 CA--C 1.516 -0.333 0 N-CA-C 108.739 -0.837 . . . . 0.0 108.739 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 17.6 p-10 -147.96 68.16 1.11 Allowed 'General case' 0 C--N 1.312 -1.03 0 CA-C-O 122.003 0.906 . . . . 0.0 110.797 175.828 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 30.6 m -66.68 -21.79 28.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 CA-C-N 115.087 -0.96 . . . . 0.0 110.637 179.686 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 13.5 t -69.25 -39.36 78.51 Favored 'General case' 0 N--CA 1.432 -1.337 0 N-CA-C 109.39 -0.596 . . . . 0.0 109.39 179.077 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 34.4 mmtp -79.38 -29.71 42.21 Favored 'General case' 0 N--CA 1.441 -0.924 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.578 -179.124 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 24.0 tp -69.54 -40.8 76.64 Favored 'General case' 0 N--CA 1.44 -0.952 0 N-CA-C 108.619 -0.882 . . . . 0.0 108.619 176.613 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 2.7 t-20 -63.13 -39.48 94.8 Favored 'General case' 0 N--CA 1.464 0.272 0 CA-C-N 115.791 -0.64 . . . . 0.0 109.313 175.747 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 25.5 t70 -59.67 -37.48 78.86 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.406 -0.816 . . . . 0.0 111.434 176.04 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 80.2 mtp180 -67.16 -43.21 82.83 Favored 'General case' 0 N--CA 1.467 0.386 0 CA-C-O 121.009 0.433 . . . . 0.0 110.142 176.743 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 80.8 mt -60.12 -44.29 94.8 Favored 'Isoleucine or valine' 0 C--O 1.239 0.547 0 CA-C-N 115.635 -0.711 . . . . 0.0 109.287 177.449 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . 0.446 ' HA ' ' HG2' ' A' ' 14' ' ' LYS . 41.0 tt0 -59.2 -45.57 90.72 Favored 'General case' 0 N--CA 1.435 -1.193 0 CA-C-N 115.2 -0.909 . . . . 0.0 110.623 179.944 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -56.74 -36.41 69.73 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.643 -179.859 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 5.3 mptp? -74.36 -43.21 57.5 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 120.934 0.397 . . . . 0.0 110.778 178.265 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.502 ' O ' HG13 ' A' ' 18' ' ' ILE . 16.8 ptmt -73.3 -28.88 62.34 Favored 'General case' 0 C--N 1.31 -1.116 0 N-CA-C 112.056 0.391 . . . . 0.0 112.056 -176.086 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.442 ' HG2' ' O ' ' A' ' 11' ' ' GLU . 14.1 mmmm -69.25 -34.93 75.55 Favored 'General case' 0 C--O 1.256 1.419 0 CA-C-O 121.374 0.607 . . . . 0.0 109.45 175.194 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . 0.401 ' O ' ' HG ' ' A' ' 20' ' ' LEU . 9.4 tp10 -71.76 -39.28 70.09 Favored 'General case' 0 CA--C 1.505 -0.764 0 N-CA-C 106.665 -1.606 . . . . 0.0 106.665 -178.912 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.449 ' O ' HG21 ' A' ' 21' ' ' VAL . 16.1 mt -54.72 -43.02 72.23 Favored 'General case' 0 C--O 1.205 -1.244 0 CA-C-N 114.694 -1.139 . . . . 0.0 112.191 174.437 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . 0.502 HG13 ' O ' ' A' ' 14' ' ' LYS . 75.0 mt -56.76 -40.23 69.13 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.649 0 N-CA-C 109.762 -0.458 . . . . 0.0 109.762 177.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 54.9 t80 -69.16 -47.05 66.03 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.837 -0.62 . . . . 0.0 110.433 176.267 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.401 ' HG ' ' O ' ' A' ' 16' ' ' GLU . 74.6 mt -61.86 -38.29 87.7 Favored 'General case' 0 C--N 1.314 -0.937 0 C-N-CA 123.292 0.637 . . . . 0.0 112.005 -177.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.449 HG21 ' O ' ' A' ' 17' ' ' LEU . 94.8 t -64.39 -36.85 78.42 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.76 0 CA-C-O 121.389 0.614 . . . . 0.0 110.313 175.766 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . 0.446 ' HG2' ' O ' ' A' ' 18' ' ' ILE . 71.5 mm-40 -68.57 -39.59 80.93 Favored 'General case' 0 C--N 1.315 -0.911 0 CA-C-O 121.53 0.681 . . . . 0.0 110.503 176.319 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 45.7 tttp -77.32 -45.86 24.81 Favored 'General case' 0 N--CA 1.423 -1.794 0 CA-C-N 115.317 -0.856 . . . . 0.0 112.825 -174.593 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 73.9 m-85 -106.48 -17.53 14.24 Favored 'General case' 0 C--N 1.315 -0.926 0 N-CA-C 113.154 0.798 . . . . 0.0 113.154 -174.492 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 106.65 178.12 23.08 Favored Glycine 0 C--N 1.3 -1.446 0 C-N-CA 120.296 -0.954 . . . . 0.0 112.283 179.327 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 65.6 m-85 -89.58 133.41 34.62 Favored 'General case' 0 C--N 1.301 -1.509 0 N-CA-C 108.121 -1.066 . . . . 0.0 108.121 179.185 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 25.2 m 65.65 77.82 0.29 Allowed 'General case' 0 C--N 1.32 -0.715 0 CA-C-O 122.522 1.154 . . . . 0.0 110.345 -178.82 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 3.8 t60 -139.25 136.17 34.67 Favored 'General case' 0 C--N 1.297 -1.704 0 N-CA-C 105.108 -2.182 . . . . 0.0 105.108 -178.94 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 86.1 m-70 -61.26 -27.87 68.77 Favored 'General case' 0 N--CA 1.48 1.062 0 N-CA-C 113.802 1.038 . . . . 0.0 113.802 -173.78 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 75.6 mmtt -57.87 -53.87 53.34 Favored 'General case' 0 N--CA 1.465 0.31 0 N-CA-C 108.448 -0.945 . . . . 0.0 108.448 173.291 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 61.3 t -63.33 -43.31 98.55 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.605 0 CA-C-N 114.483 -1.235 . . . . 0.0 110.423 -178.466 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 74.9 mt -59.3 -42.2 86.47 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.378 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.922 179.085 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 50.6 m -61.37 -39.64 91.39 Favored 'General case' 0 C--O 1.246 0.896 0 CA-C-O 120.692 0.282 . . . . 0.0 111.458 179.348 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 83.0 m-85 -71.03 -31.32 67.76 Favored 'General case' 0 C--O 1.225 -0.186 0 N-CA-C 110.084 -0.339 . . . . 0.0 110.084 175.896 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 20.7 m -66.38 -35.84 81.35 Favored 'General case' 0 C--O 1.217 -0.644 0 N-CA-C 109.375 -0.602 . . . . 0.0 109.375 177.81 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 14.1 mm-40 -68.88 -28.84 67.06 Favored 'General case' 0 C--O 1.235 0.319 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.433 176.715 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 41.1 tt0 -75.44 -44.0 46.75 Favored 'General case' 0 C--N 1.318 -0.794 0 N-CA-C 108.979 -0.748 . . . . 0.0 108.979 177.394 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 4.9 tt -58.17 -46.24 86.06 Favored 'General case' 0 C--O 1.219 -0.508 0 N-CA-C 108.247 -1.02 . . . . 0.0 108.247 176.26 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 34.1 t70 -56.18 -40.0 73.25 Favored 'General case' 0 C--O 1.219 -0.516 0 C-N-CA 123.887 0.875 . . . . 0.0 110.376 179.745 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -61.27 -49.87 75.32 Favored 'General case' 0 CA--C 1.538 0.509 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.754 176.576 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 10.3 mp -66.57 -32.89 74.53 Favored 'General case' 0 N--CA 1.467 0.414 0 CA-C-O 121.037 0.446 . . . . 0.0 111.416 -179.686 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 7.5 tt -66.24 -41.46 89.98 Favored 'General case' 0 C--N 1.311 -1.101 0 N-CA-C 108.849 -0.797 . . . . 0.0 108.849 176.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 12.9 m120 -64.6 -27.27 68.83 Favored 'General case' 0 C--O 1.209 -1.047 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.938 178.431 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 94.2 mt -61.94 -32.24 72.65 Favored 'General case' 0 C--N 1.321 -0.636 0 O-C-N 123.137 0.273 . . . . 0.0 111.25 179.427 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 94.4 mt -65.27 -39.64 92.87 Favored 'General case' 0 C--O 1.237 0.403 0 N-CA-C 109.211 -0.663 . . . . 0.0 109.211 175.193 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 2.0 mp -72.8 -40.89 61.4 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.846 0 CA-C-N 115.133 -0.94 . . . . 0.0 110.147 179.401 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . 0.535 ' O ' ' HG2' ' A' ' 51' ' ' LYS . 35.5 mt-10 -64.52 -35.63 81.58 Favored 'General case' 0 C--O 1.215 -0.727 0 O-C-N 122.254 -0.279 . . . . 0.0 111.511 177.651 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 21.4 tp -68.63 -37.3 79.62 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 121.378 0.609 . . . . 0.0 110.31 176.536 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 14.3 tmtt? -64.21 -35.87 82.21 Favored 'General case' 0 C--N 1.318 -0.783 0 CA-C-N 115.251 -0.886 . . . . 0.0 109.206 175.611 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 42.0 m -74.66 -24.64 58.84 Favored 'General case' 0 CA--C 1.554 1.123 0 CA-C-N 115.512 -0.767 . . . . 0.0 110.943 -179.895 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . 0.535 ' HG2' ' O ' ' A' ' 47' ' ' GLU . 45.7 mmtm -67.16 -29.55 69.28 Favored 'General case' 0 CA--C 1.513 -0.455 0 N-CA-C 109.707 -0.479 . . . . 0.0 109.707 176.553 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 58.7 pttt 53.03 14.34 0.46 Allowed 'General case' 0 N--CA 1.495 1.806 0 C-N-CA 126.872 2.069 . . . . 0.0 113.836 178.741 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 12.4 ptmm? -89.49 20.03 4.16 Favored 'General case' 0 C--N 1.31 -1.142 0 CA-C-O 121.911 0.862 . . . . 0.0 110.97 -178.603 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 63.8 mtp180 -86.09 130.02 34.66 Favored 'General case' 0 N--CA 1.416 -2.171 0 N-CA-C 107.319 -1.364 . . . . 0.0 107.319 175.198 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 69.3 m-85 -79.39 4.55 15.04 Favored 'General case' 0 C--N 1.294 -1.807 0 CA-C-O 121.419 0.628 . . . . 0.0 110.836 -175.186 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 12.7 p -76.34 -25.64 54.94 Favored 'General case' 0 N--CA 1.425 -1.694 0 CA-C-O 121.697 0.761 . . . . 0.0 109.002 173.535 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 82.9 mt -85.52 -36.76 20.31 Favored 'General case' 0 C--O 1.235 0.321 0 CA-C-N 115.405 -0.816 . . . . 0.0 109.516 178.528 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 89.8 mt -79.5 -39.31 32.36 Favored 'General case' 0 C--N 1.317 -0.809 0 CA-C-N 115.103 -0.953 . . . . 0.0 111.155 -178.244 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 34.8 mt-10 -104.06 -99.73 0.31 Allowed 'General case' 0 N--CA 1.436 -1.15 0 N-CA-C 109.693 -0.484 . . . . 0.0 109.693 179.317 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 42.2 m80 -144.69 150.02 36.62 Favored 'General case' 0 C--N 1.305 -1.346 0 C-N-CA 123.789 0.836 . . . . 0.0 109.28 178.487 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 25.5 t-80 -104.99 -35.28 7.72 Favored 'General case' 0 C--N 1.305 -1.354 0 N-CA-C 108.74 -0.837 . . . . 0.0 108.74 176.841 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 35.9 m80 -108.24 135.97 48.67 Favored 'General case' 0 C--N 1.298 -1.651 0 N-CA-C 108.512 -0.921 . . . . 0.0 108.512 -177.94 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 66.2 m80 -133.61 128.14 34.53 Favored 'General case' 0 C--N 1.3 -1.555 0 CA-C-O 120.728 0.299 . . . . 0.0 110.361 -176.382 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 52.3 m80 . . . . . 0 N--CA 1.421 -1.903 0 N-CA-C 107.978 -1.119 . . . . 0.0 107.978 176.546 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 42.5 ttm . . . . . 0 N--CA 1.47 0.535 0 CA-C-O 120.855 0.36 . . . . 0.0 110.396 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . 0.485 ' OD1' ' HB ' ' A' ' 4' ' ' THR . 22.4 t-20 -77.75 118.71 20.37 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-N 116.0 -0.545 . . . . 0.0 111.726 -176.375 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 33.3 m -74.77 -28.42 21.62 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.541 0 C-N-CA 122.96 0.504 . . . . 0.0 112.106 177.764 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' THR . . . . . 0.485 ' HB ' ' OD1' ' A' ' 2' ' ' ASN . 28.6 m -53.35 -41.44 65.78 Favored 'General case' 0 C--N 1.319 -0.734 0 C-N-CA 125.018 1.327 . . . . 0.0 112.112 -173.516 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . 0.517 ' O ' ' HG3' ' A' ' 9' ' ' ARG . 22.8 pttm -55.31 -26.8 42.77 Favored 'General case' 0 C--N 1.306 -1.317 0 CA-C-N 114.916 -1.038 . . . . 0.0 112.651 -178.565 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 44.4 tp -64.12 -50.22 69.09 Favored 'General case' 0 C--O 1.234 0.254 0 N-CA-C 109.726 -0.472 . . . . 0.0 109.726 178.354 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . 0.419 ' O ' ' HG2' ' A' ' 11' ' ' GLU . 9.5 t30 -68.06 -32.23 72.43 Favored 'General case' 0 CA--C 1.508 -0.655 0 N-CA-C 108.992 -0.744 . . . . 0.0 108.992 178.559 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . 0.407 ' HB3' ' O ' ' A' ' 5' ' ' LYS . 25.1 t70 -60.71 -32.54 71.78 Favored 'General case' 0 C--N 1.31 -1.125 0 CA-C-N 114.843 -1.071 . . . . 0.0 110.888 176.9 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . 0.517 ' HG3' ' O ' ' A' ' 5' ' ' LYS . 71.9 mtp180 -68.17 -39.77 82.48 Favored 'General case' 0 C--O 1.24 0.597 0 N-CA-C 108.718 -0.845 . . . . 0.0 108.718 176.151 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 49.1 mt -63.11 -48.7 86.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 CA-C-N 115.02 -0.991 . . . . 0.0 109.256 179.131 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . 0.425 ' O ' ' HG2' ' A' ' 14' ' ' LYS . 18.8 mm-40 -51.16 -48.38 61.9 Favored 'General case' 0 N--CA 1.467 0.423 0 O-C-N 123.909 0.756 . . . . 0.0 111.321 179.391 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -64.38 -41.58 96.6 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.574 -179.929 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 61.8 mttp -77.37 -32.51 55.03 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 113.525 0.935 . . . . 0.0 113.525 -176.771 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.448 ' O ' HG13 ' A' ' 18' ' ' ILE . 18.6 ptmt -67.27 -34.46 77.46 Favored 'General case' 0 C--N 1.32 -0.68 0 C-N-CA 120.684 -0.406 . . . . 0.0 109.922 -179.846 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 75.9 mmtt -70.75 -30.61 67.17 Favored 'General case' 0 C--O 1.239 0.551 0 CA-C-O 121.303 0.573 . . . . 0.0 110.209 177.562 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . 0.477 ' O ' ' HG ' ' A' ' 20' ' ' LEU . 38.6 tt0 -74.89 -42.83 57.08 Favored 'General case' 0 C--N 1.315 -0.933 0 N-CA-C 108.649 -0.871 . . . . 0.0 108.649 -178.63 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.431 ' O ' HG22 ' A' ' 21' ' ' VAL . 13.7 mt -59.39 -42.31 91.43 Favored 'General case' 0 N--CA 1.427 -1.579 0 CA-C-N 114.716 -1.129 . . . . 0.0 112.458 176.518 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . 0.448 HG13 ' O ' ' A' ' 14' ' ' LYS . 85.8 mt -57.38 -44.79 84.98 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.63 0 CA-C-O 120.74 0.305 . . . . 0.0 110.26 176.51 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 65.1 t80 -61.8 -45.29 94.47 Favored 'General case' 0 C--O 1.248 0.999 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.487 176.703 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.477 ' HG ' ' O ' ' A' ' 16' ' ' GLU . 84.5 mt -63.96 -42.26 97.32 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.91 -0.586 . . . . 0.0 111.087 -179.716 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.513 ' O ' ' HA3' ' A' ' 25' ' ' GLY . 78.3 t -62.2 -33.24 57.73 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.836 0 C-N-CA 123.124 0.57 . . . . 0.0 111.838 178.199 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . 0.411 ' HG3' ' O ' ' A' ' 18' ' ' ILE . 47.0 mt-10 -68.34 -50.48 53.03 Favored 'General case' 0 C--N 1.314 -0.972 0 O-C-N 121.416 -0.802 . . . . 0.0 110.914 175.142 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 11.6 mptt -81.9 -48.37 11.6 Favored 'General case' 0 C--N 1.319 -0.723 0 N-CA-C 113.674 0.99 . . . . 0.0 113.674 -171.198 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 92.5 m-85 -98.53 -42.13 7.44 Favored 'General case' 0 C--N 1.304 -1.37 0 N-CA-C 109.003 -0.74 . . . . 0.0 109.003 -179.922 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . 0.513 ' HA3' ' O ' ' A' ' 21' ' ' VAL . . . 89.08 -129.19 9.53 Favored Glycine 0 N--CA 1.419 -2.45 0 N-CA-C 109.406 -1.478 . . . . 0.0 109.406 -177.679 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 50.4 m-85 -112.1 -158.07 0.64 Allowed 'General case' 0 C--N 1.276 -2.59 0 N-CA-C 107.577 -1.268 . . . . 0.0 107.577 173.676 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 59.2 p 68.47 -40.58 0.43 Allowed 'General case' 0 N--CA 1.481 1.076 0 C-N-CA 125.729 1.612 . . . . 0.0 112.257 -174.135 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 23.4 t60 -62.36 115.8 4.51 Favored 'General case' 0 N--CA 1.439 -0.982 0 N-CA-C 108.031 -1.1 . . . . 0.0 108.031 176.313 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 91.5 m-70 -59.39 -35.45 73.97 Favored 'General case' 0 C--N 1.306 -1.287 0 C-N-CA 124.475 1.11 . . . . 0.0 113.285 -171.459 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 75.4 mmtt -62.68 -44.16 96.96 Favored 'General case' 0 C--O 1.224 -0.257 0 C-N-CA 120.686 -0.406 . . . . 0.0 110.581 178.719 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 91.6 t -59.46 -45.33 93.78 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.581 0 N-CA-C 109.409 -0.589 . . . . 0.0 109.409 -179.772 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.446 ' O ' ' HG3' ' A' ' 36' ' ' GLN . 67.3 mt -62.29 -45.85 97.8 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.909 0 CA-C-N 115.2 -0.909 . . . . 0.0 109.936 179.469 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 21.7 m -64.71 -36.1 83.19 Favored 'General case' 0 C--O 1.245 0.83 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.827 -178.676 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 18.8 m-85 -71.75 -38.95 70.34 Favored 'General case' 0 N--CA 1.463 0.197 0 N-CA-C 110.03 -0.359 . . . . 0.0 110.03 178.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 22.1 t -63.97 -32.48 74.03 Favored 'General case' 0 C--O 1.242 0.709 0 CA-C-O 121.382 0.611 . . . . 0.0 110.084 178.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . 0.446 ' HG3' ' O ' ' A' ' 32' ' ' ILE . 78.1 mt-30 -67.17 -40.09 86.53 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.652 176.037 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . 0.523 ' O ' ' HG ' ' A' ' 41' ' ' LEU . 35.9 tt0 -68.38 -42.08 79.66 Favored 'General case' 0 N--CA 1.447 -0.586 0 N-CA-C 109.406 -0.59 . . . . 0.0 109.406 -179.325 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 7.2 tt -53.17 -53.38 51.42 Favored 'General case' 0 CA--C 1.531 0.228 0 O-C-N 124.011 0.819 . . . . 0.0 109.601 177.899 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 15.4 t70 -56.82 -42.41 79.53 Favored 'General case' 0 N--CA 1.477 0.908 0 CA-C-O 121.113 0.482 . . . . 0.0 111.323 179.091 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . 0.477 ' O ' ' HG ' ' A' ' 44' ' ' LEU . 20.0 mmt180 -71.42 -29.37 64.81 Favored 'General case' 0 N--CA 1.439 -0.975 0 N-CA-C 112.715 0.635 . . . . 0.0 112.715 -178.924 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.523 ' HG ' ' O ' ' A' ' 37' ' ' GLU . 98.2 mt -65.83 -37.25 85.7 Favored 'General case' 0 C--N 1.317 -0.818 0 N-CA-C 109.014 -0.736 . . . . 0.0 109.014 174.355 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.508 ' O ' HG13 ' A' ' 46' ' ' ILE . 3.9 mm? -61.94 -39.59 92.61 Favored 'General case' 0 C--O 1.219 -0.508 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.095 173.492 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -63.31 -27.85 69.61 Favored 'General case' 0 N--CA 1.485 1.286 0 CA-C-O 121.372 0.606 . . . . 0.0 111.417 178.522 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.477 ' HG ' ' O ' ' A' ' 40' ' ' ARG . 86.6 mt -72.65 -40.45 66.36 Favored 'General case' 0 C--N 1.312 -1.034 0 CA-C-N 115.751 -0.659 . . . . 0.0 109.261 177.004 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 90.0 mt -64.96 -38.38 90.76 Favored 'General case' 0 CA--C 1.512 -0.512 0 CA-C-N 116.646 -0.252 . . . . 0.0 110.527 177.23 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . 0.508 HG13 ' O ' ' A' ' 42' ' ' LEU . 78.1 mt -59.03 -31.74 46.31 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.475 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.053 177.615 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 34.0 tt0 -67.82 -39.33 83.94 Favored 'General case' 0 C--N 1.313 -0.991 0 N-CA-C 109.484 -0.561 . . . . 0.0 109.484 178.555 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -70.5 -34.91 72.88 Favored 'General case' 0 C--O 1.236 0.376 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.231 176.241 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 11.6 mmmm -59.04 -42.09 89.43 Favored 'General case' 0 C--O 1.22 -0.494 0 CA-C-N 115.941 -0.572 . . . . 0.0 109.588 174.451 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 40.5 m -65.14 -21.74 66.83 Favored 'General case' 0 CA--C 1.552 1.049 0 CA-C-N 115.354 -0.839 . . . . 0.0 111.548 -178.714 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 73.8 mmtt -75.78 -20.37 58.29 Favored 'General case' 0 N--CA 1.455 -0.217 0 N-CA-C 108.774 -0.824 . . . . 0.0 108.774 178.737 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . 0.279 22.2 pttp 53.65 3.48 0.04 OUTLIER 'General case' 0 N--CA 1.488 1.427 0 C-N-CA 127.991 2.516 . . . . 0.0 116.617 175.915 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 61.4 pttt -101.94 17.92 21.94 Favored 'General case' 0 C--N 1.297 -1.688 0 CA-C-O 121.912 0.863 . . . . 0.0 109.237 179.779 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 31.3 mmt180 -100.93 156.27 17.48 Favored 'General case' 0 C--N 1.303 -1.423 0 CA-C-N 115.026 -0.988 . . . . 0.0 110.941 -178.127 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 90.2 m-85 -68.93 -9.78 53.73 Favored 'General case' 0 C--O 1.216 -0.693 0 N-CA-C 113.089 0.774 . . . . 0.0 113.089 -173.15 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 2.0 p -72.46 -24.88 61.26 Favored 'General case' 0 C--N 1.3 -1.561 0 CA-C-O 121.328 0.585 . . . . 0.0 110.717 176.382 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 88.0 mt -110.05 -29.47 8.21 Favored 'General case' 0 N--CA 1.442 -0.844 0 CA-C-N 116.022 -0.536 . . . . 0.0 111.43 175.436 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 85.4 mt -71.78 -33.7 68.82 Favored 'General case' 0 CA--C 1.518 -0.257 0 CA-C-N 116.371 -0.377 . . . . 0.0 111.104 -179.32 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 32.4 mm-40 -104.88 117.97 35.37 Favored 'General case' 0 N--CA 1.421 -1.889 0 N-CA-C 108.263 -1.014 . . . . 0.0 108.263 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 8.9 p-80 -65.42 112.9 3.76 Favored 'General case' 0 C--N 1.298 -1.648 0 CA-C-N 115.663 -0.699 . . . . 0.0 111.26 179.399 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 20.7 p80 -136.51 124.89 23.35 Favored 'General case' 0 N--CA 1.433 -1.291 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.692 178.028 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 35.0 t-80 62.39 97.62 0.03 OUTLIER 'General case' 0 C--O 1.245 0.855 0 C-N-CA 125.494 1.518 . . . . 0.0 112.85 177.633 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 33.9 t60 -94.06 118.69 31.88 Favored 'General case' 0 C--N 1.303 -1.422 0 N-CA-C 107.9 -1.148 . . . . 0.0 107.9 176.616 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 49.7 t-80 . . . . . 0 C--N 1.295 -1.789 0 N-CA-C 108.704 -0.85 . . . . 0.0 108.704 -178.561 . . . . . . . . 0 0 . 1 . 021 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 64.8 mtt . . . . . 0 CA--C 1.501 -0.921 0 N-CA-C 108.879 -0.785 . . . . 0.0 108.879 . . . . . . . . . 0 0 . 1 . 021 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 3.4 m-20 -81.68 139.77 34.74 Favored 'General case' 0 C--N 1.302 -1.464 0 N-CA-C 108.066 -1.087 . . . . 0.0 108.066 177.188 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 27.3 m -68.5 -22.44 27.08 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.638 0 N-CA-C 112.265 0.468 . . . . 0.0 112.265 -175.432 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 9.0 t -65.96 -38.02 87.5 Favored 'General case' 0 CA--C 1.551 1.007 0 CA-C-O 121.083 0.468 . . . . 0.0 109.82 176.092 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 26.9 mmtt -77.62 -30.14 52.16 Favored 'General case' 0 N--CA 1.437 -1.075 0 O-C-N 121.886 -0.509 . . . . 0.0 111.796 176.386 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.406 ' O ' HG13 ' A' ' 10' ' ' ILE . 58.8 tp -61.88 -43.22 99.28 Favored 'General case' 0 C--N 1.319 -0.727 0 N-CA-C 107.88 -1.155 . . . . 0.0 107.88 173.891 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 25.8 t-20 -63.52 -40.32 96.73 Favored 'General case' 0 C--O 1.212 -0.92 0 CA-C-N 115.096 -0.956 . . . . 0.0 110.588 178.186 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 32.6 t70 -58.62 -37.96 77.02 Favored 'General case' 0 N--CA 1.488 1.432 0 CA-C-O 121.248 0.547 . . . . 0.0 111.36 178.26 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 81.1 mtp180 -65.17 -50.19 66.93 Favored 'General case' 0 C--O 1.243 0.757 0 CA-C-O 121.41 0.624 . . . . 0.0 109.74 177.035 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.528 ' O ' ' HG2' ' A' ' 14' ' ' LYS . 74.3 mt -62.88 -44.12 99.37 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.739 0 CA-C-N 114.555 -1.202 . . . . 0.0 110.89 -178.137 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 7.8 tp10 -56.57 -40.09 74.61 Favored 'General case' 0 C--N 1.33 -0.247 0 C-N-CA 123.79 0.836 . . . . 0.0 110.65 -178.02 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -65.45 -36.73 84.79 Favored 'General case' 0 C--N 1.316 -0.852 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.645 178.41 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 34.9 mmtp -76.56 -39.85 51.54 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.623 -177.828 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.528 ' HG2' ' O ' ' A' ' 10' ' ' ILE . 10.1 ptmm? -73.89 -31.87 63.32 Favored 'General case' 0 C--N 1.313 -0.987 0 N-CA-C 112.76 0.652 . . . . 0.0 112.76 -179.746 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.418 ' C ' ' HD3' ' A' ' 15' ' ' LYS . 0.0 OUTLIER -65.42 -32.71 74.48 Favored 'General case' 0 C--O 1.237 0.415 0 C-N-CA 119.728 -0.789 . . . . 0.0 109.431 175.936 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . 0.546 ' O ' ' HG ' ' A' ' 20' ' ' LEU . 34.5 tt0 -73.01 -46.48 51.88 Favored 'General case' 0 N--CA 1.431 -1.397 0 CA-C-N 114.71 -1.132 . . . . 0.0 109.109 177.01 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.518 ' O ' HG21 ' A' ' 21' ' ' VAL . 58.0 tp -56.68 -45.83 81.5 Favored 'General case' 0 C--O 1.216 -0.676 0 CA-C-N 115.802 -0.635 . . . . 0.0 111.561 179.447 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . 0.515 HG13 ' O ' ' A' ' 14' ' ' LYS . 75.9 mt -59.95 -42.7 90.35 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.448 0 N-CA-C 109.561 -0.533 . . . . 0.0 109.561 178.882 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 79.1 t80 -61.68 -39.62 92.05 Favored 'General case' 0 C--O 1.239 0.541 0 CA-C-O 121.325 0.583 . . . . 0.0 109.838 177.653 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.546 ' HG ' ' O ' ' A' ' 16' ' ' GLU . 76.9 mt -66.86 -35.61 80.42 Favored 'General case' 0 C--O 1.212 -0.899 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.466 178.404 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.518 HG21 ' O ' ' A' ' 17' ' ' LEU . 82.6 t -67.29 -36.79 77.65 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.795 0 CA-C-O 120.97 0.414 . . . . 0.0 110.23 177.158 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . 0.509 ' HG3' ' O ' ' A' ' 18' ' ' ILE . 48.1 mt-10 -67.89 -51.68 45.21 Favored 'General case' 0 C--N 1.309 -1.161 0 CA-C-O 120.946 0.403 . . . . 0.0 110.503 177.896 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 74.4 mmtt -81.96 -47.99 12.02 Favored 'General case' 0 C--N 1.32 -0.675 0 N-CA-C 113.816 1.043 . . . . 0.0 113.816 -174.229 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 90.4 m-85 -96.84 -37.52 10.21 Favored 'General case' 0 C--N 1.311 -1.106 0 CA-C-O 120.718 0.294 . . . . 0.0 110.996 -176.001 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 78.66 159.47 14.29 Favored Glycine 0 C--O 1.258 1.631 0 CA-C-N 115.902 -0.59 . . . . 0.0 114.086 175.709 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 43.6 m-85 -72.16 87.09 1.08 Allowed 'General case' 0 N--CA 1.441 -0.879 0 CA-C-O 121.933 0.873 . . . . 0.0 111.15 176.205 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 14.8 t -169.49 -28.75 0.02 OUTLIER 'General case' 0 C--N 1.288 -2.084 0 N-CA-C 105.911 -1.885 . . . . 0.0 105.911 178.199 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 35.2 m80 -74.39 131.31 40.98 Favored 'General case' 0 N--CA 1.434 -1.259 0 CA-C-N 114.431 -1.258 . . . . 0.0 108.521 170.902 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 56.1 t60 -61.86 -32.85 73.24 Favored 'General case' 0 C--N 1.32 -0.699 0 O-C-N 123.786 0.679 . . . . 0.0 109.26 -179.883 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 44.1 mmtm -50.92 -58.94 4.74 Favored 'General case' 0 C--O 1.225 -0.226 0 O-C-N 123.802 0.689 . . . . 0.0 110.857 175.109 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 59.5 t -59.48 -42.98 89.6 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.71 0 C-N-CA 123.34 0.656 . . . . 0.0 110.81 -177.69 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 71.1 mt -66.06 -41.86 90.4 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.868 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.522 -179.423 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 20.7 t -66.98 -43.34 83.28 Favored 'General case' 0 C--N 1.317 -0.811 0 C-N-CA 122.697 0.399 . . . . 0.0 110.092 179.933 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 24.6 m-85 -66.08 -33.26 75.38 Favored 'General case' 0 C--O 1.214 -0.769 0 C-N-CA 120.97 -0.292 . . . . 0.0 110.692 178.595 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 11.5 t -67.49 -44.12 79.29 Favored 'General case' 0 C--N 1.319 -0.741 0 N-CA-C 109.723 -0.473 . . . . 0.0 109.723 179.055 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 49.7 mt-30 -65.43 -33.12 75.21 Favored 'General case' 0 N--CA 1.471 0.582 0 CA-C-O 121.635 0.731 . . . . 0.0 110.372 177.962 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 40.9 tp10 -69.39 -45.36 69.49 Favored 'General case' 0 N--CA 1.438 -1.053 0 CA-C-N 115.539 -0.755 . . . . 0.0 109.091 177.602 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 1.3 tm? -61.29 -37.43 83.17 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.309 -0.859 . . . . 0.0 108.816 178.866 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 29.5 m-20 -56.64 -44.08 80.92 Favored 'General case' 0 CA--C 1.509 -0.631 0 CA-C-O 120.65 0.262 . . . . 0.0 111.186 175.643 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 26.9 tpt180 -70.75 -36.87 73.32 Favored 'General case' 0 C--N 1.319 -0.757 0 C-N-CA 120.363 -0.535 . . . . 0.0 110.849 179.508 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 10.8 mp -62.64 -40.92 98.54 Favored 'General case' 0 N--CA 1.474 0.743 0 CA-C-O 120.937 0.398 . . . . 0.0 111.151 175.379 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 50.7 tp -63.94 -30.5 71.58 Favored 'General case' 0 C--N 1.318 -0.799 0 CA-C-O 121.738 0.78 . . . . 0.0 109.805 177.876 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . 0.505 ' O ' ' HG2' ' A' ' 47' ' ' GLU . 8.4 m-80 -75.36 -17.87 60.12 Favored 'General case' 0 C--N 1.316 -0.875 0 CA-C-N 115.046 -0.979 . . . . 0.0 112.476 177.583 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 95.6 mt -63.95 -31.86 73.19 Favored 'General case' 0 C--O 1.22 -0.494 0 CA-C-O 120.844 0.354 . . . . 0.0 110.722 179.649 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.48 ' O ' ' HG3' ' A' ' 49' ' ' LYS . 6.5 mp -63.37 -38.23 90.34 Favored 'General case' 0 C--N 1.322 -0.587 0 N-CA-C 109.202 -0.666 . . . . 0.0 109.202 176.135 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 86.6 mt -69.25 -40.71 80.65 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.664 0 CA-C-N 114.998 -1.001 . . . . 0.0 109.72 178.054 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . 0.505 ' HG2' ' O ' ' A' ' 43' ' ' ASN . 32.9 mm-40 -58.84 -47.23 85.58 Favored 'General case' 0 C--N 1.318 -0.794 0 N-CA-C 108.986 -0.746 . . . . 0.0 108.986 176.813 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -61.07 -35.58 77.34 Favored 'General case' 0 N--CA 1.469 0.519 0 N-CA-C 112.369 0.507 . . . . 0.0 112.369 177.039 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . 0.48 ' HG3' ' O ' ' A' ' 45' ' ' LEU . 55.8 mtpt -67.24 -33.17 74.79 Favored 'General case' 0 N--CA 1.471 0.611 0 CA-C-O 121.109 0.48 . . . . 0.0 110.15 176.416 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 31.9 m -75.05 -43.42 53.47 Favored 'General case' 0 N--CA 1.437 -1.09 0 CA-C-N 115.279 -0.873 . . . . 0.0 110.135 -179.432 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 1.9 mptm? -63.99 -51.59 63.54 Favored 'General case' 0 N--CA 1.445 -0.694 0 N-CA-C 110.05 -0.352 . . . . 0.0 110.05 175.561 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 21.8 pttm 40.69 37.58 0.51 Allowed 'General case' 0 N--CA 1.495 1.804 0 C-N-CA 125.837 1.655 . . . . 0.0 113.528 176.607 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . 0.584 ' HD3' ' H ' ' A' ' 54' ' ' ARG 0.386 0.0 OUTLIER -102.11 -73.19 0.66 Allowed 'General case' 0 N--CA 1.408 -2.56 0 N-CA-C 114.274 1.213 . . . . 0.0 114.274 -177.047 . . . . . . . . 4 4 . 1 . 021 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . 0.584 ' H ' ' HD3' ' A' ' 53' ' ' LYS . 55.0 mtm180 -143.13 94.14 2.59 Favored 'General case' 0 C--N 1.314 -0.948 0 CA-C-N 119.028 0.831 . . . . 0.0 110.176 177.747 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 55' ' ' TYR . . . . . 0.402 ' CE1' ' HG ' ' A' ' 57' ' ' LEU . 18.4 p90 -136.35 -51.45 0.7 Allowed 'General case' 0 C--N 1.298 -1.636 0 CA-C-N 115.722 -0.672 . . . . 0.0 109.594 175.679 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 24.8 t -155.89 26.43 0.38 Allowed 'General case' 0 N--CA 1.436 -1.135 0 CA-C-O 121.362 0.601 . . . . 0.0 109.385 -179.772 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.402 ' HG ' ' CE1' ' A' ' 55' ' ' TYR . 76.0 mt -106.31 16.86 24.25 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-O 122.112 0.958 . . . . 0.0 108.787 179.537 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -87.42 -20.5 26.56 Favored 'General case' 0 C--N 1.317 -0.82 0 CA-C-N 114.795 -1.093 . . . . 0.0 109.073 -177.874 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 39.3 mt-10 -117.18 102.61 9.44 Favored 'General case' 0 C--N 1.315 -0.923 0 CA-C-N 115.323 -0.853 . . . . 0.0 109.767 179.867 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 34.2 m170 -132.87 155.71 48.52 Favored 'General case' 0 C--N 1.295 -1.782 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.227 179.671 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 17.7 p80 -93.0 -15.13 26.55 Favored 'General case' 0 C--N 1.316 -0.889 0 N-CA-C 107.244 -1.391 . . . . 0.0 107.244 170.271 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 40.0 t-80 -77.39 100.01 5.8 Favored 'General case' 0 N--CA 1.438 -1.056 0 N-CA-C 107.027 -1.471 . . . . 0.0 107.027 171.851 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 97.4 m-70 -78.54 108.77 12.16 Favored 'General case' 0 C--N 1.305 -1.362 0 CA-C-O 121.167 0.508 . . . . 0.0 110.701 -176.654 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 80.2 t60 . . . . . 0 C--N 1.3 -1.566 0 N-CA-C 106.642 -1.614 . . . . 0.0 106.642 -178.789 . . . . . . . . 0 0 . 1 . 022 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 72.3 mtm . . . . . 0 N--CA 1.467 0.379 0 CA-C-O 120.646 0.26 . . . . 0.0 110.725 . . . . . . . . . 0 0 . 1 . 022 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 14.3 m120 -100.4 97.4 8.15 Favored 'General case' 0 C--O 1.251 1.158 0 C-N-CA 120.15 -0.62 . . . . 0.0 112.107 -176.273 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 27.7 m -68.32 -23.05 27.95 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.72 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.319 178.519 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 12.2 t -65.87 -32.77 74.48 Favored 'General case' 0 N--CA 1.441 -0.918 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.014 176.824 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 42.0 mmtm -78.59 -30.47 46.68 Favored 'General case' 0 CA--C 1.505 -0.784 0 CA-C-O 120.704 0.288 . . . . 0.0 110.639 178.042 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 45.5 tp -68.0 -43.81 78.03 Favored 'General case' 0 C--N 1.316 -0.864 0 N-CA-C 107.984 -1.117 . . . . 0.0 107.984 175.99 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . 0.5 ' O ' ' HG2' ' A' ' 11' ' ' GLU . 7.9 t30 -60.94 -40.99 95.38 Favored 'General case' 0 C--O 1.219 -0.539 0 CA-C-N 115.092 -0.958 . . . . 0.0 109.522 176.351 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 19.2 t70 -58.99 -34.42 71.81 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-N 114.742 -1.117 . . . . 0.0 110.663 179.688 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 61.8 mtp180 -67.85 -39.46 83.8 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.67 -0.696 . . . . 0.0 110.12 176.849 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.492 ' O ' ' HG3' ' A' ' 14' ' ' LYS . 53.9 mt -63.17 -42.63 97.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 N-CA-C 108.704 -0.85 . . . . 0.0 108.704 178.421 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . 0.5 ' HG2' ' O ' ' A' ' 7' ' ' ASN . 16.8 mm-40 -55.5 -47.22 76.55 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.411 -0.813 . . . . 0.0 111.056 179.103 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -70.46 -27.85 64.56 Favored 'General case' 0 C--O 1.246 0.889 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.853 -179.261 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 18.1 tptm -77.24 -33.11 56.12 Favored 'General case' 0 C--N 1.317 -0.811 0 N-CA-C 109.118 -0.697 . . . . 0.0 109.118 -178.361 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.572 ' O ' HG12 ' A' ' 18' ' ' ILE . 97.9 mttt -58.77 -49.29 78.2 Favored 'General case' 0 C--O 1.21 -0.975 0 CA-C-N 115.649 -0.705 . . . . 0.0 109.323 173.501 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 29.1 mtpp -58.76 -40.08 82.87 Favored 'General case' 0 N--CA 1.47 0.53 0 O-C-N 123.853 0.721 . . . . 0.0 110.45 -179.375 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 33.4 tt0 -65.72 -42.26 91.29 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-N 115.637 -0.711 . . . . 0.0 109.23 179.221 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.495 ' O ' HG21 ' A' ' 21' ' ' VAL . 55.1 tp -64.15 -41.59 97.12 Favored 'General case' 0 N--CA 1.445 -0.72 0 CA-C-N 115.37 -0.832 . . . . 0.0 110.862 179.375 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . 0.572 HG12 ' O ' ' A' ' 14' ' ' LYS . 27.3 mm -53.81 -51.98 39.34 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.678 0 N-CA-C 108.468 -0.938 . . . . 0.0 108.468 179.511 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 54.1 t80 -55.96 -43.52 77.6 Favored 'General case' 0 C--N 1.314 -0.976 0 CA-C-N 113.528 -1.669 . . . . 0.0 110.449 -178.281 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.486 HD12 ' CE2' ' A' ' 34' ' ' PHE . 80.5 mt -74.49 -36.34 63.26 Favored 'General case' 0 C--N 1.309 -1.169 0 CA-C-N 115.438 -0.801 . . . . 0.0 112.775 -178.556 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.495 HG21 ' O ' ' A' ' 17' ' ' LEU . 87.9 t -64.72 -40.87 90.55 Favored 'Isoleucine or valine' 0 C--O 1.241 0.606 0 CA-C-O 120.827 0.346 . . . . 0.0 110.252 178.554 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . 0.439 ' HG2' ' O ' ' A' ' 18' ' ' ILE . 44.2 mm-40 -64.51 -33.14 75.21 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-O 121.19 0.519 . . . . 0.0 110.802 179.193 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 59.3 mttm -82.03 -44.81 16.14 Favored 'General case' 0 C--N 1.316 -0.853 0 N-CA-C 113.976 1.102 . . . . 0.0 113.976 -179.056 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 89.8 m-85 -109.12 -20.34 13.03 Favored 'General case' 0 C--N 1.305 -1.328 0 N-CA-C 114.491 1.293 . . . . 0.0 114.491 -170.464 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 89.72 174.06 45.64 Favored Glycine 0 C--N 1.306 -1.092 0 C-N-CA 119.797 -1.192 . . . . 0.0 111.929 -178.955 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 26.0 p90 -84.34 -20.24 32.34 Favored 'General case' 0 C--N 1.309 -1.163 0 CA-C-O 121.148 0.499 . . . . 0.0 111.515 -176.155 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 6.4 m -84.82 -6.17 59.34 Favored 'General case' 0 CA--C 1.553 1.088 0 CA-C-O 121.495 0.665 . . . . 0.0 111.256 -176.01 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 57.7 t60 -77.8 124.99 28.66 Favored 'General case' 0 C--N 1.316 -0.883 0 N-CA-C 108.861 -0.792 . . . . 0.0 108.861 -179.327 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 45.0 m80 -56.53 -42.6 78.75 Favored 'General case' 0 N--CA 1.483 1.216 0 N-CA-C 112.918 0.71 . . . . 0.0 112.918 -173.952 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 29.7 mtpp -60.36 -40.0 89.21 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.581 -0.282 . . . . 0.0 111.073 179.389 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.401 ' HA ' ' CD2' ' A' ' 34' ' ' PHE . 94.9 t -64.4 -39.0 84.01 Favored 'Isoleucine or valine' 0 C--O 1.247 0.95 0 CA-C-O 121.007 0.432 . . . . 0.0 110.101 179.909 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.507 ' O ' ' HG2' ' A' ' 36' ' ' GLN . 70.3 mt -60.95 -44.87 98.95 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.654 0 N-CA-C 109.142 -0.688 . . . . 0.0 109.142 176.157 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 22.7 t -63.35 -37.81 88.71 Favored 'General case' 0 CA--C 1.546 0.82 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.05 179.522 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . 0.486 ' CE2' HD12 ' A' ' 20' ' ' LEU . 16.3 m-85 -67.29 -35.9 80.43 Favored 'General case' 0 N--CA 1.471 0.616 0 CA-C-O 121.374 0.607 . . . . 0.0 109.876 178.695 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 31.4 m -66.84 -33.56 75.88 Favored 'General case' 0 C--N 1.317 -0.82 0 CA-C-N 115.426 -0.806 . . . . 0.0 110.07 178.272 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . 0.507 ' HG2' ' O ' ' A' ' 32' ' ' ILE . 27.7 mm-40 -67.1 -39.05 86.65 Favored 'General case' 0 C--O 1.225 -0.229 0 N-CA-C 109.097 -0.705 . . . . 0.0 109.097 176.703 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 49.4 mt-10 -59.84 -47.93 83.72 Favored 'General case' 0 CA--C 1.512 -0.511 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.112 178.101 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 1.5 tm? -58.43 -46.59 86.19 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.406 -0.815 . . . . 0.0 109.574 -177.421 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 17.1 t70 -61.79 -44.28 97.19 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.841 -0.618 . . . . 0.0 111.683 178.944 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -67.98 -37.83 81.97 Favored 'General case' 0 C--N 1.313 -0.984 0 N-CA-C 112.351 0.5 . . . . 0.0 112.351 -177.975 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 11.0 mp -66.81 -36.77 83.14 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 120.783 0.325 . . . . 0.0 110.679 175.253 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 50.7 tp -66.31 -35.83 81.37 Favored 'General case' 0 C--O 1.239 0.5 0 CA-C-O 121.387 0.613 . . . . 0.0 109.846 177.995 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 19.3 m-80 -67.2 -17.78 64.97 Favored 'General case' 0 CA--C 1.503 -0.862 0 CA-C-N 115.581 -0.736 . . . . 0.0 112.338 178.163 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 96.0 mt -66.2 -35.07 79.47 Favored 'General case' 0 C--N 1.32 -0.693 0 N-CA-C 110.263 -0.273 . . . . 0.0 110.263 177.782 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.468 HD23 ' HB2' ' A' ' 7' ' ' ASN . 7.7 mp -73.25 -41.66 63.43 Favored 'General case' 0 CA--C 1.507 -0.692 0 CA-C-O 121.414 0.626 . . . . 0.0 109.579 175.222 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 65.4 mt -60.76 -29.8 45.85 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.762 0 CA-C-N 114.931 -1.031 . . . . 0.0 109.981 179.582 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . 0.522 ' O ' ' HG3' ' A' ' 51' ' ' LYS . 9.0 tp10 -59.75 -35.24 74.18 Favored 'General case' 0 CA--C 1.54 0.592 0 C-N-CA 123.919 0.888 . . . . 0.0 110.85 178.934 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -71.37 -34.92 70.88 Favored 'General case' 0 CA--C 1.516 -0.338 0 CA-C-O 121.376 0.608 . . . . 0.0 109.786 177.655 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 14.6 mmmm -72.02 -43.88 64.32 Favored 'General case' 0 C--N 1.309 -1.168 0 CA-C-N 115.323 -0.853 . . . . 0.0 110.546 -178.726 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 23.5 p -65.39 -16.35 63.53 Favored 'General case' 0 C--O 1.245 0.851 0 N-CA-C 113.519 0.933 . . . . 0.0 113.519 -178.92 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . 0.526 ' C ' ' H ' ' A' ' 53' ' ' LYS . 61.3 mtpt -61.42 -41.03 96.52 Favored 'General case' 0 N--CA 1.438 -1.033 0 N-CA-C 108.184 -1.043 . . . . 0.0 108.184 173.579 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . 0.401 ' C ' ' H ' ' A' ' 54' ' ' ARG 0.276 22.7 pttp 52.21 -6.59 0.01 OUTLIER 'General case' 0 N--CA 1.506 2.359 0 C-N-CA 127.697 2.399 . . . . 0.0 115.851 -178.098 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . 0.526 ' H ' ' C ' ' A' ' 51' ' ' LYS . 0.1 OUTLIER -87.7 25.68 1.45 Allowed 'General case' 0 C--N 1.294 -1.833 0 CA-C-O 121.985 0.898 . . . . 0.0 109.345 176.009 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . 0.401 ' H ' ' C ' ' A' ' 52' ' ' LYS . 46.5 mtp180 -74.31 142.87 45.15 Favored 'General case' 0 N--CA 1.427 -1.614 0 N-CA-C 107.175 -1.417 . . . . 0.0 107.175 -178.907 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 97.5 m-85 -68.71 -19.37 64.36 Favored 'General case' 0 C--N 1.302 -1.473 0 N-CA-C 112.251 0.463 . . . . 0.0 112.251 -173.65 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 4.6 p -67.84 -23.16 65.13 Favored 'General case' 0 C--N 1.309 -1.191 0 CA-C-N 116.079 -0.51 . . . . 0.0 111.028 174.587 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 82.3 mt -96.51 -44.67 7.07 Favored 'General case' 0 N--CA 1.451 -0.409 0 CA-C-N 116.183 -0.462 . . . . 0.0 109.823 178.358 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 71.6 mt -75.82 -44.25 42.01 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-N 115.586 -0.734 . . . . 0.0 112.698 -175.211 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 48.2 mm-40 -108.09 -162.0 0.8 Allowed 'General case' 0 C--N 1.299 -1.624 0 N-CA-C 108.922 -0.77 . . . . 0.0 108.922 -174.3 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 40.0 m-70 -106.95 150.41 26.49 Favored 'General case' 0 C--N 1.291 -1.971 0 N-CA-C 107.686 -1.227 . . . . 0.0 107.686 172.863 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 16.3 m-70 73.34 167.45 0.31 Allowed 'General case' 0 C--N 1.32 -0.692 0 O-C-N 124.645 1.216 . . . . 0.0 111.19 -174.455 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 79.8 m80 -97.24 -2.56 42.49 Favored 'General case' 0 C--N 1.301 -1.532 0 CA-C-N 116.035 -0.529 . . . . 0.0 111.408 -176.488 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 59.9 t-80 -127.91 139.97 52.28 Favored 'General case' 0 C--N 1.299 -1.621 0 N-CA-C 108.502 -0.925 . . . . 0.0 108.502 -179.263 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 40.3 t60 . . . . . 0 C--N 1.302 -1.495 0 N-CA-C 108.389 -0.967 . . . . 0.0 108.389 179.371 . . . . . . . . 0 0 . 1 . 023 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 22.1 ptp . . . . . 0 CA--C 1.513 -0.469 0 N-CA-C 109.664 -0.495 . . . . 0.0 109.664 . . . . . . . . . 0 0 . 1 . 023 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 54.7 m-80 72.35 111.07 0.06 Allowed 'General case' 0 N--CA 1.481 1.088 0 C-N-CA 125.084 1.354 . . . . 0.0 111.749 -178.277 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 31.1 m -65.58 -28.02 43.14 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.668 0 CA-C-N 115.349 -0.841 . . . . 0.0 112.783 -173.822 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 9.9 t -65.19 -41.72 94.29 Favored 'General case' 0 N--CA 1.44 -0.972 0 C-N-CA 120.683 -0.407 . . . . 0.0 111.639 -179.84 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . 0.496 ' HZ2' ' HB3' ' A' ' 5' ' ' LYS . 0.3 OUTLIER -78.13 -28.28 48.46 Favored 'General case' 0 N--CA 1.443 -0.801 0 C-N-CA 119.547 -0.861 . . . . 0.0 110.408 178.517 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.551 ' O ' HG13 ' A' ' 10' ' ' ILE . 56.0 tp -60.22 -52.19 66.34 Favored 'General case' 0 C--O 1.224 -0.254 0 N-CA-C 109.065 -0.717 . . . . 0.0 109.065 176.361 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . 0.4 HD21 ' C ' ' A' ' 7' ' ' ASN . 0.2 OUTLIER -62.26 -40.57 96.66 Favored 'General case' 0 C--O 1.24 0.564 0 CA-C-N 115.657 -0.701 . . . . 0.0 109.312 179.732 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 32.6 t70 -59.88 -47.19 86.76 Favored 'General case' 0 C--N 1.312 -1.028 0 CA-C-N 115.56 -0.745 . . . . 0.0 112.207 179.698 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . 0.48 ' HG3' ' O ' ' A' ' 5' ' ' LYS . 83.5 mtp180 -63.36 -35.05 79.11 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 120.963 0.411 . . . . 0.0 110.848 179.369 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.551 HG13 ' O ' ' A' ' 6' ' ' LEU . 70.7 mt -64.0 -48.88 84.05 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.684 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.29 178.622 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 50.1 mt-10 -64.4 -31.55 72.8 Favored 'General case' 0 C--O 1.239 0.502 0 CA-C-O 120.835 0.35 . . . . 0.0 111.851 179.021 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -67.29 -37.09 82.84 Favored 'General case' 0 C--N 1.316 -0.859 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.503 176.804 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 83.5 mttt -77.3 -31.69 54.9 Favored 'General case' 0 CA--C 1.503 -0.83 0 C-N-CA 120.071 -0.652 . . . . 0.0 110.414 179.264 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.483 ' O ' HG13 ' A' ' 18' ' ' ILE . 55.0 mttm -60.2 -45.95 91.4 Favored 'General case' 0 C--N 1.317 -0.823 0 CA-C-N 115.764 -0.653 . . . . 0.0 110.93 175.435 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.95 -29.55 66.7 Favored 'General case' 0 N--CA 1.444 -0.728 0 C-N-CA 120.537 -0.465 . . . . 0.0 110.895 179.917 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . 0.601 ' O ' ' HG ' ' A' ' 20' ' ' LEU . 16.6 tp10 -66.29 -45.04 81.78 Favored 'General case' 0 C--O 1.223 -0.301 0 N-CA-C 107.554 -1.276 . . . . 0.0 107.554 177.009 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.459 ' O ' HG21 ' A' ' 21' ' ' VAL . 34.1 tp -64.15 -40.39 96.06 Favored 'General case' 0 N--CA 1.438 -1.072 0 CA-C-N 114.871 -1.059 . . . . 0.0 110.433 179.39 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . 0.51 ' O ' ' HG3' ' A' ' 22' ' ' GLU . 78.6 mt -58.98 -47.67 89.06 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.722 0 N-CA-C 109.771 -0.455 . . . . 0.0 109.771 176.395 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 55.2 t80 -53.58 -44.03 69.01 Favored 'General case' 0 C--O 1.244 0.8 0 C-N-CA 123.985 0.914 . . . . 0.0 109.857 177.323 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.601 ' HG ' ' O ' ' A' ' 16' ' ' GLU . 79.3 mt -65.94 -44.11 86.03 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 115.226 -0.897 . . . . 0.0 110.75 179.684 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.459 HG21 ' O ' ' A' ' 17' ' ' LEU . 84.9 t -64.02 -38.61 82.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 CA-C-N 116.508 -0.314 . . . . 0.0 110.457 179.406 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . 0.51 ' HG3' ' O ' ' A' ' 18' ' ' ILE . 48.6 mt-10 -63.8 -50.85 67.34 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-O 121.032 0.444 . . . . 0.0 110.576 177.86 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 31.0 mmmt -80.1 -48.2 13.61 Favored 'General case' 0 C--N 1.315 -0.915 0 N-CA-C 114.292 1.219 . . . . 0.0 114.292 -173.455 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 57.8 m-85 -97.83 -43.21 7.22 Favored 'General case' 0 C--N 1.297 -1.688 0 CA-C-O 121.388 0.613 . . . . 0.0 110.379 -174.459 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 120.39 -166.44 13.72 Favored Glycine 0 N--CA 1.431 -1.665 0 N-CA-C 109.643 -1.383 . . . . 0.0 109.643 -176.166 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 41.7 p90 -115.2 1.86 13.94 Favored 'General case' 0 C--N 1.304 -1.375 0 CA-C-O 121.317 0.58 . . . . 0.0 111.715 -178.74 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 21.1 m -97.72 -2.88 40.28 Favored 'General case' 0 C--N 1.309 -1.158 0 CA-C-O 122.472 1.129 . . . . 0.0 108.825 178.471 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 49.8 t60 -78.68 128.45 33.47 Favored 'General case' 0 N--CA 1.439 -1.021 0 CA-C-N 114.535 -1.211 . . . . 0.0 108.612 -179.187 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 13.7 t-80 -53.47 -48.44 68.89 Favored 'General case' 0 N--CA 1.472 0.663 0 N-CA-C 114.18 1.178 . . . . 0.0 114.18 -171.073 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 22.1 pttm -66.84 -27.04 67.23 Favored 'General case' 0 C--O 1.216 -0.668 0 C-N-CA 119.246 -0.982 . . . . 0.0 112.904 -179.435 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.401 HG21 ' HB3' ' A' ' 20' ' ' LEU . 59.4 t -67.98 -41.71 84.84 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.897 0 N-CA-C 109.025 -0.731 . . . . 0.0 109.025 178.697 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 66.3 mt -66.4 -36.31 77.04 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.646 0 N-CA-C 108.918 -0.771 . . . . 0.0 108.918 176.92 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 22.6 t -60.84 -46.28 91.18 Favored 'General case' 0 N--CA 1.44 -0.966 0 CA-C-N 115.462 -0.79 . . . . 0.0 110.253 178.402 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 70.6 m-85 -66.53 -30.57 70.91 Favored 'General case' 0 CA--C 1.516 -0.354 0 N-CA-C 111.799 0.296 . . . . 0.0 111.799 177.792 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 23.0 t -61.6 -35.66 78.5 Favored 'General case' 0 C--O 1.244 0.772 0 N-CA-C 109.657 -0.497 . . . . 0.0 109.657 179.153 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 79.8 mm-40 -64.34 -41.13 96.94 Favored 'General case' 0 N--CA 1.465 0.316 0 CA-C-O 121.408 0.623 . . . . 0.0 109.559 175.922 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 28.0 mm-40 -64.36 -43.85 93.28 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.363 -0.835 . . . . 0.0 111.007 -179.926 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.54 ' O ' ' HG ' ' A' ' 42' ' ' LEU . 4.3 mm? -62.81 -40.36 97.14 Favored 'General case' 0 CA--C 1.51 -0.591 0 CA-C-N 115.991 -0.55 . . . . 0.0 111.134 176.663 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 16.8 t70 -57.86 -44.92 86.91 Favored 'General case' 0 N--CA 1.473 0.71 0 CA-C-O 121.511 0.672 . . . . 0.0 109.935 177.235 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 98.2 mtt180 -60.04 -43.24 95.47 Favored 'General case' 0 C--N 1.316 -0.853 0 CA-C-N 115.125 -0.943 . . . . 0.0 111.529 177.075 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.509 ' HB3' HG12 ' A' ' 10' ' ' ILE . 98.1 mt -69.17 -38.81 78.9 Favored 'General case' 0 C--N 1.318 -0.804 0 CA-C-N 116.042 -0.526 . . . . 0.0 111.361 179.328 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.54 ' HG ' ' O ' ' A' ' 38' ' ' LEU . 95.9 mt -60.55 -35.28 75.65 Favored 'General case' 0 C--N 1.317 -0.825 0 CA-C-O 121.191 0.52 . . . . 0.0 110.298 175.743 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 24.2 m-80 -68.64 -18.34 64.28 Favored 'General case' 0 C--N 1.314 -0.951 0 CA-C-N 115.772 -0.649 . . . . 0.0 112.087 176.437 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.504 ' O ' ' HB2' ' A' ' 47' ' ' GLU . 97.5 mt -75.33 -40.64 58.12 Favored 'General case' 0 C--O 1.214 -0.806 0 N-CA-C 108.585 -0.894 . . . . 0.0 108.585 175.296 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 91.8 mt -62.59 -38.46 90.23 Favored 'General case' 0 C--O 1.239 0.55 0 CA-C-O 120.971 0.415 . . . . 0.0 110.024 174.828 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 70.4 mt -57.45 -38.81 65.12 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.277 0 CA-C-N 115.651 -0.704 . . . . 0.0 110.514 176.484 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . 0.504 ' HB2' ' O ' ' A' ' 44' ' ' LEU . 37.0 mm-40 -57.13 -32.84 66.76 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 115.994 -0.548 . . . . 0.0 112.264 177.575 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.441 ' HB3' ' HD3' ' A' ' 54' ' ' ARG . 3.0 mm? -77.42 -29.69 53.11 Favored 'General case' 0 C--O 1.241 0.631 0 CA-C-O 121.155 0.502 . . . . 0.0 110.816 177.977 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 94.3 mttt -69.96 -49.51 51.06 Favored 'General case' 0 C--N 1.316 -0.878 0 CA-C-O 121.445 0.64 . . . . 0.0 109.453 179.52 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 31.8 p -68.66 -21.85 64.43 Favored 'General case' 0 C--N 1.309 -1.158 0 CA-C-N 114.663 -1.153 . . . . 0.0 113.035 -174.543 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 48.8 mttp -73.67 -16.08 61.22 Favored 'General case' 0 C--N 1.319 -0.742 0 N-CA-C 112.571 0.582 . . . . 0.0 112.571 177.085 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 20.4 ptmt 54.78 11.85 0.51 Allowed 'General case' 0 N--CA 1.494 1.752 0 C-N-CA 125.943 1.697 . . . . 0.0 114.546 174.703 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 20.7 ptmt -95.67 7.32 46.63 Favored 'General case' 0 C--N 1.305 -1.327 0 CA-C-O 121.534 0.683 . . . . 0.0 111.844 -176.909 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . 0.441 ' HD3' ' HB3' ' A' ' 48' ' ' LEU . 62.3 mtm180 -93.63 170.91 9.23 Favored 'General case' 0 C--N 1.308 -1.216 0 N-CA-C 108.192 -1.04 . . . . 0.0 108.192 175.286 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 82.0 m-85 -77.34 3.89 12.05 Favored 'General case' 0 C--O 1.204 -1.314 0 N-CA-C 111.601 0.223 . . . . 0.0 111.601 178.293 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 31.4 t -62.74 -22.4 66.51 Favored 'General case' 0 CA--C 1.554 1.129 0 N-CA-C 113.418 0.895 . . . . 0.0 113.418 -176.43 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 79.6 mt -97.76 -8.85 27.68 Favored 'General case' 0 C--N 1.321 -0.671 0 C-N-CA 119.973 -0.691 . . . . 0.0 110.403 178.415 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 78.1 mt -96.35 -48.47 5.58 Favored 'General case' 0 C--N 1.307 -1.279 0 N-CA-C 107.174 -1.417 . . . . 0.0 107.174 -179.613 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 27.2 mm-40 -99.88 100.13 11.01 Favored 'General case' 0 N--CA 1.419 -2.019 0 N-CA-C 106.572 -1.64 . . . . 0.0 106.572 173.007 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 9.3 t-160 -66.58 119.86 12.44 Favored 'General case' 0 C--N 1.296 -1.737 0 CA-C-N 115.286 -0.87 . . . . 0.0 108.94 -175.172 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 49.2 t-80 -33.98 126.39 0.43 Allowed 'General case' 0 C--N 1.326 -0.425 0 C-N-CA 126.919 2.088 . . . . 0.0 113.719 -174.997 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 56.5 p-80 -52.82 117.41 2.92 Favored 'General case' 0 C--O 1.248 1.015 0 O-C-N 124.675 1.234 . . . . 0.0 110.757 179.602 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 45.4 m80 -73.89 122.65 22.86 Favored 'General case' 0 C--N 1.297 -1.677 0 CA-C-N 114.61 -1.177 . . . . 0.0 110.316 -176.597 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 80.0 t60 . . . . . 0 C--N 1.292 -1.916 0 N-CA-C 106.474 -1.676 . . . . 0.0 106.474 -178.735 . . . . . . . . 0 0 . 1 . 024 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.1 mmt . . . . . 0 CA--C 1.497 -1.084 0 N-CA-C 109.171 -0.677 . . . . 0.0 109.171 . . . . . . . . . 0 0 . 1 . 024 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 9.8 m120 -77.06 141.46 40.26 Favored 'General case' 0 C--N 1.311 -1.108 0 O-C-N 123.581 0.55 . . . . 0.0 109.835 176.856 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 30.7 m -65.01 -28.56 45.05 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.836 0 N-CA-C 112.812 0.671 . . . . 0.0 112.812 -176.118 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 14.3 t -66.19 -31.59 72.52 Favored 'General case' 0 CA--C 1.549 0.913 0 CA-C-O 121.164 0.507 . . . . 0.0 110.056 178.433 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 34.7 mmtp -78.43 -34.56 47.8 Favored 'General case' 0 CA--C 1.51 -0.565 0 CA-C-O 121.223 0.535 . . . . 0.0 109.79 179.973 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 31.9 tp -69.25 -39.94 78.15 Favored 'General case' 0 C--N 1.316 -0.864 0 N-CA-C 108.854 -0.795 . . . . 0.0 108.854 177.38 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 3.5 t-20 -66.02 -37.09 85.02 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.68 -0.691 . . . . 0.0 110.124 177.352 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 13.6 t70 -59.45 -39.89 85.07 Favored 'General case' 0 N--CA 1.474 0.755 0 CA-C-O 121.209 0.528 . . . . 0.0 109.744 175.948 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . 0.579 ' O ' ' HG2' ' A' ' 13' ' ' LYS . 81.3 mtp180 -64.32 -38.51 91.3 Favored 'General case' 0 C--O 1.215 -0.732 0 CA-C-N 115.582 -0.736 . . . . 0.0 110.551 176.966 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 77.5 mt -61.29 -45.18 99.12 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.643 0 CA-C-O 121.435 0.636 . . . . 0.0 109.378 176.081 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 35.9 tt0 -62.36 -39.1 92.05 Favored 'General case' 0 C--N 1.313 -1.015 0 CA-C-N 115.234 -0.894 . . . . 0.0 109.726 178.81 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -66.21 -26.75 67.53 Favored 'General case' 0 C--N 1.31 -1.148 0 CA-C-N 115.397 -0.82 . . . . 0.0 110.976 177.252 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.579 ' HG2' ' O ' ' A' ' 9' ' ' ARG . 74.4 mmtt -77.06 -33.86 57.13 Favored 'General case' 0 CA--C 1.504 -0.817 0 N-CA-C 108.901 -0.777 . . . . 0.0 108.901 178.207 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 72.0 mmtt -57.84 -53.77 54.41 Favored 'General case' 0 CA--C 1.513 -0.443 0 N-CA-C 108.377 -0.971 . . . . 0.0 108.377 176.303 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 32.0 mmmt -64.33 -35.56 81.25 Favored 'General case' 0 C--N 1.313 -1.02 0 CA-C-N 114.164 -1.38 . . . . 0.0 111.931 -176.884 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . 0.421 ' O ' ' HG ' ' A' ' 20' ' ' LEU . 4.1 tp10 -76.54 -47.38 22.86 Favored 'General case' 0 C--N 1.309 -1.168 0 CA-C-N 116.274 -0.421 . . . . 0.0 109.953 -176.734 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.481 ' O ' HG22 ' A' ' 21' ' ' VAL . 50.4 tp -62.51 -50.26 72.09 Favored 'General case' 0 N--CA 1.443 -0.788 0 CA-C-N 115.732 -0.667 . . . . 0.0 111.462 -176.844 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . 0.506 ' O ' ' HG3' ' A' ' 22' ' ' GLU . 74.2 mt -59.47 -42.96 89.5 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.187 0 O-C-N 123.3 0.375 . . . . 0.0 110.082 -178.798 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 77.3 t80 -57.92 -42.47 84.88 Favored 'General case' 0 C--O 1.246 0.871 0 C-N-CA 123.669 0.788 . . . . 0.0 110.482 179.526 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.421 ' HG ' ' O ' ' A' ' 16' ' ' GLU . 81.1 mt -74.42 -32.81 62.8 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.378 179.439 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.481 HG22 ' O ' ' A' ' 17' ' ' LEU . 92.7 t -66.28 -34.19 68.5 Favored 'Isoleucine or valine' 0 C--O 1.24 0.57 0 CA-C-O 121.005 0.431 . . . . 0.0 110.088 176.743 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . 0.506 ' HG3' ' O ' ' A' ' 18' ' ' ILE . 34.6 mt-10 -68.6 -48.0 65.27 Favored 'General case' 0 C--N 1.318 -0.776 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.846 177.323 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 67.6 mttm -82.19 -47.9 11.94 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 114.029 1.122 . . . . 0.0 114.029 -175.912 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 95.9 m-85 -100.18 -45.03 5.76 Favored 'General case' 0 C--N 1.304 -1.385 0 CA-C-O 121.109 0.48 . . . . 0.0 110.497 -176.456 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 100.68 155.42 27.36 Favored Glycine 0 C--N 1.298 -1.537 0 CA-C-N 115.386 -0.825 . . . . 0.0 111.565 -177.138 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 49.8 t80 -83.22 81.02 8.88 Favored 'General case' 0 C--N 1.308 -1.207 0 N-CA-C 108.693 -0.854 . . . . 0.0 108.693 -179.036 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 27.7 m -133.79 -60.55 0.82 Allowed 'General case' 0 C--N 1.303 -1.417 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.351 -179.197 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . 0.416 ' CD2' ' HB3' ' A' ' 30' ' ' LYS . 3.1 p-80 -74.23 154.7 38.89 Favored 'General case' 0 C--O 1.254 1.294 0 C-N-CA 120.594 -0.442 . . . . 0.0 111.514 179.648 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 72.3 m80 -62.18 -22.48 65.93 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 114.543 1.312 . . . . 0.0 114.543 -173.156 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.416 ' HB3' ' CD2' ' A' ' 28' ' ' HIS . 24.6 ttpp -61.1 -47.56 85.74 Favored 'General case' 0 C--N 1.323 -0.546 0 C-N-CA 120.592 -0.443 . . . . 0.0 111.133 175.17 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 58.9 t -67.4 -35.57 73.94 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.626 0 N-CA-C 109.025 -0.731 . . . . 0.0 109.025 179.101 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 57.9 mt -64.18 -37.12 79.07 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.039 0 CA-C-N 115.566 -0.743 . . . . 0.0 110.766 178.352 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 88.0 p -64.13 -36.03 82.69 Favored 'General case' 0 C--N 1.341 0.236 0 O-C-N 122.24 -0.288 . . . . 0.0 111.37 179.906 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 71.1 m-85 -63.76 -38.01 89.5 Favored 'General case' 0 CA--C 1.508 -0.654 0 C-N-CA 120.854 -0.338 . . . . 0.0 110.842 177.041 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 32.9 t -65.47 -40.69 93.46 Favored 'General case' 0 N--CA 1.44 -0.932 0 CA-C-N 116.124 -0.489 . . . . 0.0 109.834 179.032 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 45.4 mt-30 -69.81 -32.66 71.23 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.658 179.25 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 42.6 tt0 -72.26 -43.75 63.84 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.907 -0.588 . . . . 0.0 109.955 179.096 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.403 HD22 ' HB2' ' A' ' 13' ' ' LYS . 2.8 tm? -53.37 -51.6 61.96 Favored 'General case' 0 N--CA 1.473 0.718 0 C-N-CA 123.809 0.843 . . . . 0.0 108.739 175.199 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 17.7 t70 -60.09 -42.37 94.49 Favored 'General case' 0 C--N 1.311 -1.1 0 CA-C-N 114.259 -1.337 . . . . 0.0 111.686 179.265 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 32.8 ttt180 -72.15 -39.84 68.44 Favored 'General case' 0 C--N 1.314 -0.968 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.729 -175.902 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 10.8 mp -66.06 -32.85 74.55 Favored 'General case' 0 CA--C 1.515 -0.384 0 CA-C-O 120.771 0.319 . . . . 0.0 111.155 177.675 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 6.4 tt -67.18 -39.84 86.48 Favored 'General case' 0 C--N 1.319 -0.735 0 N-CA-C 108.25 -1.018 . . . . 0.0 108.25 176.845 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 18.9 m-80 -66.94 -23.43 65.96 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.658 -0.701 . . . . 0.0 112.55 177.808 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 87.7 mt -63.35 -39.05 93.47 Favored 'General case' 0 C--O 1.242 0.662 0 CA-C-O 120.562 0.22 . . . . 0.0 111.079 178.379 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 8.0 mp -68.98 -42.01 77.13 Favored 'General case' 0 CA--C 1.514 -0.42 0 N-CA-C 109.747 -0.464 . . . . 0.0 109.747 177.452 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 69.2 mt -59.16 -43.23 88.98 Favored 'Isoleucine or valine' 0 C--O 1.245 0.85 0 CA-C-N 115.595 -0.73 . . . . 0.0 109.621 178.668 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . 0.428 ' HG2' ' HD3' ' A' ' 51' ' ' LYS . 29.5 tt0 -61.77 -51.56 67.82 Favored 'General case' 0 N--CA 1.442 -0.841 0 CA-C-N 115.539 -0.755 . . . . 0.0 110.241 178.341 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 18.8 tp -61.13 -35.89 78.28 Favored 'General case' 0 C--O 1.24 0.567 0 N-CA-C 112.749 0.648 . . . . 0.0 112.749 -176.038 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 14.4 mmmm -72.46 -51.0 22.11 Favored 'General case' 0 C--N 1.315 -0.912 0 C-N-CA 120.671 -0.412 . . . . 0.0 111.06 178.573 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 12.2 m -70.28 -18.68 63.13 Favored 'General case' 0 CA--C 1.547 0.828 0 CA-C-N 115.984 -0.553 . . . . 0.0 111.55 -176.25 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . 0.429 ' C ' ' H ' ' A' ' 53' ' ' LYS . 5.7 tptm -56.78 -33.68 66.89 Favored 'General case' 0 C--N 1.341 0.222 0 C-N-CA 124.042 0.937 . . . . 0.0 109.866 -178.925 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . 0.484 ' C ' ' H ' ' A' ' 54' ' ' ARG . 61.7 pttt 53.53 -5.11 0.01 OUTLIER 'General case' 0 N--CA 1.504 2.263 0 C-N-CA 127.537 2.335 . . . . 0.0 116.609 176.754 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . 0.447 ' HB2' ' HZ3' ' A' ' 53' ' ' LYS . 0.0 OUTLIER -78.63 34.42 0.22 Allowed 'General case' 0 C--N 1.303 -1.414 0 C-N-CA 124.678 1.191 . . . . 0.0 109.739 177.438 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . 0.484 ' H ' ' C ' ' A' ' 52' ' ' LYS . 38.5 mtp85 -94.87 116.12 28.32 Favored 'General case' 0 N--CA 1.407 -2.589 0 N-CA-C 107.782 -1.192 . . . . 0.0 107.782 -176.929 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 3.0 p90 -57.33 -20.45 28.84 Favored 'General case' 0 C--O 1.215 -0.722 0 N-CA-C 112.385 0.513 . . . . 0.0 112.385 178.334 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 56' ' ' SER . . . . . 0.487 ' O ' ' HB3' ' A' ' 60' ' ' HIS . 4.8 p -70.42 -25.23 63.12 Favored 'General case' 0 N--CA 1.428 -1.554 0 C-N-CA 123.588 0.755 . . . . 0.0 111.048 176.408 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 93.2 mt -84.86 -36.13 21.77 Favored 'General case' 0 CA--C 1.511 -0.55 0 N-CA-C 108.468 -0.938 . . . . 0.0 108.468 175.888 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 68.6 mt -75.12 -48.53 23.27 Favored 'General case' 0 C--N 1.31 -1.116 0 CA-C-N 114.447 -1.251 . . . . 0.0 111.747 -174.46 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -137.86 78.65 1.7 Allowed 'General case' 0 N--CA 1.423 -1.814 0 CA-C-O 122.123 0.963 . . . . 0.0 112.918 -179.064 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 60' ' ' HIS . . . . . 0.487 ' HB3' ' O ' ' A' ' 56' ' ' SER . 19.8 p80 -104.34 10.18 35.56 Favored 'General case' 0 C--N 1.312 -1.034 0 N-CA-C 107.665 -1.235 . . . . 0.0 107.665 173.35 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 60.7 t-80 -78.17 131.16 37.08 Favored 'General case' 0 N--CA 1.427 -1.599 0 CA-C-N 113.367 -1.742 . . . . 0.0 109.112 -175.993 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 56.7 m80 -83.66 86.59 7.1 Favored 'General case' 0 C--N 1.303 -1.416 0 CA-C-O 121.791 0.805 . . . . 0.0 110.812 178.187 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 1.3 p-80 -106.71 135.6 47.96 Favored 'General case' 0 C--N 1.293 -1.884 0 CA-C-N 114.346 -1.297 . . . . 0.0 109.562 177.463 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 48.8 m-70 . . . . . 0 N--CA 1.418 -2.046 0 N-CA-C 109.055 -0.72 . . . . 0.0 109.055 -177.138 . . . . . . . . 0 0 . 1 . 025 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 65.2 mtt . . . . . 0 N--CA 1.471 0.59 0 CA-C-O 120.496 0.189 . . . . 0.0 111.218 . . . . . . . . . 0 0 . 1 . 025 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . 0.611 ' O ' ' HG2' ' A' ' 5' ' ' LYS . 14.6 m120 -136.66 117.86 14.5 Favored 'General case' 0 CA--C 1.513 -0.48 0 N-CA-C 108.515 -0.92 . . . . 0.0 108.515 -175.292 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 27.8 m -57.95 -24.1 22.65 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.14 0 N-CA-C 113.144 0.794 . . . . 0.0 113.144 -176.492 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 14.1 t -63.09 -31.0 72.04 Favored 'General case' 0 N--CA 1.44 -0.974 0 CA-C-N 116.693 -0.231 . . . . 0.0 111.251 -179.964 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . 0.611 ' HG2' ' O ' ' A' ' 2' ' ' ASN . 0.0 OUTLIER -70.46 -27.46 64.25 Favored 'General case' 0 C--N 1.348 0.517 0 CA-C-O 121.203 0.525 . . . . 0.0 109.845 -179.06 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.572 ' O ' ' HG2' ' A' ' 9' ' ' ARG . 47.9 tp -68.32 -46.35 70.49 Favored 'General case' 0 N--CA 1.437 -1.117 0 N-CA-C 109.346 -0.613 . . . . 0.0 109.346 178.443 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 52.0 t30 -67.59 -36.2 80.43 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-O 121.405 0.622 . . . . 0.0 109.475 178.482 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 9.5 t70 -55.3 -43.55 74.91 Favored 'General case' 0 C--O 1.244 0.786 0 CA-C-N 115.245 -0.889 . . . . 0.0 111.679 176.55 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . 0.572 ' HG2' ' O ' ' A' ' 6' ' ' LEU . 9.7 ptp180 -70.89 -29.47 65.56 Favored 'General case' 0 C--N 1.339 0.142 0 C-N-CA 120.237 -0.585 . . . . 0.0 110.059 -178.635 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.451 HG13 ' O ' ' A' ' 6' ' ' LEU . 71.5 mt -70.1 -46.73 71.59 Favored 'Isoleucine or valine' 0 CA--C 1.505 -0.769 0 N-CA-C 109.163 -0.68 . . . . 0.0 109.163 179.273 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 27.3 tt0 -59.81 -38.92 83.31 Favored 'General case' 0 C--O 1.245 0.821 0 CA-C-O 121.451 0.643 . . . . 0.0 110.279 -179.163 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -72.37 -33.65 67.38 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 115.426 -0.806 . . . . 0.0 111.043 178.863 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 47.8 tptt -76.88 -39.38 51.23 Favored 'General case' 0 C--N 1.31 -1.136 0 C-N-CA 120.562 -0.455 . . . . 0.0 110.163 -177.788 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.414 ' O ' HG13 ' A' ' 18' ' ' ILE . 18.1 ptmt -69.94 -32.03 70.09 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-N 116.409 -0.36 . . . . 0.0 111.747 -179.838 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 22.7 ptmt -70.78 -33.59 70.91 Favored 'General case' 0 N--CA 1.454 -0.255 0 C-N-CA 119.537 -0.865 . . . . 0.0 110.604 176.343 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 39.4 tt0 -65.64 -41.0 93.1 Favored 'General case' 0 C--O 1.239 0.519 0 CA-C-N 115.809 -0.632 . . . . 0.0 109.447 176.557 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.452 ' O ' HG21 ' A' ' 21' ' ' VAL . 61.5 tp -59.93 -52.36 65.74 Favored 'General case' 0 C--O 1.211 -0.93 0 CA-C-N 115.586 -0.734 . . . . 0.0 110.455 178.24 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . 0.414 HG13 ' O ' ' A' ' 14' ' ' LYS . 91.2 mt -54.85 -43.79 69.33 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.968 0 C-N-CA 123.141 0.576 . . . . 0.0 110.883 -179.259 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 80.9 t80 -56.93 -49.0 76.97 Favored 'General case' 0 C--O 1.251 1.155 0 C-N-CA 124.05 0.94 . . . . 0.0 110.111 177.933 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 92.6 mt -72.86 -30.96 64.39 Favored 'General case' 0 C--N 1.314 -0.973 0 CA-C-N 115.352 -0.84 . . . . 0.0 111.372 -178.893 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.452 HG21 ' O ' ' A' ' 17' ' ' LEU . 52.4 t -59.09 -43.71 89.85 Favored 'Isoleucine or valine' 0 C--O 1.242 0.687 0 C-N-CA 122.754 0.421 . . . . 0.0 110.719 175.686 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 38.9 mt-10 -62.88 -42.63 99.84 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.441 -0.345 . . . . 0.0 110.548 179.27 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 66.2 mttm -82.73 -47.77 11.6 Favored 'General case' 0 C--N 1.316 -0.859 0 N-CA-C 114.193 1.183 . . . . 0.0 114.193 -175.382 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 99.1 m-85 -99.48 -26.47 14.1 Favored 'General case' 0 C--N 1.313 -0.983 0 N-CA-C 114.249 1.203 . . . . 0.0 114.249 -171.177 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . 0.428 ' O ' ' HA ' ' A' ' 21' ' ' VAL . . . 140.4 171.93 12.66 Favored Glycine 0 N--CA 1.434 -1.451 0 C-N-CA 119.041 -1.552 . . . . 0.0 112.849 178.119 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 79.5 m-85 -86.58 -23.46 25.77 Favored 'General case' 0 C--N 1.306 -1.317 0 CA-C-O 121.186 0.517 . . . . 0.0 109.91 -177.643 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 5.9 t -150.43 103.44 3.14 Favored 'General case' 0 N--CA 1.411 -2.406 0 CA-C-O 122.333 1.064 . . . . 0.0 108.601 179.921 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 83.8 t60 -148.05 158.5 44.1 Favored 'General case' 0 C--N 1.289 -2.065 0 N-CA-C 106.704 -1.591 . . . . 0.0 106.704 -179.026 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 98.1 m-70 -48.21 -50.21 30.11 Favored 'General case' 0 N--CA 1.49 1.571 0 C-N-CA 123.688 0.795 . . . . 0.0 112.187 -177.09 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 48.5 mmtm -57.68 -55.52 33.77 Favored 'General case' 0 N--CA 1.466 0.37 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.101 177.772 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 96.5 t -54.97 -47.77 76.17 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.65 0 CA-C-N 114.777 -1.101 . . . . 0.0 111.535 -176.923 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 81.0 mt -61.8 -41.58 91.19 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 C-N-CA 122.314 0.246 . . . . 0.0 110.74 -179.64 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 45.0 m -61.72 -37.59 84.77 Favored 'General case' 0 CA--C 1.551 0.995 0 CA-C-O 121.199 0.523 . . . . 0.0 111.236 -179.716 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 45.3 m-85 -76.91 -31.88 57.02 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.891 0.377 . . . . 0.0 110.621 178.348 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 43.3 m -67.92 -42.26 81.35 Favored 'General case' 0 C--N 1.318 -0.785 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.512 179.766 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 13.5 mm-40 -66.78 -28.65 68.56 Favored 'General case' 0 C--O 1.239 0.532 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.465 178.954 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . 0.554 ' O ' ' HG ' ' A' ' 41' ' ' LEU . 7.4 tp10 -67.45 -43.89 80.0 Favored 'General case' 0 N--CA 1.433 -1.312 0 N-CA-C 108.329 -0.989 . . . . 0.0 108.329 177.028 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 63.7 mt -62.64 -41.83 99.26 Favored 'General case' 0 CA--C 1.495 -1.136 0 CA-C-N 115.966 -0.561 . . . . 0.0 111.591 177.531 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 17.2 t70 -57.82 -43.16 85.55 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-O 121.503 0.668 . . . . 0.0 109.363 178.108 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . 0.413 ' HD3' ' OE2' ' A' ' 37' ' ' GLU . 42.8 ttt180 -65.9 -47.01 76.23 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 114.531 -1.213 . . . . 0.0 110.831 178.391 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.554 ' HG ' ' O ' ' A' ' 37' ' ' GLU . 80.5 mt -66.7 -41.03 88.66 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 120.774 0.321 . . . . 0.0 110.857 -179.013 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 49.4 tp -60.46 -34.28 73.79 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 121.286 0.565 . . . . 0.0 109.93 175.167 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 8.8 t-20 -68.5 -27.59 66.26 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-N 115.652 -0.703 . . . . 0.0 109.933 -178.702 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 84.4 mt -67.55 -31.55 71.71 Favored 'General case' 0 C--N 1.315 -0.92 0 CA-C-N 115.786 -0.643 . . . . 0.0 109.737 177.329 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 87.1 mt -71.8 -32.65 67.83 Favored 'General case' 0 C--O 1.237 0.396 0 N-CA-C 109.047 -0.723 . . . . 0.0 109.047 174.359 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 75.4 mt -67.36 -26.21 35.42 Favored 'Isoleucine or valine' 0 C--O 1.243 0.748 0 CA-C-N 115.65 -0.705 . . . . 0.0 109.734 176.897 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 7.5 tp10 -63.56 -42.04 98.37 Favored 'General case' 0 C--N 1.316 -0.869 0 N-CA-C 108.765 -0.828 . . . . 0.0 108.765 175.632 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -64.39 -36.95 85.81 Favored 'General case' 0 N--CA 1.47 0.539 0 CA-C-O 120.955 0.407 . . . . 0.0 110.211 175.633 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 65.7 mttm -63.09 -34.41 77.54 Favored 'General case' 0 N--CA 1.468 0.45 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.399 176.204 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 56.8 m -73.11 -41.77 63.64 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.315 178.947 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 97.1 mttt -64.14 -31.6 72.86 Favored 'General case' 0 C--O 1.221 -0.412 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.149 178.192 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . 0.509 ' HB2' ' HG ' ' A' ' 57' ' ' LEU . 62.8 pttt 52.21 16.9 0.63 Allowed 'General case' 0 N--CA 1.495 1.822 0 C-N-CA 126.678 1.991 . . . . 0.0 114.213 172.809 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 12.4 ptmm? -92.84 -4.87 52.19 Favored 'General case' 0 C--N 1.293 -1.869 0 N-CA-C 112.606 0.595 . . . . 0.0 112.606 -175.497 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 48.4 mtm180 -77.12 160.72 28.8 Favored 'General case' 0 C--N 1.318 -0.794 0 C-N-CA 119.949 -0.7 . . . . 0.0 109.257 178.458 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 35.4 m-85 -64.12 -7.79 10.05 Favored 'General case' 0 N--CA 1.473 0.699 0 N-CA-C 113.748 1.018 . . . . 0.0 113.748 -173.309 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 15.4 m -69.01 -19.82 64.13 Favored 'General case' 0 C--N 1.308 -1.207 0 CA-C-O 120.853 0.359 . . . . 0.0 111.107 177.86 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.509 ' HG ' ' HB2' ' A' ' 52' ' ' LYS . 3.8 mm? -92.4 8.79 36.99 Favored 'General case' 0 C--N 1.319 -0.73 0 N-CA-C 112.896 0.702 . . . . 0.0 112.896 -177.494 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 95.7 mt -67.99 -25.53 65.47 Favored 'General case' 0 CA--C 1.514 -0.434 0 N-CA-C 107.623 -1.251 . . . . 0.0 107.623 171.93 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 -116.45 104.24 11.25 Favored 'General case' 0 N--CA 1.41 -2.43 0 CA-C-N 113.774 -1.557 . . . . 0.0 107.479 173.691 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 69.7 m-70 -73.53 168.38 19.4 Favored 'General case' 0 C--N 1.3 -1.566 0 CA-C-N 115.355 -0.838 . . . . 0.0 111.892 -174.376 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 90.0 m-70 -77.11 168.87 19.35 Favored 'General case' 0 C--N 1.301 -1.527 0 CA-C-N 115.595 -0.729 . . . . 0.0 109.156 178.248 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 29.7 t-80 -71.7 -28.02 63.42 Favored 'General case' 0 C--N 1.317 -0.838 0 N-CA-C 108.552 -0.907 . . . . 0.0 108.552 179.984 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 42.5 m80 -79.9 80.99 6.24 Favored 'General case' 0 C--O 1.248 1.006 0 N-CA-C 109.047 -0.723 . . . . 0.0 109.047 173.058 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 58.2 t-80 . . . . . 0 C--N 1.303 -1.442 0 N-CA-C 108.005 -1.109 . . . . 0.0 108.005 -179.024 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 35.0 m . . . . . 0 CA--C 1.537 0.455 0 N-CA-C 114.177 1.177 . . . . 0.0 114.177 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 2.6 t -77.66 -27.2 50.88 Favored 'General case' 0 C--O 1.235 0.325 0 C-N-CA 118.502 -1.279 . . . . 0.0 109.301 -178.114 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 5' ' ' LYS . . . . . 0.538 ' O ' ' HD3' ' A' ' 9' ' ' ARG . 35.8 mmtp -69.38 -41.12 76.94 Favored 'General case' 0 N--CA 1.452 -0.354 0 N-CA-C 108.454 -0.943 . . . . 0.0 108.454 174.074 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.542 ' O ' HG13 ' A' ' 10' ' ' ILE . 46.9 tp -59.17 -50.48 73.89 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.503 -0.772 . . . . 0.0 109.14 177.227 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 26.6 t-20 -54.98 -39.94 69.52 Favored 'General case' 0 N--CA 1.474 0.751 0 CA-C-N 115.584 -0.734 . . . . 0.0 110.909 178.174 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 19.2 t70 -65.39 -47.23 77.05 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.324 -0.853 . . . . 0.0 111.545 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 9' ' ' ARG . . . . . 0.538 ' HD3' ' O ' ' A' ' 5' ' ' LYS . 7.6 mpt_? -63.5 -28.28 69.84 Favored 'General case' 0 C--N 1.316 -0.867 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.635 178.199 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.542 HG13 ' O ' ' A' ' 6' ' ' LEU . 74.3 mt -71.1 -45.73 70.42 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.746 0 N-CA-C 108.524 -0.917 . . . . 0.0 108.524 174.406 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 11' ' ' GLU . . . . . 0.423 ' HA ' ' HD2' ' A' ' 14' ' ' LYS . 41.7 tt0 -57.99 -47.06 84.11 Favored 'General case' 0 C--N 1.322 -0.63 0 C-N-CA 124.207 1.003 . . . . 0.0 110.657 -178.913 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -65.4 -33.46 76.01 Favored 'General case' 0 C--N 1.313 -0.987 0 CA-C-N 115.442 -0.799 . . . . 0.0 111.245 178.752 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 3.5 tppp? -76.13 -37.01 58.55 Favored 'General case' 0 N--CA 1.446 -0.649 0 N-CA-C 109.285 -0.635 . . . . 0.0 109.285 -176.814 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.574 ' O ' HG13 ' A' ' 18' ' ' ILE . 94.3 mttt -53.08 -52.75 57.59 Favored 'General case' 0 N--CA 1.464 0.274 0 O-C-N 123.366 0.416 . . . . 0.0 110.108 171.006 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 32.1 mmmt -62.27 -40.59 96.73 Favored 'General case' 0 C--O 1.245 0.841 0 CA-C-N 115.893 -0.594 . . . . 0.0 111.917 -178.775 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' GLU . . . . . 0.449 ' O ' ' HG ' ' A' ' 20' ' ' LEU . 39.6 tt0 -63.7 -43.87 95.34 Favored 'General case' 0 C--N 1.316 -0.876 0 CA-C-N 115.92 -0.582 . . . . 0.0 109.688 178.083 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.516 ' O ' HG23 ' A' ' 21' ' ' VAL . 2.0 tm? -60.48 -46.03 91.6 Favored 'General case' 0 CA--C 1.538 0.502 0 CA-C-N 115.447 -0.797 . . . . 0.0 109.303 179.922 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.574 HG13 ' O ' ' A' ' 14' ' ' LYS . 71.3 mt -56.32 -44.37 79.58 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.164 0 CA-C-O 121.274 0.559 . . . . 0.0 110.444 179.122 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 84.6 t80 -61.82 -39.78 92.98 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-N 115.473 -0.785 . . . . 0.0 110.41 -179.911 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.449 ' HG ' ' O ' ' A' ' 16' ' ' GLU . 88.3 mt -71.94 -31.33 66.22 Favored 'General case' 0 C--N 1.31 -1.122 0 CA-C-N 115.651 -0.704 . . . . 0.0 111.567 -179.154 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.516 HG23 ' O ' ' A' ' 17' ' ' LEU . 73.6 t -63.36 -36.04 74.61 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.56 0 N-CA-C 109.428 -0.582 . . . . 0.0 109.428 176.47 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 22' ' ' GLU . . . . . 0.409 ' HG2' ' O ' ' A' ' 18' ' ' ILE . 15.3 mm-40 -68.09 -43.63 78.07 Favored 'General case' 0 C--N 1.309 -1.185 0 CA-C-N 115.696 -0.684 . . . . 0.0 111.246 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 54.0 mttp -82.9 -38.58 22.68 Favored 'General case' 0 C--N 1.32 -0.706 0 N-CA-C 115.255 1.576 . . . . 0.0 115.255 -179.583 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 97.4 m-85 -107.26 -38.52 5.95 Favored 'General case' 0 C--N 1.309 -1.176 0 N-CA-C 112.972 0.73 . . . . 0.0 112.972 -174.107 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 106.59 154.39 20.36 Favored Glycine 0 C--N 1.299 -1.475 0 N-CA-C 109.714 -1.354 . . . . 0.0 109.714 -175.808 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 52.9 t80 -75.96 -16.57 59.98 Favored 'General case' 0 C--N 1.308 -1.238 0 CA-C-O 121.317 0.579 . . . . 0.0 111.338 -175.472 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 4.2 m -86.37 -1.67 57.74 Favored 'General case' 0 CA--C 1.553 1.084 0 CA-C-O 121.749 0.785 . . . . 0.0 110.067 -179.721 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 86.7 t60 -78.56 136.35 37.52 Favored 'General case' 0 N--CA 1.439 -0.992 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.353 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 28.7 m80 -49.2 -46.54 45.84 Favored 'General case' 0 N--CA 1.482 1.152 0 C-N-CA 124.898 1.279 . . . . 0.0 112.979 -175.178 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 68.2 mttm -65.29 -40.31 93.68 Favored 'General case' 0 C--O 1.215 -0.748 0 C-N-CA 121.066 -0.253 . . . . 0.0 111.023 -179.05 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 58.5 t -67.08 -38.52 81.39 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.021 0 N-CA-C 109.737 -0.468 . . . . 0.0 109.737 -179.337 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 74.7 mt -62.86 -49.69 82.66 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.646 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.011 176.035 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 10.3 p -64.84 -36.66 85.05 Favored 'General case' 0 CA--C 1.544 0.741 0 N-CA-C 112.611 0.597 . . . . 0.0 112.611 -179.409 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 25.2 m-85 -69.38 -32.62 71.77 Favored 'General case' 0 C--O 1.219 -0.539 0 C-N-CA 120.224 -0.59 . . . . 0.0 110.418 175.663 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 69.9 m -64.81 -36.96 86.01 Favored 'General case' 0 N--CA 1.45 -0.45 0 N-CA-C 110.338 -0.245 . . . . 0.0 110.338 176.219 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 92.4 mt-30 -66.74 -37.31 84.41 Favored 'General case' 0 N--CA 1.466 0.366 0 CA-C-O 121.571 0.701 . . . . 0.0 109.511 176.985 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 37.9 tt0 -68.76 -42.01 78.06 Favored 'General case' 0 C--N 1.317 -0.825 0 CA-C-N 115.239 -0.892 . . . . 0.0 110.092 179.242 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.447 HD11 ' HG3' ' A' ' 14' ' ' LYS . 32.3 tp -63.17 -41.52 99.25 Favored 'General case' 0 C--N 1.318 -0.802 0 N-CA-C 109.042 -0.725 . . . . 0.0 109.042 177.793 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 12.0 t70 -60.81 -40.25 91.98 Favored 'General case' 0 C--O 1.215 -0.752 0 CA-C-N 114.86 -1.063 . . . . 0.0 110.603 175.808 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 42.8 ttm180 -59.28 -46.55 88.24 Favored 'General case' 0 CA--C 1.537 0.448 0 C-N-CA 123.197 0.599 . . . . 0.0 111.35 179.174 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.488 ' HB3' HG12 ' A' ' 10' ' ' ILE . 9.5 mp -71.99 -34.03 68.59 Favored 'General case' 0 C--N 1.323 -0.585 0 C-N-CA 120.124 -0.63 . . . . 0.0 111.643 179.008 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 6.4 tt -64.76 -40.1 94.72 Favored 'General case' 0 C--N 1.32 -0.705 0 N-CA-C 108.096 -1.076 . . . . 0.0 108.096 177.149 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 27.4 t-20 -60.6 -38.8 85.84 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 114.883 -1.053 . . . . 0.0 110.754 176.61 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 76.1 mt -55.99 -40.74 73.79 Favored 'General case' 0 CA--C 1.513 -0.469 0 O-C-N 123.746 0.653 . . . . 0.0 111.572 178.463 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 90.5 mt -57.22 -48.54 78.56 Favored 'General case' 0 C--O 1.222 -0.364 0 N-CA-C 109.702 -0.481 . . . . 0.0 109.702 177.981 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 63.1 mt -69.44 -43.45 80.81 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.9 0 CA-C-N 115.481 -0.781 . . . . 0.0 110.576 -178.567 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 39.5 tt0 . . . . . 0 C--N 1.316 -0.852 0 CA-C-N 116.057 -0.519 . . . . 0.0 112.145 -176.829 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 34.4 m . . . . . 0 C--O 1.215 -0.713 0 N-CA-C 110.083 -0.339 . . . . 0.0 110.083 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 74.8 m -58.56 -54.73 43.8 Favored 'General case' 0 N--CA 1.431 -1.377 0 C-N-CA 123.926 0.89 . . . . 0.0 112.61 -175.628 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 92.1 mttt -70.39 -28.15 64.85 Favored 'General case' 0 C--N 1.302 -1.468 0 CA-C-N 115.976 -0.556 . . . . 0.0 111.408 -178.385 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 44.9 tp -69.52 -46.66 66.0 Favored 'General case' 0 C--N 1.318 -0.801 0 N-CA-C 108.711 -0.848 . . . . 0.0 108.711 176.123 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 7' ' ' ASN . . . . . 0.425 ' O ' ' HB ' ' A' ' 10' ' ' ILE . 7.8 t30 -60.3 -34.71 74.16 Favored 'General case' 0 N--CA 1.466 0.363 0 CA-C-N 115.448 -0.797 . . . . 0.0 109.747 178.151 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 27.3 t70 -60.24 -32.35 71.06 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 115.409 -0.814 . . . . 0.0 111.35 176.594 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 64.0 mtp180 -65.52 -42.23 92.23 Favored 'General case' 0 N--CA 1.471 0.625 0 N-CA-C 109.021 -0.733 . . . . 0.0 109.021 174.401 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.584 ' O ' ' HG2' ' A' ' 14' ' ' LYS . 1.7 mp -57.85 -49.34 81.36 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.209 0 CA-C-N 115.237 -0.892 . . . . 0.0 109.848 177.555 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 11' ' ' GLU . . . . . 0.591 ' O ' ' HG2' ' A' ' 15' ' ' LYS . 47.0 mt-10 -64.7 -29.52 70.52 Favored 'General case' 0 C--N 1.319 -0.752 0 N-CA-C 113.116 0.784 . . . . 0.0 113.116 -176.941 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -66.7 -34.41 77.79 Favored 'General case' 0 C--O 1.242 0.71 0 CA-C-O 121.677 0.751 . . . . 0.0 109.713 176.198 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.526 ' HB2' HD11 ' A' ' 38' ' ' LEU . 28.6 mtpp -76.95 -31.05 56.32 Favored 'General case' 0 N--CA 1.442 -0.863 0 N-CA-C 108.567 -0.901 . . . . 0.0 108.567 179.66 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.584 ' HG2' ' O ' ' A' ' 10' ' ' ILE . 31.6 mmmt -63.06 -38.75 92.43 Favored 'General case' 0 C--O 1.216 -0.709 0 CA-C-N 115.412 -0.813 . . . . 0.0 109.839 176.093 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 15' ' ' LYS . . . . . 0.591 ' HG2' ' O ' ' A' ' 11' ' ' GLU . 33.7 mmtp -65.24 -32.52 74.24 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 109.71 -0.478 . . . . 0.0 109.71 178.97 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 16' ' ' GLU . . . . . 0.495 ' O ' ' HG ' ' A' ' 20' ' ' LEU . 9.2 tp10 -74.06 -42.6 59.96 Favored 'General case' 0 N--CA 1.444 -0.731 0 N-CA-C 107.511 -1.292 . . . . 0.0 107.511 -179.02 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.417 ' O ' HG23 ' A' ' 21' ' ' VAL . 13.3 mt -56.49 -43.71 79.96 Favored 'General case' 0 C--O 1.212 -0.893 0 CA-C-N 114.771 -1.104 . . . . 0.0 112.224 175.872 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.488 HG13 ' O ' ' A' ' 14' ' ' LYS . 83.9 mt -56.09 -45.75 80.69 Favored 'Isoleucine or valine' 0 C--O 1.242 0.698 0 O-C-N 123.367 0.417 . . . . 0.0 110.075 177.244 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 76.0 t80 -61.86 -44.79 96.1 Favored 'General case' 0 CA--C 1.533 0.314 0 CA-C-N 115.831 -0.622 . . . . 0.0 109.993 176.652 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.495 ' HG ' ' O ' ' A' ' 16' ' ' GLU . 84.4 mt -62.95 -43.68 98.13 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.546 -179.407 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.417 HG23 ' O ' ' A' ' 17' ' ' LEU . 96.8 t -60.27 -41.46 87.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 CA-C-O 120.78 0.324 . . . . 0.0 110.363 176.556 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 49.0 mt-10 -68.65 -43.18 76.78 Favored 'General case' 0 C--N 1.309 -1.167 0 N-CA-C 112.485 0.55 . . . . 0.0 112.485 177.282 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 20.9 tptm -80.39 -45.76 17.16 Favored 'General case' 0 N--CA 1.42 -1.954 0 N-CA-C 113.303 0.853 . . . . 0.0 113.303 -172.949 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 87.5 m-85 -106.49 -34.86 7.26 Favored 'General case' 0 C--N 1.313 -1.0 0 CA-C-O 120.985 0.421 . . . . 0.0 111.034 -175.852 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 118.05 161.49 11.97 Favored Glycine 0 C--N 1.299 -1.479 0 N-CA-C 111.326 -0.71 . . . . 0.0 111.326 -179.259 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 52.8 p90 -74.71 -36.81 62.7 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 117.525 0.663 . . . . 0.0 110.249 179.187 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 8.4 t -94.07 71.66 3.98 Favored 'General case' 0 N--CA 1.424 -1.76 0 CA-C-O 123.329 1.538 . . . . 0.0 108.96 178.584 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' HIS . . . . . 0.415 ' O ' HG13 ' A' ' 32' ' ' ILE . 36.7 t60 -137.96 130.74 29.78 Favored 'General case' 0 C--N 1.294 -1.841 0 N-CA-C 105.862 -1.903 . . . . 0.0 105.862 178.738 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 12.5 t-80 -53.03 -45.35 67.97 Favored 'General case' 0 C--N 1.318 -0.796 0 N-CA-C 113.47 0.915 . . . . 0.0 113.47 -171.334 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 33.5 mmtp -66.05 -34.96 79.26 Favored 'General case' 0 C--N 1.32 -0.695 0 C-N-CA 120.333 -0.547 . . . . 0.0 112.203 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 63.6 t -67.34 -39.66 83.22 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.917 0 N-CA-C 108.794 -0.817 . . . . 0.0 108.794 178.153 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.415 HG13 ' O ' ' A' ' 28' ' ' HIS . 70.6 mt -62.58 -42.4 95.78 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.684 0 CA-C-N 115.527 -0.76 . . . . 0.0 109.902 176.737 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 65.8 p -65.81 -33.22 75.34 Favored 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 120.511 -0.476 . . . . 0.0 111.56 178.315 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 44.4 m-85 -70.05 -33.64 72.21 Favored 'General case' 0 C--O 1.213 -0.832 0 C-N-CA 120.69 -0.404 . . . . 0.0 110.556 175.894 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 22.9 t -60.91 -41.07 95.41 Favored 'General case' 0 C--N 1.322 -0.614 0 N-CA-C 109.093 -0.706 . . . . 0.0 109.093 177.618 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 36' ' ' GLN . . . . . 0.484 ' O ' ' HB3' ' A' ' 39' ' ' ASP . 73.4 mt-30 -67.62 -32.67 73.54 Favored 'General case' 0 N--CA 1.462 0.173 0 CA-C-O 121.309 0.576 . . . . 0.0 110.13 178.537 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 33.8 tt0 -71.32 -45.22 63.53 Favored 'General case' 0 C--N 1.314 -0.947 0 CA-C-N 115.909 -0.587 . . . . 0.0 109.739 178.041 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.526 HD11 ' HB2' ' A' ' 13' ' ' LYS . 4.2 mm? -59.74 -32.62 70.73 Favored 'General case' 0 CA--C 1.508 -0.64 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.98 176.453 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 39' ' ' ASP . . . . . 0.484 ' HB3' ' O ' ' A' ' 36' ' ' GLN . 8.3 t70 -57.81 -48.13 80.63 Favored 'General case' 0 C--N 1.317 -0.826 0 O-C-N 123.901 0.751 . . . . 0.0 109.561 175.647 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 18.2 mmt180 -70.39 -41.12 73.43 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.489 -0.778 . . . . 0.0 111.431 -177.97 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -61.68 -44.45 96.92 Favored 'General case' 0 N--CA 1.467 0.41 0 O-C-N 123.41 0.444 . . . . 0.0 110.775 176.16 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 60.0 tp -65.14 -32.36 74.01 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.338 0.589 . . . . 0.0 110.191 179.026 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 65.0 t30 -70.57 -23.22 62.55 Favored 'General case' 0 N--CA 1.432 -1.359 0 CA-C-N 115.965 -0.561 . . . . 0.0 111.109 -178.132 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 96.1 mt -56.2 -47.21 78.81 Favored 'General case' 0 N--CA 1.471 0.623 0 O-C-N 123.082 0.239 . . . . 0.0 111.371 179.746 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.535 HD23 ' H ' ' A' ' 45' ' ' LEU . 0.7 OUTLIER -71.71 -33.98 69.21 Favored 'General case' 0 C--O 1.211 -0.922 0 C-N-CA 120.09 -0.644 . . . . 0.0 111.707 179.741 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 72.3 mt -65.69 -49.1 79.75 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.607 0 CA-C-O 121.33 0.586 . . . . 0.0 109.584 178.098 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 9.1 tp10 . . . . . 0 C--N 1.318 -0.793 0 C-N-CA 124.464 1.106 . . . . 0.0 110.354 -179.457 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 28.0 m . . . . . 0 C--O 1.235 0.304 0 CA-C-O 120.567 0.223 . . . . 0.0 110.793 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 11.1 t -64.19 -35.95 82.46 Favored 'General case' 0 N--CA 1.445 -0.715 0 N-CA-C 109.303 -0.628 . . . . 0.0 109.303 176.765 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 5' ' ' LYS . . . . . 0.433 ' O ' ' HG3' ' A' ' 9' ' ' ARG . 55.2 mttm -78.32 -27.33 47.14 Favored 'General case' 0 N--CA 1.437 -1.124 0 N-CA-C 112.933 0.716 . . . . 0.0 112.933 178.759 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 43.0 tp -66.48 -45.78 78.51 Favored 'General case' 0 C--N 1.313 -0.979 0 N-CA-C 108.331 -0.988 . . . . 0.0 108.331 175.033 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 7' ' ' ASN . . . . . 0.483 ' O ' ' HB ' ' A' ' 10' ' ' ILE . 0.2 OUTLIER -67.21 -31.93 72.65 Favored 'General case' 0 CA--C 1.539 0.538 0 N-CA-C 108.93 -0.767 . . . . 0.0 108.93 177.62 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 17.1 t70 -58.66 -37.96 77.12 Favored 'General case' 0 N--CA 1.479 1.016 0 C-N-CA 123.568 0.747 . . . . 0.0 110.558 176.037 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 9' ' ' ARG . . . . . 0.433 ' HG3' ' O ' ' A' ' 5' ' ' LYS . 97.2 mtt180 -65.79 -37.5 86.47 Favored 'General case' 0 CA--C 1.507 -0.684 0 CA-C-N 116.062 -0.517 . . . . 0.0 109.687 177.605 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.519 HG12 ' HB3' ' A' ' 41' ' ' LEU . 68.4 mt -60.26 -47.11 93.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 N-CA-C 108.756 -0.831 . . . . 0.0 108.756 176.292 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 11' ' ' GLU . . . . . 0.445 ' HG2' ' O ' ' A' ' 7' ' ' ASN . 38.5 mm-40 -58.48 -45.81 87.91 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.44 -0.8 . . . . 0.0 111.13 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -67.51 -30.53 70.23 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.983 179.004 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 18.6 tptm -76.6 -34.32 58.39 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 109.622 -0.51 . . . . 0.0 109.622 -178.702 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.547 ' O ' HG13 ' A' ' 18' ' ' ILE . 91.9 mttt -59.66 -49.21 78.63 Favored 'General case' 0 C--O 1.217 -0.656 0 CA-C-N 115.973 -0.558 . . . . 0.0 109.622 173.85 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 15' ' ' LYS . . . . . 0.453 ' HD3' HD12 ' A' ' 18' ' ' ILE . 75.0 mmtt -65.2 -32.49 74.2 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.356 -179.52 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 16' ' ' GLU . . . . . 0.558 ' O ' ' HG ' ' A' ' 20' ' ' LEU . 34.7 tt0 -69.89 -43.66 71.32 Favored 'General case' 0 C--N 1.32 -0.709 0 N-CA-C 107.36 -1.348 . . . . 0.0 107.36 -179.671 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.447 ' O ' HG23 ' A' ' 21' ' ' VAL . 11.5 mt -61.66 -41.28 97.32 Favored 'General case' 0 N--CA 1.439 -1.002 0 CA-C-N 114.566 -1.197 . . . . 0.0 112.487 176.37 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.547 HG13 ' O ' ' A' ' 14' ' ' LYS . 79.2 mt -56.95 -43.35 80.51 Favored 'Isoleucine or valine' 0 C--O 1.239 0.551 0 N-CA-C 109.995 -0.372 . . . . 0.0 109.995 177.171 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 79.7 t80 -64.98 -39.77 93.98 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.705 177.26 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.558 ' HG ' ' O ' ' A' ' 16' ' ' GLU . 84.9 mt -66.02 -38.71 89.14 Favored 'General case' 0 C--N 1.31 -1.12 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.827 178.766 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.447 HG23 ' O ' ' A' ' 17' ' ' LEU . 64.0 t -63.33 -32.39 56.31 Favored 'Isoleucine or valine' 0 CA--C 1.554 1.116 0 CA-C-O 121.302 0.573 . . . . 0.0 110.12 173.795 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 18.5 mm-40 -68.08 -52.46 34.85 Favored 'General case' 0 C--N 1.317 -0.809 0 O-C-N 121.864 -0.522 . . . . 0.0 110.972 175.338 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 34.7 mmtp -77.78 -47.55 18.71 Favored 'General case' 0 C--N 1.32 -0.717 0 N-CA-C 114.141 1.163 . . . . 0.0 114.141 -176.264 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 69.2 m-85 -100.79 -40.86 7.11 Favored 'General case' 0 C--N 1.301 -1.513 0 CA-C-O 120.982 0.42 . . . . 0.0 110.596 -175.982 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' GLY . . . . . 0.405 ' HA2' ' O ' ' A' ' 21' ' ' VAL . . . 106.86 -147.68 16.26 Favored Glycine 0 C--N 1.301 -1.38 0 N-CA-C 111.171 -0.772 . . . . 0.0 111.171 -179.371 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 38.1 p90 -124.58 177.4 5.96 Favored 'General case' 0 C--N 1.304 -1.376 0 N-CA-C 108.751 -0.833 . . . . 0.0 108.751 177.537 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 41.1 p 56.99 20.58 5.5 Favored 'General case' 0 N--CA 1.484 1.254 0 C-N-CA 124.904 1.281 . . . . 0.0 111.6 -173.699 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 39.4 t60 -104.84 132.56 50.93 Favored 'General case' 0 N--CA 1.429 -1.517 0 N-CA-C 107.465 -1.309 . . . . 0.0 107.465 -177.966 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 11.6 m170 -50.12 -45.48 52.91 Favored 'General case' 0 N--CA 1.488 1.453 0 N-CA-C 114.078 1.14 . . . . 0.0 114.078 -173.858 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 55.9 mttm -62.74 -49.46 74.94 Favored 'General case' 0 C--N 1.322 -0.619 0 N-CA-C 109.268 -0.641 . . . . 0.0 109.268 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 58.8 t -60.85 -44.55 97.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 115.348 -0.842 . . . . 0.0 110.817 -178.776 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 87.7 mt -57.76 -44.6 86.23 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.521 0 CA-C-O 121.107 0.48 . . . . 0.0 110.194 177.641 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 33' ' ' SER . . . . . 0.456 ' O ' ' HG3' ' A' ' 37' ' ' GLU . 41.3 m -64.42 -39.17 93.32 Favored 'General case' 0 C--N 1.316 -0.848 0 CA-C-N 115.83 -0.623 . . . . 0.0 111.517 -179.799 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 42.2 m-85 -70.97 -36.05 72.39 Favored 'General case' 0 C--O 1.238 0.464 0 CA-C-O 120.948 0.404 . . . . 0.0 110.617 177.498 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 27.7 t -63.22 -40.94 98.89 Favored 'General case' 0 C--N 1.319 -0.749 0 C-N-CA 123.924 0.89 . . . . 0.0 110.415 -179.686 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 78.1 mt-30 -67.42 -31.56 71.84 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.463 -0.335 . . . . 0.0 111.314 178.201 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 37' ' ' GLU . . . . . 0.57 ' O ' ' HG ' ' A' ' 41' ' ' LEU . 50.0 mt-10 -67.12 -37.47 83.92 Favored 'General case' 0 C--O 1.214 -0.776 0 N-CA-C 109.515 -0.55 . . . . 0.0 109.515 176.552 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -60.58 -45.37 94.21 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 108.906 -0.776 . . . . 0.0 108.906 179.925 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 29.7 t70 -63.93 -39.48 94.26 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.903 -0.59 . . . . 0.0 110.911 177.262 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 40' ' ' ARG . . . . . 0.406 ' O ' ' HG ' ' A' ' 44' ' ' LEU . 30.1 tpt180 -63.99 -35.91 82.24 Favored 'General case' 0 CA--C 1.535 0.386 0 CA-C-N 116.504 -0.316 . . . . 0.0 110.652 175.808 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.57 ' HG ' ' O ' ' A' ' 37' ' ' GLU . 90.7 mt -63.54 -41.85 98.43 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 110.314 -0.254 . . . . 0.0 110.314 177.607 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -61.38 -41.71 97.55 Favored 'General case' 0 N--CA 1.475 0.814 0 CA-C-O 121.823 0.82 . . . . 0.0 109.924 174.264 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 22.2 m-80 -67.65 -17.42 64.59 Favored 'General case' 0 C--O 1.205 -1.288 0 CA-C-N 114.718 -1.128 . . . . 0.0 112.76 179.728 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.406 ' HG ' ' O ' ' A' ' 40' ' ' ARG . 88.6 mt -66.65 -42.37 86.75 Favored 'General case' 0 C--O 1.215 -0.715 0 N-CA-C 109.965 -0.383 . . . . 0.0 109.965 175.495 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -65.0 -37.72 88.58 Favored 'General case' 0 N--CA 1.47 0.555 0 CA-C-O 121.343 0.592 . . . . 0.0 109.426 177.41 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 74.2 mt -66.56 -41.37 88.29 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.695 0 CA-C-N 115.218 -0.901 . . . . 0.0 109.888 178.125 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 35.2 tt0 . . . . . 0 C--N 1.319 -0.728 0 CA-C-N 115.61 -0.723 . . . . 0.0 110.721 -178.705 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 26.9 m . . . . . 0 N--CA 1.464 0.237 0 N-CA-C 112.252 0.464 . . . . 0.0 112.252 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 8.8 t -62.61 -27.27 69.08 Favored 'General case' 0 C--N 1.318 -0.776 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.329 175.163 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 7.0 mtpm? -75.84 -28.73 58.34 Favored 'General case' 0 N--CA 1.445 -0.676 0 N-CA-C 109.7 -0.481 . . . . 0.0 109.7 -179.755 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.458 ' O ' HG13 ' A' ' 10' ' ' ILE . 2.0 tm? -70.13 -40.32 74.89 Favored 'General case' 0 N--CA 1.448 -0.539 0 N-CA-C 107.118 -1.438 . . . . 0.0 107.118 177.302 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 24.9 t-20 -60.48 -40.71 92.28 Favored 'General case' 0 C--O 1.244 0.782 0 CA-C-N 115.574 -0.739 . . . . 0.0 110.104 176.212 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 15.2 t70 -61.49 -40.47 94.7 Favored 'General case' 0 C--O 1.244 0.807 0 CA-C-N 115.28 -0.873 . . . . 0.0 110.967 176.096 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 73.2 mtp180 -62.65 -40.17 96.21 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.721 -0.672 . . . . 0.0 110.418 176.209 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.458 HG13 ' O ' ' A' ' 6' ' ' LEU . 71.2 mt -60.74 -46.61 95.71 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.339 0 N-CA-C 109.495 -0.558 . . . . 0.0 109.495 177.014 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 16.5 mm-40 -55.94 -44.79 78.74 Favored 'General case' 0 N--CA 1.469 0.49 0 O-C-N 123.264 0.352 . . . . 0.0 111.295 177.369 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -63.34 -37.64 88.07 Favored 'General case' 0 C--O 1.242 0.667 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.723 -179.791 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 50.9 tptt -72.61 -36.33 68.07 Favored 'General case' 0 N--CA 1.449 -0.483 0 CA-C-N 115.931 -0.577 . . . . 0.0 109.581 -178.601 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.416 ' HG2' HD11 ' A' ' 38' ' ' LEU . 9.3 mtpm? -62.26 -48.02 81.75 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.743 -0.662 . . . . 0.0 110.654 176.908 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 30.0 mtpp -59.28 -39.84 84.18 Favored 'General case' 0 C--O 1.25 1.108 0 CA-C-O 121.32 0.581 . . . . 0.0 110.167 177.093 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' GLU . . . . . 0.497 ' O ' ' HG ' ' A' ' 20' ' ' LEU . 36.4 tt0 -66.48 -50.61 62.72 Favored 'General case' 0 N--CA 1.442 -0.843 0 CA-C-N 115.046 -0.979 . . . . 0.0 110.557 179.486 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.48 ' O ' HG23 ' A' ' 21' ' ' VAL . 52.7 tp -59.52 -41.31 89.7 Favored 'General case' 0 C--O 1.215 -0.718 0 CA-C-N 116.464 -0.335 . . . . 0.0 111.757 -177.753 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 79.1 mt -56.65 -43.1 78.21 Favored 'Isoleucine or valine' 0 C--O 1.238 0.484 0 CA-C-O 120.891 0.376 . . . . 0.0 110.018 176.96 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 85.5 t80 -67.26 -40.87 86.29 Favored 'General case' 0 CA--C 1.541 0.624 0 CA-C-N 115.767 -0.651 . . . . 0.0 110.688 178.03 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.51 HD13 ' CD2' ' A' ' 34' ' ' PHE . 85.1 mt -65.65 -37.4 86.42 Favored 'General case' 0 C--N 1.318 -0.773 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.514 -179.242 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.48 HG23 ' O ' ' A' ' 17' ' ' LEU . 87.6 t -64.04 -37.98 81.24 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.431 0 CA-C-O 121.247 0.546 . . . . 0.0 109.684 175.964 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 47.6 mm-40 -66.97 -40.34 87.41 Favored 'General case' 0 C--N 1.314 -0.973 0 CA-C-N 115.935 -0.575 . . . . 0.0 111.157 178.175 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 30.3 mmmt -82.26 -47.6 12.23 Favored 'General case' 0 C--N 1.31 -1.136 0 N-CA-C 113.564 0.95 . . . . 0.0 113.564 -175.922 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 90.3 m-85 -96.45 -39.03 9.78 Favored 'General case' 0 C--N 1.306 -1.307 0 CA-C-O 120.897 0.379 . . . . 0.0 111.967 -174.267 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 127.32 -169.45 19.16 Favored Glycine 0 N--CA 1.434 -1.435 0 N-CA-C 110.098 -1.201 . . . . 0.0 110.098 -177.414 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 38.6 p90 -113.22 -28.51 7.6 Favored 'General case' 0 C--N 1.309 -1.183 0 CA-C-N 117.424 0.612 . . . . 0.0 112.243 -179.314 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 12.6 p -89.94 -0.09 57.38 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.435 0.636 . . . . 0.0 111.252 178.753 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 23.1 t60 -66.66 127.01 30.77 Favored 'General case' 0 CA--C 1.538 0.5 0 N-CA-C 107.574 -1.269 . . . . 0.0 107.574 177.476 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 32.4 m170 -58.38 -39.51 79.8 Favored 'General case' 0 N--CA 1.477 0.925 0 N-CA-C 114.01 1.115 . . . . 0.0 114.01 -172.629 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 33.7 mmtp -65.79 -34.97 79.39 Favored 'General case' 0 C--O 1.214 -0.791 0 C-N-CA 120.775 -0.37 . . . . 0.0 111.507 177.724 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 94.5 t -66.24 -39.91 85.5 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.658 0 N-CA-C 109.588 -0.523 . . . . 0.0 109.588 178.231 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.432 ' O ' ' HG3' ' A' ' 36' ' ' GLN . 68.3 mt -64.45 -37.23 79.47 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.692 0 N-CA-C 109.084 -0.71 . . . . 0.0 109.084 175.87 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 29.2 t -65.97 -36.38 83.15 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.991 -0.549 . . . . 0.0 110.156 177.772 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 34' ' ' PHE . . . . . 0.51 ' CD2' HD13 ' A' ' 20' ' ' LEU . 20.8 m-85 -72.71 -30.46 64.21 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 121.034 0.445 . . . . 0.0 109.903 178.007 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 42.7 m -66.66 -37.98 85.91 Favored 'General case' 0 N--CA 1.446 -0.671 0 N-CA-C 109.002 -0.74 . . . . 0.0 109.002 175.263 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 36' ' ' GLN . . . . . 0.432 ' HG3' ' O ' ' A' ' 32' ' ' ILE . 79.2 mt-30 -63.12 -38.27 90.51 Favored 'General case' 0 C--O 1.223 -0.319 0 CA-C-N 115.722 -0.672 . . . . 0.0 109.647 175.596 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 37' ' ' GLU . . . . . 0.419 ' O ' ' HG ' ' A' ' 41' ' ' LEU . 25.7 mm-40 -64.48 -41.56 96.41 Favored 'General case' 0 C--O 1.219 -0.522 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.874 177.268 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.416 HD11 ' HG2' ' A' ' 14' ' ' LYS . 5.7 tt -59.45 -51.52 69.55 Favored 'General case' 0 C--O 1.237 0.411 0 N-CA-C 108.481 -0.933 . . . . 0.0 108.481 178.833 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 13.6 t70 -59.88 -40.25 88.06 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 115.204 -0.907 . . . . 0.0 111.167 178.326 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 40' ' ' ARG . . . . . 0.414 ' O ' ' HG ' ' A' ' 44' ' ' LEU . 38.1 ttm180 -64.12 -41.94 97.05 Favored 'General case' 0 C--N 1.311 -1.094 0 CA-C-N 115.561 -0.745 . . . . 0.0 111.092 179.425 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.419 ' HG ' ' O ' ' A' ' 37' ' ' GLU . 96.1 mt -66.35 -42.33 88.21 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.695 0.283 . . . . 0.0 110.398 177.263 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 63.1 tp -60.94 -42.52 98.34 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 121.137 0.494 . . . . 0.0 110.478 178.146 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 18.5 m-80 -68.38 -17.94 64.35 Favored 'General case' 0 C--N 1.314 -0.973 0 N-CA-C 112.92 0.711 . . . . 0.0 112.92 -179.447 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.414 ' HG ' ' O ' ' A' ' 40' ' ' ARG . 93.5 mt -64.73 -38.94 92.69 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 109.425 -0.583 . . . . 0.0 109.425 175.673 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 99.1 mt -62.83 -47.72 82.19 Favored 'General case' 0 CA--C 1.516 -0.328 0 N-CA-C 109.211 -0.663 . . . . 0.0 109.211 176.972 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 1.8 mp -58.71 -46.8 90.39 Favored 'Isoleucine or valine' 0 C--O 1.239 0.525 0 CA-C-N 115.135 -0.939 . . . . 0.0 111.08 179.341 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 . . . . . 0 CA--C 1.507 -0.702 0 N-CA-C 112.593 0.59 . . . . 0.0 112.593 179.218 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 34.4 m . . . . . 0 CA--C 1.54 0.564 0 N-CA-C 113.167 0.802 . . . . 0.0 113.167 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 15.3 t -65.04 -26.82 68.42 Favored 'General case' 0 CA--C 1.542 0.661 0 CA-C-O 121.403 0.621 . . . . 0.0 109.858 177.504 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 75.4 mmtt -76.3 -28.01 56.81 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.765 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 35.8 tp -71.33 -38.16 71.7 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 107.768 -1.197 . . . . 0.0 107.768 175.792 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 7' ' ' ASN . . . . . 0.448 ' HA ' HD12 ' A' ' 10' ' ' ILE . 58.1 t30 -67.81 -31.43 71.29 Favored 'General case' 0 CA--C 1.545 0.788 0 CA-C-N 115.158 -0.928 . . . . 0.0 109.632 176.031 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 18.6 t70 -67.68 -38.5 83.79 Favored 'General case' 0 N--CA 1.47 0.567 0 CA-C-N 115.738 -0.664 . . . . 0.0 110.006 176.204 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 36.7 mmt180 -59.08 -38.79 80.32 Favored 'General case' 0 N--CA 1.472 0.667 0 CA-C-N 116.142 -0.481 . . . . 0.0 109.996 175.558 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.594 ' O ' ' HG3' ' A' ' 14' ' ' LYS . 80.5 mt -62.54 -50.55 79.36 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.496 0 CA-C-N 115.35 -0.841 . . . . 0.0 109.122 176.639 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 11' ' ' GLU . . . . . 0.531 ' O ' ' HG2' ' A' ' 15' ' ' LYS . 42.3 tt0 -54.11 -50.17 67.49 Favored 'General case' 0 CA--C 1.512 -0.513 0 O-C-N 123.814 0.696 . . . . 0.0 111.292 -178.408 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -59.02 -35.09 72.69 Favored 'General case' 0 C--N 1.318 -0.781 0 CA-C-N 115.632 -0.713 . . . . 0.0 111.159 179.82 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.419 ' O ' ' HB3' ' A' ' 16' ' ' GLU . 23.8 ttmm -77.64 -30.7 52.33 Favored 'General case' 0 N--CA 1.441 -0.882 0 CA-C-N 116.055 -0.52 . . . . 0.0 111.158 -179.31 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.594 ' HG3' ' O ' ' A' ' 10' ' ' ILE . 56.1 mtpt -62.42 -42.64 99.59 Favored 'General case' 0 C--N 1.32 -0.701 0 N-CA-C 109.395 -0.594 . . . . 0.0 109.395 176.638 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 15' ' ' LYS . . . . . 0.531 ' HG2' ' O ' ' A' ' 11' ' ' GLU . 27.7 mmmt -65.29 -41.98 93.56 Favored 'General case' 0 C--O 1.246 0.896 0 N-CA-C 108.559 -0.904 . . . . 0.0 108.559 179.473 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 16' ' ' GLU . . . . . 0.419 ' HB3' ' O ' ' A' ' 13' ' ' LYS . 36.4 tt0 -57.82 -50.78 72.13 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 113.744 -1.571 . . . . 0.0 110.484 178.32 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.537 ' O ' HG23 ' A' ' 21' ' ' VAL . 51.9 tp -60.3 -41.14 92.82 Favored 'General case' 0 N--CA 1.444 -0.764 0 CA-C-N 115.988 -0.551 . . . . 0.0 111.496 -179.07 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.522 ' O ' ' HG2' ' A' ' 22' ' ' GLU . 71.1 mt -59.43 -46.67 92.53 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.524 0 N-CA-C 109.61 -0.515 . . . . 0.0 109.61 177.826 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 62.1 t80 -57.16 -45.4 83.66 Favored 'General case' 0 C--O 1.242 0.676 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.592 177.93 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 90.4 mt -67.43 -34.74 77.84 Favored 'General case' 0 C--N 1.31 -1.131 0 CA-C-N 115.273 -0.876 . . . . 0.0 112.541 -178.345 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.537 HG23 ' O ' ' A' ' 17' ' ' LEU . 89.8 t -67.12 -39.21 82.69 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.51 0 N-CA-C 109.537 -0.542 . . . . 0.0 109.537 177.119 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 22' ' ' GLU . . . . . 0.522 ' HG2' ' O ' ' A' ' 18' ' ' ILE . 33.1 mm-40 -62.24 -38.69 90.22 Favored 'General case' 0 C--N 1.316 -0.867 0 CA-C-N 115.877 -0.602 . . . . 0.0 110.548 177.876 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 73.8 mmtt -78.49 -47.52 17.22 Favored 'General case' 0 C--N 1.32 -0.687 0 N-CA-C 113.126 0.787 . . . . 0.0 113.126 -178.18 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 65.5 m-85 -89.02 -39.15 13.88 Favored 'General case' 0 C--N 1.307 -1.276 0 N-CA-C 114.065 1.135 . . . . 0.0 114.065 -175.187 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 129.04 156.23 8.83 Favored Glycine 0 C--N 1.303 -1.265 0 C-N-CA 119.849 -1.167 . . . . 0.0 111.306 -177.794 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 81.2 m-85 -65.77 123.24 19.21 Favored 'General case' 0 C--N 1.315 -0.893 0 CA-C-O 120.826 0.346 . . . . 0.0 111.397 179.181 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 15.1 m 62.48 24.87 14.82 Favored 'General case' 0 CA--C 1.564 1.498 0 CA-C-O 122.276 1.036 . . . . 0.0 111.403 176.375 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' HIS . . . . . 0.401 ' O ' ' HB ' ' A' ' 31' ' ' VAL . 43.2 t-80 -66.53 154.04 41.39 Favored 'General case' 0 CA--C 1.541 0.626 0 CA-C-N 115.787 -0.642 . . . . 0.0 109.857 176.406 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 60.6 t60 -48.38 -53.61 16.96 Favored 'General case' 0 CA--C 1.544 0.728 0 C-N-CA 124.924 1.29 . . . . 0.0 112.336 -177.713 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 75.5 mmtt -61.85 -38.28 87.64 Favored 'General case' 0 N--CA 1.468 0.45 0 CA-C-O 120.935 0.398 . . . . 0.0 110.274 179.541 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.401 ' HB ' ' O ' ' A' ' 28' ' ' HIS . 71.9 t -60.08 -43.3 92.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 CA-C-N 115.546 -0.752 . . . . 0.0 111.311 -179.28 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.5 ' O ' ' HG2' ' A' ' 36' ' ' GLN . 72.9 mt -61.47 -37.45 77.81 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.676 0 CA-C-O 121.092 0.472 . . . . 0.0 110.095 178.867 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 12.9 t -68.89 -38.46 79.65 Favored 'General case' 0 CA--C 1.547 0.859 0 CA-C-N 115.783 -0.644 . . . . 0.0 109.813 179.768 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 16.4 m-85 -69.7 -32.51 71.15 Favored 'General case' 0 N--CA 1.472 0.656 0 CA-C-O 121.323 0.582 . . . . 0.0 109.523 178.1 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 47.9 t -61.83 -37.88 86.1 Favored 'General case' 0 N--CA 1.445 -0.695 0 CA-C-N 115.342 -0.844 . . . . 0.0 109.427 177.502 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 36' ' ' GLN . . . . . 0.5 ' HG2' ' O ' ' A' ' 32' ' ' ILE . 81.0 mm-40 -66.85 -34.06 76.97 Favored 'General case' 0 C--O 1.219 -0.522 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.794 178.631 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 53.9 mt-10 -61.49 -48.12 82.54 Favored 'General case' 0 CA--C 1.518 -0.259 0 N-CA-C 109.625 -0.509 . . . . 0.0 109.625 176.534 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -64.37 -46.39 83.58 Favored 'General case' 0 C--O 1.239 0.541 0 CA-C-N 115.233 -0.894 . . . . 0.0 109.469 -178.475 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 12.9 t70 -56.38 -51.02 69.89 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.61 -0.723 . . . . 0.0 110.693 178.398 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 40' ' ' ARG . . . . . 0.487 ' HG2' ' O ' ' A' ' 36' ' ' GLN . 15.2 mmt180 -66.28 -33.28 75.39 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.212 -0.449 . . . . 0.0 112.077 -177.989 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -65.34 -41.67 93.68 Favored 'General case' 0 CA--C 1.542 0.642 0 CA-C-O 121.626 0.727 . . . . 0.0 109.072 177.949 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 6.5 tt -70.26 -35.05 73.53 Favored 'General case' 0 C--N 1.323 -0.579 0 N-CA-C 108.769 -0.826 . . . . 0.0 108.769 178.246 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 4.2 m-20 -65.55 -31.44 72.49 Favored 'General case' 0 N--CA 1.469 0.515 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.256 176.133 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.479 ' HG ' ' O ' ' A' ' 40' ' ' ARG . 95.0 mt -63.18 -45.5 91.5 Favored 'General case' 0 C--O 1.212 -0.904 0 N-CA-C 109.145 -0.687 . . . . 0.0 109.145 175.707 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 39.5 tp -57.18 -40.32 77.12 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.363 -0.835 . . . . 0.0 110.647 -179.568 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 74.3 mt -72.83 -50.5 32.75 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.917 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.476 178.13 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 30.8 tt0 . . . . . 0 N--CA 1.462 0.128 0 CA-C-N 115.998 -0.546 . . . . 0.0 111.131 -174.472 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 33.8 m . . . . . 0 C--O 1.217 -0.621 0 N-CA-C 111.339 0.126 . . . . 0.0 111.339 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 10.5 t -61.37 -33.08 73.06 Favored 'General case' 0 CA--C 1.541 0.625 0 CA-C-O 121.14 0.495 . . . . 0.0 110.703 178.178 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 5' ' ' LYS . . . . . 0.502 ' O ' ' HG3' ' A' ' 9' ' ' ARG 0.262 57.7 mmtt -77.73 -27.09 50.42 Favored 'General case' 0 N--CA 1.436 -1.163 0 N-CA-C 112.457 0.54 . . . . 0.0 112.457 176.467 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.44 ' O ' HG13 ' A' ' 10' ' ' ILE . 32.8 tp -68.38 -43.12 78.06 Favored 'General case' 0 C--N 1.321 -0.65 0 N-CA-C 108.033 -1.099 . . . . 0.0 108.033 172.833 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 19.3 m-80 -57.02 -42.85 81.15 Favored 'General case' 0 N--CA 1.478 0.934 0 CA-C-O 121.616 0.722 . . . . 0.0 109.602 174.213 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 8' ' ' ASP . . . . . 0.459 ' HB3' ' O ' ' A' ' 5' ' ' LYS . 10.2 t70 -56.5 -41.99 77.61 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 114.605 -1.179 . . . . 0.0 110.892 177.702 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 9' ' ' ARG . . . . . 0.502 ' HG3' ' O ' ' A' ' 5' ' ' LYS . 82.9 mtp180 -64.99 -41.44 95.4 Favored 'General case' 0 N--CA 1.467 0.391 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.061 179.332 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.525 ' O ' ' HG3' ' A' ' 14' ' ' LYS . 65.6 mt -60.36 -42.16 89.87 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-N 115.611 -0.722 . . . . 0.0 109.441 178.855 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 13.8 tp10 -59.34 -42.97 92.75 Favored 'General case' 0 C--O 1.243 0.743 0 CA-C-N 115.116 -0.947 . . . . 0.0 111.331 -177.543 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -72.95 -26.9 61.54 Favored 'General case' 0 C--N 1.316 -0.888 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.66 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 14.1 mmmm -76.68 -31.28 57.17 Favored 'General case' 0 C--N 1.31 -1.116 0 C-N-CA 120.242 -0.583 . . . . 0.0 110.699 -179.584 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.525 ' HG3' ' O ' ' A' ' 10' ' ' ILE . 92.7 mttt -59.53 -53.38 58.8 Favored 'General case' 0 CA--C 1.517 -0.326 0 N-CA-C 108.87 -0.789 . . . . 0.0 108.87 175.07 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 15' ' ' LYS . . . . . 0.548 ' HD3' ' N ' ' A' ' 16' ' ' GLU . 0.0 OUTLIER -65.05 -33.93 77.21 Favored 'General case' 0 N--CA 1.449 -0.491 0 CA-C-N 115.49 -0.777 . . . . 0.0 112.268 -176.346 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 16' ' ' GLU . . . . . 0.548 ' N ' ' HD3' ' A' ' 15' ' ' LYS . 40.3 tt0 -69.18 -43.44 74.21 Favored 'General case' 0 N--CA 1.439 -0.983 0 N-CA-C 109.171 -0.677 . . . . 0.0 109.171 179.047 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.477 ' O ' HG23 ' A' ' 21' ' ' VAL . 3.4 tm? -59.53 -48.17 82.68 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.866 -0.606 . . . . 0.0 109.583 178.701 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.505 ' O ' ' HG2' ' A' ' 22' ' ' GLU . 86.9 mt -55.68 -49.32 74.93 Favored 'Isoleucine or valine' 0 C--O 1.238 0.484 0 O-C-N 123.495 0.497 . . . . 0.0 110.166 179.133 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 86.8 t80 -59.86 -40.21 87.84 Favored 'General case' 0 C--O 1.243 0.737 0 O-C-N 124.005 0.816 . . . . 0.0 111.019 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.493 ' HG ' ' O ' ' A' ' 16' ' ' GLU . 92.6 mt -71.0 -33.62 70.56 Favored 'General case' 0 C--N 1.314 -0.978 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.366 179.698 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.477 HG23 ' O ' ' A' ' 17' ' ' LEU . 81.3 t -68.26 -33.48 60.8 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.744 0 N-CA-C 109.821 -0.437 . . . . 0.0 109.821 175.716 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 22' ' ' GLU . . . . . 0.505 ' HG2' ' O ' ' A' ' 18' ' ' ILE . 23.6 mm-40 -62.15 -48.78 78.57 Favored 'General case' 0 C--N 1.318 -0.784 0 CA-C-O 121.437 0.637 . . . . 0.0 109.977 177.016 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 34.4 mmtp -82.69 -41.77 18.92 Favored 'General case' 0 C--N 1.317 -0.81 0 N-CA-C 114.175 1.176 . . . . 0.0 114.175 -175.252 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' TYR . . . . . 0.451 ' HB3' ' CE1' ' A' ' 28' ' ' HIS . 98.3 m-85 -99.0 -41.85 7.38 Favored 'General case' 0 C--N 1.298 -1.666 0 N-CA-C 112.193 0.442 . . . . 0.0 112.193 -175.893 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 97.57 136.73 9.28 Favored Glycine 0 C--N 1.303 -1.288 0 C-N-CA 120.774 -0.727 . . . . 0.0 111.622 -178.068 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 26.5 t80 -84.0 92.42 7.84 Favored 'General case' 0 N--CA 1.433 -1.283 0 N-CA-C 108.598 -0.89 . . . . 0.0 108.598 -178.418 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 7.4 t -159.68 -41.21 0.05 Allowed 'General case' 0 C--N 1.297 -1.707 0 CA-C-N 115.701 -0.682 . . . . 0.0 110.488 178.445 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' HIS . . . . . 0.451 ' CE1' ' HB3' ' A' ' 24' ' ' TYR . 3.0 p-80 -87.07 159.79 18.81 Favored 'General case' 0 C--O 1.25 1.127 0 C-N-CA 120.298 -0.561 . . . . 0.0 111.372 179.411 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 57.8 m80 -56.68 -39.51 73.92 Favored 'General case' 0 N--CA 1.475 0.793 0 C-N-CA 124.196 0.998 . . . . 0.0 113.098 -172.323 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.429 ' HB3' ' CD2' ' A' ' 28' ' ' HIS . 53.9 tttp -49.95 -49.88 48.59 Favored 'General case' 0 C--O 1.252 1.23 0 O-C-N 123.809 0.693 . . . . 0.0 111.652 -179.266 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.52 ' HA ' ' CD2' ' A' ' 34' ' ' PHE . 70.3 t -73.22 -39.6 56.45 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.587 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.221 -177.732 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 61.8 mt -64.03 -36.61 77.42 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.699 0 CA-C-O 121.215 0.531 . . . . 0.0 110.072 -179.462 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 49.4 m -65.16 -28.17 69.22 Favored 'General case' 0 N--CA 1.443 -0.803 0 CA-C-N 115.943 -0.571 . . . . 0.0 111.536 177.824 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 34' ' ' PHE . . . . . 0.52 ' CD2' ' HA ' ' A' ' 31' ' ' VAL . 24.1 m-85 -69.62 -38.29 77.18 Favored 'General case' 0 C--N 1.344 0.328 0 N-CA-C 109.682 -0.488 . . . . 0.0 109.682 177.264 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 29.2 m -63.66 -32.31 73.75 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-O 121.086 0.469 . . . . 0.0 110.763 177.932 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 36' ' ' GLN . . . . . 0.439 ' O ' ' HG2' ' A' ' 40' ' ' ARG . 78.8 mt-30 -64.95 -31.54 72.82 Favored 'General case' 0 N--CA 1.451 -0.4 0 CA-C-N 115.817 -0.629 . . . . 0.0 110.26 176.711 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 37' ' ' GLU . . . . . 0.487 ' O ' ' HG ' ' A' ' 41' ' ' LEU . 51.7 mt-10 -64.42 -45.16 88.76 Favored 'General case' 0 C--O 1.224 -0.247 0 N-CA-C 108.66 -0.867 . . . . 0.0 108.66 177.635 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -59.91 -40.95 90.59 Favored 'General case' 0 N--CA 1.475 0.788 0 CA-C-N 115.746 -0.661 . . . . 0.0 110.811 177.545 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 12.2 t70 -56.5 -45.03 81.23 Favored 'General case' 0 C--O 1.245 0.852 0 CA-C-N 115.28 -0.873 . . . . 0.0 110.545 177.442 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 40' ' ' ARG . . . . . 0.532 ' O ' ' HG ' ' A' ' 44' ' ' LEU . 14.7 mmm180 -73.05 -43.1 62.4 Favored 'General case' 0 N--CA 1.445 -0.688 0 CA-C-N 115.598 -0.728 . . . . 0.0 111.017 -178.321 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.496 ' HB3' HG12 ' A' ' 10' ' ' ILE . 92.9 mt -61.24 -42.81 99.27 Favored 'General case' 0 C--N 1.33 -0.27 0 O-C-N 123.092 0.245 . . . . 0.0 110.863 -179.544 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 58.4 tp -58.65 -43.08 89.67 Favored 'General case' 0 N--CA 1.464 0.252 0 CA-C-O 121.256 0.55 . . . . 0.0 110.236 175.38 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 3.2 t-20 -69.0 -32.88 72.75 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 115.767 -0.651 . . . . 0.0 110.719 -178.098 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.532 ' HG ' ' O ' ' A' ' 40' ' ' ARG . 81.1 mt -58.01 -33.11 68.59 Favored 'General case' 0 N--CA 1.471 0.622 0 N-CA-C 112.446 0.536 . . . . 0.0 112.446 -179.251 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 88.3 mt -60.6 -48.19 82.88 Favored 'General case' 0 N--CA 1.468 0.442 0 CA-C-O 121.749 0.785 . . . . 0.0 109.309 177.612 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 35.8 mt -69.38 -46.73 76.04 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.124 0 CA-C-N 114.416 -1.265 . . . . 0.0 109.018 -178.534 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 3.7 tm-20 . . . . . 0 C--N 1.312 -1.031 0 C-N-CA 124.466 1.107 . . . . 0.0 110.295 -177.604 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 33.1 m . . . . . 0 N--CA 1.471 0.584 0 N-CA-C 112.449 0.537 . . . . 0.0 112.449 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 10.3 t -55.71 -27.44 50.43 Favored 'General case' 0 CA--C 1.548 0.884 0 C-N-CA 123.466 0.706 . . . . 0.0 112.153 179.657 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 5' ' ' LYS . . . . . 0.544 ' O ' ' HG3' ' A' ' 9' ' ' ARG . 62.7 pttt -58.65 -34.58 71.37 Favored 'General case' 0 C--O 1.22 -0.497 0 CA-C-O 121.096 0.474 . . . . 0.0 110.32 -179.705 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.559 ' O ' HG13 ' A' ' 10' ' ' ILE . 42.0 tp -68.33 -45.73 72.11 Favored 'General case' 0 N--CA 1.44 -0.949 0 CA-C-N 115.806 -0.634 . . . . 0.0 109.652 -176.574 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 9.1 t30 -65.74 -35.12 79.82 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.513 -179.194 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 8' ' ' ASP . . . . . 0.452 ' O ' ' HB2' ' A' ' 11' ' ' GLU . 21.6 t70 -69.51 -36.73 76.72 Favored 'General case' 0 C--O 1.24 0.554 0 CA-C-N 115.857 -0.61 . . . . 0.0 110.38 179.319 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 9' ' ' ARG . . . . . 0.544 ' HG3' ' O ' ' A' ' 5' ' ' LYS . 71.7 mtp180 -70.21 -31.48 68.94 Favored 'General case' 0 C--N 1.325 -0.468 0 C-N-CA 120.776 -0.369 . . . . 0.0 110.523 177.942 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.559 HG13 ' O ' ' A' ' 6' ' ' LEU . 73.3 mt -63.22 -43.51 98.79 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.224 0 N-CA-C 109.144 -0.687 . . . . 0.0 109.144 175.463 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 11' ' ' GLU . . . . . 0.481 ' HA ' ' HE2' ' A' ' 14' ' ' LYS . 24.3 mm-40 -49.72 -48.6 49.88 Favored 'General case' 0 N--CA 1.483 1.216 0 C-N-CA 123.461 0.704 . . . . 0.0 110.623 176.027 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -69.28 -30.02 68.04 Favored 'General case' 0 C--N 1.307 -1.255 0 CA-C-N 115.154 -0.93 . . . . 0.0 112.029 -178.34 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 75.7 tttt -77.49 -30.71 53.18 Favored 'General case' 0 N--CA 1.445 -0.678 0 CA-C-O 121.651 0.738 . . . . 0.0 109.543 -171.694 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.504 ' O ' HG13 ' A' ' 18' ' ' ILE . 44.2 mtmt -71.18 -37.87 72.14 Favored 'General case' 0 C--N 1.306 -1.313 0 CA-C-N 114.813 -1.085 . . . . 0.0 110.075 178.155 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 51.7 mtpt -76.41 -30.04 57.3 Favored 'General case' 0 C--O 1.239 0.534 0 CA-C-O 121.114 0.483 . . . . 0.0 110.297 179.006 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 6.8 tp10 -63.39 -45.14 92.42 Favored 'General case' 0 C--N 1.319 -0.74 0 N-CA-C 107.637 -1.246 . . . . 0.0 107.637 175.077 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.491 ' O ' HG23 ' A' ' 21' ' ' VAL . 31.6 tp -65.42 -34.04 77.35 Favored 'General case' 0 N--CA 1.439 -0.989 0 CA-C-N 114.804 -1.089 . . . . 0.0 110.661 -179.375 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.504 HG13 ' O ' ' A' ' 14' ' ' LYS . 75.0 mt -58.19 -44.18 87.24 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.624 0 N-CA-C 109.539 -0.541 . . . . 0.0 109.539 175.145 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 91.5 t80 -61.68 -37.3 83.59 Favored 'General case' 0 CA--C 1.542 0.64 0 CA-C-O 121.551 0.691 . . . . 0.0 110.725 179.134 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.428 HD13 ' CD2' ' A' ' 34' ' ' PHE . 81.8 mt -71.24 -37.38 71.99 Favored 'General case' 0 C--N 1.305 -1.358 0 CA-C-N 115.624 -0.716 . . . . 0.0 111.086 179.087 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.491 HG23 ' O ' ' A' ' 17' ' ' LEU . 63.3 t -70.46 -34.69 58.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 N-CA-C 109.599 -0.519 . . . . 0.0 109.599 177.25 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 2.9 tm-20 -60.71 -52.87 63.26 Favored 'General case' 0 N--CA 1.418 -2.035 0 C-N-CA 124.12 0.968 . . . . 0.0 109.344 177.488 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 33.4 mmtm -82.92 -30.53 28.35 Favored 'General case' 0 C--N 1.318 -0.763 0 N-CA-C 116.626 2.084 . . . . 0.0 116.626 -177.002 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 36.7 m-85 -105.96 -48.6 3.58 Favored 'General case' 0 C--N 1.302 -1.459 0 C-N-CA 120.263 -0.575 . . . . 0.0 112.079 179.773 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 122.39 -173.06 15.87 Favored Glycine 0 C--N 1.291 -1.943 0 N-CA-C 109.392 -1.483 . . . . 0.0 109.392 -174.536 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 51.6 p90 -100.08 -12.4 19.71 Favored 'General case' 0 C--N 1.309 -1.168 0 CA-C-N 118.009 0.904 . . . . 0.0 111.635 -179.54 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 15.4 p -93.38 17.77 10.81 Favored 'General case' 0 C--N 1.313 -1.021 0 CA-C-O 121.154 0.502 . . . . 0.0 111.468 -178.805 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 15.7 t60 -101.22 130.9 47.41 Favored 'General case' 0 C--N 1.304 -1.404 0 N-CA-C 108.331 -0.988 . . . . 0.0 108.331 -177.312 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 52.0 t-80 -58.13 -38.97 77.55 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 112.95 0.722 . . . . 0.0 112.95 -175.012 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 90.4 mttt -56.86 -45.6 82.35 Favored 'General case' 0 N--CA 1.484 1.274 0 N-CA-C 109.406 -0.59 . . . . 0.0 109.406 178.643 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 99.5 t -58.84 -43.88 89.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 CA-C-N 115.364 -0.834 . . . . 0.0 110.432 -179.489 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 68.8 mt -66.18 -36.46 77.46 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.737 0 CA-C-N 116.005 -0.543 . . . . 0.0 109.993 178.981 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 46.7 t -65.77 -41.76 91.66 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.25 177.357 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 34' ' ' PHE . . . . . 0.428 ' CD2' HD13 ' A' ' 20' ' ' LEU . 68.0 m-85 -70.68 -36.63 73.42 Favored 'General case' 0 C--N 1.327 -0.377 0 C-N-CA 120.392 -0.523 . . . . 0.0 110.742 178.474 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 22.8 t -61.57 -47.01 87.45 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.277 -178.784 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 11.3 pt20 -68.05 -30.1 69.22 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 121.21 0.528 . . . . 0.0 111.444 179.618 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 35.4 mm-40 -72.92 -33.21 65.83 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.343 0.592 . . . . 0.0 110.134 177.111 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.425 HD11 ' HG2' ' A' ' 14' ' ' LYS . 5.8 tt -70.77 -42.25 70.66 Favored 'General case' 0 C--N 1.312 -1.063 0 N-CA-C 107.612 -1.255 . . . . 0.0 107.612 177.83 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 27.8 t70 -56.81 -45.98 81.91 Favored 'General case' 0 C--N 1.317 -0.845 0 CA-C-N 115.021 -0.99 . . . . 0.0 110.382 177.744 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 22.9 tpp180 -65.33 -35.4 80.89 Favored 'General case' 0 CA--C 1.543 0.683 0 CA-C-N 115.695 -0.684 . . . . 0.0 111.139 177.204 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 38.9 tp -66.61 -39.46 88.35 Favored 'General case' 0 N--CA 1.444 -0.743 0 N-CA-C 109.45 -0.574 . . . . 0.0 109.45 -179.245 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 57.4 tp -67.72 -35.13 78.2 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.536 -0.756 . . . . 0.0 110.398 178.107 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 13.3 m120 -58.28 -34.65 70.75 Favored 'General case' 0 N--CA 1.478 0.927 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.603 178.074 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 87.7 mt -57.18 -32.97 66.98 Favored 'General case' 0 C--O 1.22 -0.448 0 N-CA-C 113.0 0.741 . . . . 0.0 113.0 -177.351 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 94.1 mt -61.45 -43.1 99.46 Favored 'General case' 0 C--O 1.243 0.732 0 CA-C-O 121.454 0.645 . . . . 0.0 110.01 178.464 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.404 ' N ' HD12 ' A' ' 46' ' ' ILE . 2.9 mp -73.9 -49.03 36.5 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.146 0 CA-C-N 115.479 -0.782 . . . . 0.0 109.268 179.329 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 68.1 mm-40 . . . . . 0 C--N 1.314 -0.936 0 N-CA-C 113.895 1.072 . . . . 0.0 113.895 -175.464 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 33.3 m . . . . . 0 C--O 1.211 -0.94 0 N-CA-C 114.56 1.319 . . . . 0.0 114.56 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 8.9 t -54.96 -38.7 68.1 Favored 'General case' 0 CA--C 1.56 1.33 0 CA-C-O 121.151 0.501 . . . . 0.0 111.505 179.656 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 73.2 mmtt -79.01 -27.68 43.27 Favored 'General case' 0 C--O 1.24 0.583 0 CA-C-O 120.964 0.411 . . . . 0.0 111.795 179.351 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.483 ' O ' HG13 ' A' ' 10' ' ' ILE . 26.2 tp -72.95 -47.82 42.16 Favored 'General case' 0 C--N 1.314 -0.965 0 N-CA-C 108.224 -1.028 . . . . 0.0 108.224 178.754 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 36.5 m-80 -58.18 -43.9 87.73 Favored 'General case' 0 N--CA 1.469 0.521 0 CA-C-N 115.455 -0.793 . . . . 0.0 111.236 177.194 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 21.0 t70 -55.59 -44.15 76.68 Favored 'General case' 0 N--CA 1.473 0.696 0 CA-C-N 115.833 -0.621 . . . . 0.0 111.857 178.949 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 59.0 mtm180 -68.64 -32.1 71.71 Favored 'General case' 0 C--N 1.317 -0.839 0 N-CA-C 112.459 0.541 . . . . 0.0 112.459 179.126 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.517 ' O ' ' HG3' ' A' ' 14' ' ' LYS . 60.6 mt -66.71 -45.86 87.14 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.581 0 N-CA-C 108.369 -0.974 . . . . 0.0 108.369 177.177 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 5.3 tp10 -57.98 -49.27 77.37 Favored 'General case' 0 C--O 1.256 1.438 0 CA-C-N 114.868 -1.06 . . . . 0.0 109.505 -179.45 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -59.91 -37.08 78.41 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 114.661 -1.154 . . . . 0.0 111.701 179.703 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 29.0 mmtm -71.6 -31.63 67.12 Favored 'General case' 0 CA--C 1.504 -0.823 0 N-CA-C 111.994 0.368 . . . . 0.0 111.994 -177.062 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.517 ' HG3' ' O ' ' A' ' 10' ' ' ILE . 88.9 mttt -61.45 -51.15 69.91 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-O 121.656 0.741 . . . . 0.0 109.387 178.02 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 72.2 mmtt -71.08 -27.32 63.53 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 114.951 -1.022 . . . . 0.0 110.726 -175.37 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 35.8 tt0 -78.1 -36.76 47.66 Favored 'General case' 0 C--N 1.31 -1.134 0 CA-C-N 115.182 -0.917 . . . . 0.0 108.987 -176.642 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.458 HD21 ' HB2' ' A' ' 34' ' ' PHE . 13.6 mt -61.05 -40.02 92.03 Favored 'General case' 0 N--CA 1.43 -1.454 0 CA-C-N 115.092 -0.958 . . . . 0.0 111.047 174.855 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.51 ' O ' ' HG3' ' A' ' 22' ' ' GLU . 76.0 mt -57.25 -45.49 84.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 123.655 0.597 . . . . 0.0 109.909 177.155 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 79.1 t80 -59.11 -49.11 79.14 Favored 'General case' 0 C--O 1.236 0.355 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.635 177.003 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.432 ' HB3' HG22 ' A' ' 31' ' ' VAL . 79.0 mt -63.62 -41.68 98.27 Favored 'General case' 0 C--N 1.314 -0.943 0 CA-C-N 115.985 -0.552 . . . . 0.0 111.211 -178.191 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 71.2 t -60.97 -44.75 98.75 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.663 0 CA-C-N 116.513 -0.312 . . . . 0.0 110.78 175.84 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' GLU . . . . . 0.51 ' HG3' ' O ' ' A' ' 18' ' ' ILE . 29.2 mt-10 -67.98 -31.73 71.64 Favored 'General case' 0 C--N 1.316 -0.871 0 C-N-CA 120.56 -0.456 . . . . 0.0 111.82 -179.458 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 14.3 mmmm -82.83 -48.11 11.13 Favored 'General case' 0 C--N 1.317 -0.81 0 N-CA-C 113.666 0.987 . . . . 0.0 113.666 179.667 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 67.0 m-85 -108.19 -36.89 6.17 Favored 'General case' 0 C--N 1.309 -1.181 0 N-CA-C 112.191 0.441 . . . . 0.0 112.191 -173.297 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 115.66 -159.65 13.71 Favored Glycine 0 C--N 1.294 -1.787 0 N-CA-C 110.836 -0.906 . . . . 0.0 110.836 -175.538 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 98.2 m-85 -102.86 -15.63 16.15 Favored 'General case' 0 C--N 1.315 -0.917 0 N-CA-C 111.691 0.256 . . . . 0.0 111.691 -178.119 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 7.4 m -82.18 -18.67 41.89 Favored 'General case' 0 C--N 1.317 -0.826 0 CA-C-O 121.353 0.597 . . . . 0.0 110.893 -174.959 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 44.7 t60 -59.52 122.94 15.29 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-N 115.46 -0.791 . . . . 0.0 110.959 -179.114 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 77.3 m-70 -54.52 -43.45 71.92 Favored 'General case' 0 N--CA 1.473 0.684 0 C-N-CA 124.579 1.152 . . . . 0.0 112.79 -174.198 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 68.1 mttm -64.31 -37.74 88.56 Favored 'General case' 0 C--O 1.218 -0.562 0 C-N-CA 120.938 -0.305 . . . . 0.0 110.805 179.767 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.432 HG22 ' HB3' ' A' ' 20' ' ' LEU . 92.9 t -61.91 -45.91 97.65 Favored 'Isoleucine or valine' 0 C--O 1.238 0.47 0 N-CA-C 109.491 -0.559 . . . . 0.0 109.491 -179.793 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 60.5 mt -60.49 -46.68 95.0 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.616 0 CA-C-N 115.492 -0.777 . . . . 0.0 109.055 177.374 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 43.1 m -59.74 -40.58 88.54 Favored 'General case' 0 CA--C 1.55 0.967 0 CA-C-N 115.585 -0.734 . . . . 0.0 112.048 179.781 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 34' ' ' PHE . . . . . 0.458 ' HB2' HD21 ' A' ' 17' ' ' LEU . 32.3 m-85 -73.21 -30.46 63.52 Favored 'General case' 0 C--O 1.227 -0.118 0 O-C-N 122.112 -0.367 . . . . 0.0 111.176 178.441 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 41.2 m -64.31 -39.48 93.98 Favored 'General case' 0 C--O 1.243 0.72 0 N-CA-C 109.146 -0.687 . . . . 0.0 109.146 176.38 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 89.8 mt-30 -70.18 -34.1 72.55 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 114.873 -1.058 . . . . 0.0 109.925 177.415 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 7.3 tp10 -65.33 -49.92 67.6 Favored 'General case' 0 C--N 1.33 -0.281 0 C-N-CA 123.478 0.711 . . . . 0.0 109.325 178.481 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 5.8 tt -58.38 -46.24 86.73 Favored 'General case' 0 N--CA 1.469 0.51 0 C-N-CA 123.896 0.878 . . . . 0.0 109.183 179.406 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 20.8 t70 -59.57 -41.28 89.83 Favored 'General case' 0 C--O 1.241 0.652 0 CA-C-N 115.359 -0.837 . . . . 0.0 110.755 178.677 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 40' ' ' ARG . . . . . 0.498 ' O ' ' HG ' ' A' ' 44' ' ' LEU . 31.6 tpt180 -69.2 -40.25 78.13 Favored 'General case' 0 C--N 1.316 -0.863 0 CA-C-N 115.319 -0.855 . . . . 0.0 110.54 179.147 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.476 ' HB3' HG12 ' A' ' 10' ' ' ILE . 98.1 mt -61.25 -43.18 99.29 Favored 'General case' 0 N--CA 1.469 0.485 0 N-CA-C 110.06 -0.348 . . . . 0.0 110.06 177.873 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 51.4 tp -61.21 -44.11 97.81 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.452 0.644 . . . . 0.0 109.412 175.747 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 22.4 t-20 -63.7 -26.34 68.61 Favored 'General case' 0 C--O 1.209 -1.042 0 CA-C-N 115.3 -0.864 . . . . 0.0 111.776 -179.76 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.498 ' HG ' ' O ' ' A' ' 40' ' ' ARG . 80.3 mt -64.44 -39.1 93.18 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-O 120.825 0.345 . . . . 0.0 110.142 176.203 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 92.0 mt -67.29 -39.69 86.0 Favored 'General case' 0 C--O 1.238 0.487 0 N-CA-C 109.243 -0.651 . . . . 0.0 109.243 176.926 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 71.0 mt -64.03 -48.46 85.83 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.675 0 CA-C-N 114.891 -1.05 . . . . 0.0 109.999 178.758 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 22.4 mm-40 . . . . . 0 CA--C 1.501 -0.923 0 N-CA-C 113.823 1.046 . . . . 0.0 113.823 -179.347 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 28.6 m . . . . . 0 CA--C 1.532 0.287 0 N-CA-C 111.985 0.365 . . . . 0.0 111.985 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 10.1 t -66.63 -34.38 77.75 Favored 'General case' 0 CA--C 1.553 1.07 0 CA-C-O 120.808 0.337 . . . . 0.0 110.524 177.14 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 53.5 mttp -69.93 -38.41 76.21 Favored 'General case' 0 C--O 1.243 0.714 0 N-CA-C 109.472 -0.566 . . . . 0.0 109.472 177.172 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.408 ' O ' HG13 ' A' ' 10' ' ' ILE . 33.5 tp -63.52 -44.03 95.44 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 114.697 -1.138 . . . . 0.0 109.46 179.194 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 7' ' ' ASN . . . . . 0.446 ' O ' ' HB ' ' A' ' 10' ' ' ILE . 58.0 t30 -63.18 -42.58 99.39 Favored 'General case' 0 N--CA 1.464 0.265 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.669 179.392 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 15.3 t70 -59.81 -38.29 81.54 Favored 'General case' 0 N--CA 1.478 0.932 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.275 178.469 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 79.2 mtp180 -63.98 -40.46 96.43 Favored 'General case' 0 N--CA 1.47 0.537 0 CA-C-N 115.887 -0.597 . . . . 0.0 109.978 176.81 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.446 ' HB ' ' O ' ' A' ' 7' ' ' ASN . 73.6 mt -59.27 -44.11 91.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-N 115.32 -0.855 . . . . 0.0 110.078 177.784 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 39.4 mt-10 -60.64 -37.49 81.66 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 116.015 -0.539 . . . . 0.0 111.532 -179.485 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -72.66 -37.0 68.08 Favored 'General case' 0 C--N 1.311 -1.082 0 CA-C-O 121.204 0.526 . . . . 0.0 110.54 178.723 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 48.0 mttm -72.94 -33.91 66.23 Favored 'General case' 0 C--N 1.321 -0.642 0 N-CA-C 112.112 0.412 . . . . 0.0 112.112 -178.685 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.529 ' O ' HG12 ' A' ' 18' ' ' ILE . 13.3 ptmm? -73.44 -29.53 62.61 Favored 'General case' 0 C--N 1.313 -0.998 0 C-N-CA 120.765 -0.374 . . . . 0.0 111.173 -179.258 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -71.86 -29.94 64.91 Favored 'General case' 0 C--O 1.241 0.642 0 CA-C-O 121.86 0.838 . . . . 0.0 110.453 176.305 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' GLU . . . . . 0.538 ' O ' ' HG ' ' A' ' 20' ' ' LEU . 12.6 tp10 -67.88 -43.96 78.16 Favored 'General case' 0 C--N 1.318 -0.785 0 N-CA-C 106.255 -1.757 . . . . 0.0 106.255 -179.635 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.456 ' O ' HG23 ' A' ' 21' ' ' VAL . 14.9 mt -54.84 -44.52 74.02 Favored 'General case' 0 C--O 1.207 -1.157 0 CA-C-N 113.778 -1.556 . . . . 0.0 112.433 176.387 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.532 ' O ' ' HG3' ' A' ' 22' ' ' GLU . 34.9 mm -54.4 -50.15 59.54 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.818 0 O-C-N 123.869 0.731 . . . . 0.0 109.089 179.37 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 88.8 t80 -60.89 -47.39 86.6 Favored 'General case' 0 N--CA 1.447 -0.623 0 CA-C-N 114.785 -1.098 . . . . 0.0 110.598 179.485 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.538 ' HG ' ' O ' ' A' ' 16' ' ' GLU . 87.8 mt -62.33 -46.03 90.56 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 115.851 -0.613 . . . . 0.0 111.76 -178.448 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.456 HG23 ' O ' ' A' ' 17' ' ' LEU . 84.3 t -58.37 -43.0 85.48 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.467 0 C-N-CA 122.874 0.469 . . . . 0.0 111.306 179.107 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 22' ' ' GLU . . . . . 0.532 ' HG3' ' O ' ' A' ' 18' ' ' ILE . 49.7 mt-10 -66.13 -48.7 69.97 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-O 121.462 0.648 . . . . 0.0 110.959 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 46.1 mmtm -79.83 -41.2 26.86 Favored 'General case' 0 C--N 1.312 -1.028 0 N-CA-C 113.409 0.892 . . . . 0.0 113.409 -170.564 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 81.5 m-85 -99.47 -27.7 13.6 Favored 'General case' 0 C--N 1.312 -1.035 0 CA-C-O 120.917 0.389 . . . . 0.0 111.908 -176.836 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 116.32 146.96 8.73 Favored Glycine 0 C--N 1.303 -1.25 0 C-N-CA 120.279 -0.963 . . . . 0.0 112.101 178.83 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 30.5 p90 -73.71 -15.54 61.22 Favored 'General case' 0 N--CA 1.472 0.633 0 CA-C-O 121.704 0.764 . . . . 0.0 110.265 178.411 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 3.9 m -90.25 -3.55 57.74 Favored 'General case' 0 N--CA 1.436 -1.168 0 CA-C-N 115.064 -0.971 . . . . 0.0 109.788 179.614 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 14.6 t60 -79.41 109.69 14.01 Favored 'General case' 0 N--CA 1.44 -0.956 0 N-CA-C 108.216 -1.031 . . . . 0.0 108.216 -177.969 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 49.2 m80 -60.18 -31.04 69.75 Favored 'General case' 0 C--N 1.318 -0.784 0 N-CA-C 115.016 1.487 . . . . 0.0 115.016 -172.435 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 49.4 mmtm -64.31 -35.62 81.44 Favored 'General case' 0 C--N 1.323 -0.568 0 C-N-CA 119.653 -0.819 . . . . 0.0 110.483 175.934 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 57.9 t -69.17 -38.62 78.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 N-CA-C 108.863 -0.791 . . . . 0.0 108.863 177.974 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 65.0 mt -64.62 -37.04 79.06 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.661 0 CA-C-N 115.592 -0.731 . . . . 0.0 109.941 176.949 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 30.3 t -60.89 -41.99 97.14 Favored 'General case' 0 C--N 1.322 -0.6 0 N-CA-C 109.53 -0.544 . . . . 0.0 109.53 175.981 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 16.6 m-85 -68.11 -33.72 75.04 Favored 'General case' 0 N--CA 1.468 0.449 0 N-CA-C 109.916 -0.401 . . . . 0.0 109.916 178.446 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 35' ' ' SER . . . . . 0.417 ' HA ' HD11 ' A' ' 17' ' ' LEU . 21.8 t -64.39 -38.75 92.13 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-N 116.153 -0.476 . . . . 0.0 109.812 178.262 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 49.6 mt-30 -71.39 -34.02 70.01 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 121.301 0.572 . . . . 0.0 110.272 177.08 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 6.1 tm-20 -64.08 -43.26 95.98 Favored 'General case' 0 C--N 1.321 -0.664 0 N-CA-C 107.747 -1.205 . . . . 0.0 107.747 178.271 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -66.43 -46.98 74.67 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 114.425 -1.261 . . . . 0.0 109.153 177.7 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 14.9 t70 -56.81 -41.67 78.17 Favored 'General case' 0 C--N 1.321 -0.656 0 C-N-CA 123.822 0.849 . . . . 0.0 111.401 179.713 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 26.9 tpt180 -68.11 -37.13 80.82 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.567 -179.757 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 95.5 mt -64.92 -41.1 95.84 Favored 'General case' 0 CA--C 1.515 -0.367 0 CA-C-O 121.145 0.498 . . . . 0.0 109.916 176.935 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 66.4 tp -62.52 -37.89 87.82 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.721 -0.672 . . . . 0.0 109.904 177.095 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 61.7 t30 -67.61 -32.32 72.95 Favored 'General case' 0 C--O 1.206 -1.199 0 CA-C-N 115.414 -0.812 . . . . 0.0 110.039 -178.392 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 73.2 mt -56.21 -46.01 79.66 Favored 'General case' 0 N--CA 1.469 0.491 0 C-N-CA 123.158 0.583 . . . . 0.0 110.909 176.873 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 88.7 mt -60.23 -50.09 75.02 Favored 'General case' 0 CA--C 1.514 -0.421 0 CA-C-N 115.791 -0.64 . . . . 0.0 109.697 179.306 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 66.3 mt -61.43 -47.39 93.65 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.981 0 CA-C-N 114.906 -1.043 . . . . 0.0 110.741 -178.622 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.245 0.841 0 C-N-CA 124.351 1.061 . . . . 0.0 109.842 -177.308 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 27.8 m . . . . . 0 C--O 1.218 -0.582 0 CA-C-O 120.82 0.343 . . . . 0.0 110.683 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 14.2 t -65.52 -30.58 71.35 Favored 'General case' 0 CA--C 1.545 0.777 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.31 178.465 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 97.5 mttt -78.17 -30.87 49.35 Favored 'General case' 0 CA--C 1.512 -0.517 0 CA-C-O 121.267 0.556 . . . . 0.0 109.853 179.528 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 35.5 tp -72.6 -41.74 65.3 Favored 'General case' 0 C--N 1.314 -0.942 0 N-CA-C 108.421 -0.955 . . . . 0.0 108.421 177.481 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 3.2 t-20 -59.75 -42.03 92.29 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.258 -0.883 . . . . 0.0 109.884 176.668 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 25.2 t70 -57.39 -35.2 69.7 Favored 'General case' 0 N--CA 1.471 0.603 0 CA-C-N 115.842 -0.617 . . . . 0.0 111.581 177.175 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 79.4 mtp180 -69.82 -42.12 74.08 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.112 178.233 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 74.9 mt -61.83 -46.38 96.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 N-CA-C 109.016 -0.735 . . . . 0.0 109.016 177.733 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 36.2 tt0 -59.87 -38.98 83.72 Favored 'General case' 0 C--N 1.312 -1.027 0 CA-C-N 114.578 -1.192 . . . . 0.0 110.406 -179.75 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -72.71 -34.72 67.31 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.949 -0.569 . . . . 0.0 111.236 178.625 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 16.6 tppt? -69.37 -34.93 75.3 Favored 'General case' 0 C--N 1.32 -0.7 0 N-CA-C 109.064 -0.717 . . . . 0.0 109.064 -178.445 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.401 ' O ' HG13 ' A' ' 18' ' ' ILE . 54.2 mttm -61.69 -41.47 97.63 Favored 'General case' 0 C--N 1.311 -1.098 0 CA-C-N 115.113 -0.949 . . . . 0.0 111.156 175.207 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 45.9 mmtm -65.55 -31.74 72.96 Favored 'General case' 0 N--CA 1.47 0.554 0 CA-C-O 121.384 0.612 . . . . 0.0 110.054 179.747 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' GLU . . . . . 0.523 ' O ' ' HG ' ' A' ' 20' ' ' LEU . 37.3 tt0 -72.08 -47.8 48.82 Favored 'General case' 0 N--CA 1.437 -1.088 0 CA-C-N 114.908 -1.042 . . . . 0.0 108.27 -178.36 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.444 ' O ' HG23 ' A' ' 21' ' ' VAL . 3.2 mm? -57.53 -49.77 75.26 Favored 'General case' 0 C--N 1.316 -0.856 0 CA-C-N 115.097 -0.956 . . . . 0.0 112.131 176.825 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.401 HG13 ' O ' ' A' ' 14' ' ' LYS . 85.6 mt -56.42 -39.68 62.65 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.643 0 CA-C-O 120.872 0.368 . . . . 0.0 110.518 178.867 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 36.9 t80 -65.13 -46.83 79.38 Favored 'General case' 0 C--O 1.246 0.905 0 CA-C-N 115.603 -0.726 . . . . 0.0 110.308 179.412 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.523 ' HG ' ' O ' ' A' ' 16' ' ' GLU . 86.1 mt -64.66 -41.07 96.36 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.617 -0.719 . . . . 0.0 110.959 -178.194 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.444 HG23 ' O ' ' A' ' 17' ' ' LEU . 85.4 t -60.53 -33.03 52.92 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.735 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.509 176.842 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 74.2 mm-40 -68.44 -48.96 63.2 Favored 'General case' 0 C--N 1.316 -0.891 0 N-CA-C 113.168 0.803 . . . . 0.0 113.168 177.037 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 61.9 mttp -82.66 -42.95 17.5 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 114.842 1.423 . . . . 0.0 114.842 -178.299 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 64.3 m-85 -91.35 -49.67 6.22 Favored 'General case' 0 C--N 1.312 -1.049 0 CA-C-O 121.678 0.751 . . . . 0.0 109.408 -178.5 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' GLY . . . . . 0.417 ' O ' ' HA ' ' A' ' 21' ' ' VAL . . . 121.58 -163.45 15.01 Favored Glycine 0 N--CA 1.42 -2.419 0 N-CA-C 109.479 -1.448 . . . . 0.0 109.479 -175.74 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 35.5 p90 -111.55 170.54 8.06 Favored 'General case' 0 C--N 1.288 -2.084 0 N-CA-C 108.624 -0.88 . . . . 0.0 108.624 179.136 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 30.5 p 61.89 9.93 3.25 Favored 'General case' 0 CA--C 1.551 0.991 0 C-N-CA 125.304 1.442 . . . . 0.0 113.699 -176.381 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 65.2 t60 -78.5 137.61 38.02 Favored 'General case' 0 N--CA 1.446 -0.631 0 N-CA-C 107.222 -1.399 . . . . 0.0 107.222 177.143 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 56.0 m-70 -66.79 -33.44 75.63 Favored 'General case' 0 C--N 1.314 -0.944 0 N-CA-C 115.102 1.519 . . . . 0.0 115.102 -170.83 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 63.0 mttp -64.45 -41.87 96.3 Favored 'General case' 0 CA--C 1.51 -0.583 0 N-CA-C 108.41 -0.959 . . . . 0.0 108.41 173.483 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 96.1 t -62.07 -39.56 84.23 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.614 0 CA-C-N 115.309 -0.859 . . . . 0.0 109.624 178.436 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 75.4 mt -60.73 -44.65 97.73 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.659 0 CA-C-O 121.196 0.522 . . . . 0.0 109.962 174.867 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 41.7 m -63.0 -34.95 78.64 Favored 'General case' 0 C--N 1.313 -0.995 0 CA-C-N 115.98 -0.555 . . . . 0.0 111.209 178.111 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 20.9 m-85 -77.78 -30.68 51.51 Favored 'General case' 0 C--N 1.32 -0.71 0 O-C-N 121.847 -0.533 . . . . 0.0 111.559 176.238 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 50.4 m -66.18 -40.99 90.88 Favored 'General case' 0 C--O 1.242 0.673 0 CA-C-O 120.95 0.405 . . . . 0.0 110.358 179.046 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 36' ' ' GLN . . . . . 0.578 ' O ' ' HG2' ' A' ' 40' ' ' ARG . 10.7 pt20 -72.2 -28.65 63.33 Favored 'General case' 0 C--O 1.208 -1.11 0 CA-C-N 116.215 -0.448 . . . . 0.0 109.965 176.034 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 38.5 tt0 -66.55 -39.43 88.54 Favored 'General case' 0 CA--C 1.535 0.373 0 CA-C-O 121.184 0.516 . . . . 0.0 109.656 176.651 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -61.01 -44.06 97.98 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 108.124 -1.065 . . . . 0.0 108.124 174.112 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 21.7 t70 -63.57 -34.85 78.71 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 114.985 -1.007 . . . . 0.0 111.112 179.291 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 40' ' ' ARG . . . . . 0.578 ' HG2' ' O ' ' A' ' 36' ' ' GLN . 28.0 mmt180 -62.48 -46.86 86.55 Favored 'General case' 0 CA--C 1.509 -0.61 0 N-CA-C 109.467 -0.568 . . . . 0.0 109.467 176.542 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 93.3 mt -61.69 -41.52 97.7 Favored 'General case' 0 CA--C 1.52 -0.193 0 CA-C-N 115.576 -0.738 . . . . 0.0 110.518 179.528 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 58.5 tp -64.26 -40.86 96.85 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 121.471 0.653 . . . . 0.0 109.819 177.581 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 9.6 m-80 -68.85 -20.0 64.27 Favored 'General case' 0 C--O 1.205 -1.249 0 CA-C-N 115.528 -0.76 . . . . 0.0 112.486 178.898 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.457 ' HG ' ' O ' ' A' ' 40' ' ' ARG . 80.2 mt -62.52 -31.53 72.32 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 111.889 0.329 . . . . 0.0 111.889 178.955 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 6.7 mp -67.95 -36.2 79.69 Favored 'General case' 0 N--CA 1.469 0.515 0 CA-C-O 121.44 0.638 . . . . 0.0 109.906 176.831 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 69.9 mt -73.02 -46.73 50.63 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.837 0 CA-C-N 115.214 -0.903 . . . . 0.0 108.773 178.117 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 23.6 tp10 . . . . . 0 C--N 1.317 -0.826 0 C-N-CA 125.858 1.663 . . . . 0.0 111.116 -179.964 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 35.5 m . . . . . 0 N--CA 1.464 0.259 0 N-CA-C 114.224 1.194 . . . . 0.0 114.224 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 15.3 t -63.9 -37.31 86.94 Favored 'General case' 0 C--O 1.208 -1.1 0 C-N-CA 119.858 -0.737 . . . . 0.0 110.526 179.941 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 30.8 mmmt -68.67 -32.96 73.17 Favored 'General case' 0 CA--C 1.503 -0.862 0 CA-C-O 121.149 0.5 . . . . 0.0 109.991 -178.116 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 53.2 tp -69.15 -51.18 40.9 Favored 'General case' 0 C--N 1.304 -1.397 0 CA-C-N 115.143 -0.935 . . . . 0.0 109.468 178.732 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 7' ' ' ASN . . . . . 0.444 ' O ' ' HG2' ' A' ' 11' ' ' GLU . 0.2 OUTLIER -64.51 -39.31 93.55 Favored 'General case' 0 CA--C 1.534 0.362 0 CA-C-N 115.95 -0.568 . . . . 0.0 109.835 -178.379 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 18.1 m-20 -63.14 -38.07 89.73 Favored 'General case' 0 N--CA 1.474 0.755 0 N-CA-C 112.174 0.435 . . . . 0.0 112.174 178.344 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 70.8 mtp180 -65.29 -38.85 91.5 Favored 'General case' 0 CA--C 1.51 -0.587 0 CA-C-O 120.848 0.356 . . . . 0.0 110.129 176.277 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 84.3 mt -61.0 -45.09 99.22 Favored 'Isoleucine or valine' 0 C--O 1.206 -1.212 0 CA-C-N 115.701 -0.681 . . . . 0.0 109.699 177.03 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 11' ' ' GLU . . . . . 0.444 ' HG2' ' O ' ' A' ' 7' ' ' ASN . 20.4 mm-40 -59.39 -36.17 75.31 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-O 121.207 0.527 . . . . 0.0 111.491 178.398 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -73.21 -36.77 66.55 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-O 121.023 0.439 . . . . 0.0 110.07 178.277 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.424 ' O ' ' HB3' ' A' ' 16' ' ' GLU . 4.0 tmtm? -71.8 -38.69 70.21 Favored 'General case' 0 C--N 1.317 -0.83 0 CA-C-N 115.374 -0.83 . . . . 0.0 109.003 -178.297 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.639 ' O ' HG12 ' A' ' 18' ' ' ILE . 55.7 mtpt -59.03 -53.26 60.43 Favored 'General case' 0 C--N 1.316 -0.877 0 C-N-CA 123.443 0.697 . . . . 0.0 111.493 178.689 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 31.9 mmmt -65.77 -26.79 67.88 Favored 'General case' 0 N--CA 1.476 0.872 0 CA-C-O 121.495 0.664 . . . . 0.0 110.756 -179.755 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 16' ' ' GLU . . . . . 0.424 ' HB3' ' O ' ' A' ' 13' ' ' LYS . 30.8 tt0 -67.1 -47.81 70.06 Favored 'General case' 0 C--N 1.314 -0.965 0 N-CA-C 108.344 -0.984 . . . . 0.0 108.344 176.769 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.526 ' O ' HG23 ' A' ' 21' ' ' VAL . 4.0 mt -61.29 -41.36 96.84 Favored 'General case' 0 C--O 1.197 -1.696 0 CA-C-N 114.705 -1.134 . . . . 0.0 111.987 179.493 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.639 HG12 ' O ' ' A' ' 14' ' ' LYS . 36.6 mm -52.65 -47.26 49.97 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.978 0 CA-C-O 121.688 0.756 . . . . 0.0 108.968 178.557 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 79.0 t80 -63.33 -49.68 72.98 Favored 'General case' 0 C--N 1.313 -0.993 0 CA-C-N 114.299 -1.319 . . . . 0.0 110.405 179.04 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 90.8 mt -65.8 -34.81 79.02 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 112.446 0.535 . . . . 0.0 112.446 -177.958 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.526 HG23 ' O ' ' A' ' 17' ' ' LEU . 71.7 t -62.24 -45.35 98.95 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.608 0 N-CA-C 109.892 -0.41 . . . . 0.0 109.892 177.409 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 22' ' ' GLU . . . . . 0.51 ' HG2' ' O ' ' A' ' 18' ' ' ILE . 47.3 mm-40 -67.61 -45.84 74.28 Favored 'General case' 0 C--N 1.318 -0.781 0 CA-C-O 121.344 0.592 . . . . 0.0 110.08 179.538 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 23.6 tptm -65.34 -48.38 73.2 Favored 'General case' 0 N--CA 1.428 -1.547 0 C-N-CA 123.858 0.863 . . . . 0.0 113.271 -177.119 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 66.2 m-85 -105.58 5.38 31.26 Favored 'General case' 0 C--N 1.32 -0.679 0 N-CA-C 114.226 1.195 . . . . 0.0 114.226 -173.788 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 80.34 11.34 84.35 Favored Glycine 0 C--N 1.309 -0.922 0 C-N-CA 120.558 -0.83 . . . . 0.0 114.703 170.499 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 26' ' ' PHE . . . . . 0.517 ' HB2' HG13 ' A' ' 21' ' ' VAL . 52.0 t80 70.23 -49.3 0.64 Allowed 'General case' 0 N--CA 1.475 0.782 0 C-N-CA 125.112 1.365 . . . . 0.0 114.041 177.908 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 18.7 p -67.91 -12.92 61.65 Favored 'General case' 0 C--N 1.315 -0.9 0 N-CA-C 113.479 0.918 . . . . 0.0 113.479 -174.944 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 78.4 t60 -64.0 125.1 23.34 Favored 'General case' 0 N--CA 1.444 -0.752 0 N-CA-C 107.468 -1.308 . . . . 0.0 107.468 173.847 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 21.1 t-80 -55.74 -32.36 63.32 Favored 'General case' 0 N--CA 1.471 0.611 0 N-CA-C 113.825 1.046 . . . . 0.0 113.825 -170.697 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 33.8 mmtp -64.6 -33.22 75.41 Favored 'General case' 0 C--N 1.324 -0.53 0 C-N-CA 119.717 -0.793 . . . . 0.0 111.966 176.816 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 47.2 t -68.23 -38.86 80.23 Favored 'Isoleucine or valine' 0 C--O 1.24 0.593 0 N-CA-C 108.453 -0.943 . . . . 0.0 108.453 178.559 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 63.3 mt -63.39 -37.73 80.31 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.783 0 CA-C-N 115.286 -0.87 . . . . 0.0 109.158 176.069 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 23.0 t -64.49 -45.21 88.29 Favored 'General case' 0 N--CA 1.444 -0.762 0 CA-C-N 115.895 -0.593 . . . . 0.0 109.745 177.811 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 16.4 m-85 -64.12 -33.41 75.71 Favored 'General case' 0 N--CA 1.464 0.241 0 CA-C-O 120.814 0.34 . . . . 0.0 110.446 179.643 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 35' ' ' SER . . . . . 0.423 ' HA ' HD11 ' A' ' 17' ' ' LEU . 39.9 m -64.53 -41.58 96.28 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.144 177.807 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 36' ' ' GLN . . . . . 0.542 ' O ' ' HG3' ' A' ' 40' ' ' ARG . 48.6 mt-30 -71.83 -31.14 66.22 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.284 179.205 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 42.9 tt0 -65.91 -44.0 86.47 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 115.729 -0.669 . . . . 0.0 109.84 177.341 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 6.7 tt -63.79 -43.91 94.92 Favored 'General case' 0 CA--C 1.517 -0.304 0 N-CA-C 108.489 -0.93 . . . . 0.0 108.489 177.757 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 21.7 t70 -55.68 -36.45 67.14 Favored 'General case' 0 C--O 1.216 -0.681 0 CA-C-N 115.566 -0.743 . . . . 0.0 111.632 178.87 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 40' ' ' ARG . . . . . 0.542 ' HG3' ' O ' ' A' ' 36' ' ' GLN . 99.0 mtt180 -63.1 -45.45 91.98 Favored 'General case' 0 N--CA 1.472 0.646 0 CA-C-O 120.848 0.356 . . . . 0.0 110.385 178.33 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 89.4 mt -69.08 -41.83 77.02 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.657 -0.701 . . . . 0.0 109.967 179.928 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 47.8 tp -61.41 -40.93 96.21 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-N 115.371 -0.831 . . . . 0.0 110.567 178.698 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 15.9 t-20 -63.73 -25.42 68.19 Favored 'General case' 0 C--O 1.215 -0.73 0 CA-C-N 115.305 -0.861 . . . . 0.0 110.409 -179.251 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 96.6 mt -69.15 -35.46 76.37 Favored 'General case' 0 N--CA 1.443 -0.787 0 CA-C-N 116.466 -0.334 . . . . 0.0 110.543 177.044 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 79.9 mt -67.64 -37.24 82.16 Favored 'General case' 0 N--CA 1.471 0.603 0 N-CA-C 109.484 -0.561 . . . . 0.0 109.484 175.039 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 66.2 mt -63.87 -40.95 90.91 Favored 'Isoleucine or valine' 0 C--O 1.242 0.663 0 CA-C-N 115.211 -0.904 . . . . 0.0 109.107 176.953 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 5.6 tp10 . . . . . 0 C--O 1.217 -0.633 0 CA-C-N 114.906 -1.043 . . . . 0.0 110.085 177.768 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 28.1 m . . . . . 0 C--O 1.219 -0.508 0 CA-C-O 120.866 0.365 . . . . 0.0 110.454 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 8.7 t -65.48 -32.89 74.75 Favored 'General case' 0 CA--C 1.551 0.995 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.992 175.933 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 5' ' ' LYS . . . . . 0.51 ' O ' ' HG3' ' A' ' 9' ' ' ARG . 31.9 mmtp -76.04 -37.29 58.52 Favored 'General case' 0 CA--C 1.5 -0.971 0 N-CA-C 109.668 -0.493 . . . . 0.0 109.668 178.056 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 23.4 tp -65.7 -38.97 90.69 Favored 'General case' 0 C--N 1.31 -1.128 0 N-CA-C 108.943 -0.762 . . . . 0.0 108.943 177.145 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 7' ' ' ASN . . . . . 0.417 ' O ' ' HB ' ' A' ' 10' ' ' ILE . 26.4 t-20 -60.94 -39.43 89.45 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.452 -0.795 . . . . 0.0 110.071 174.405 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 13.7 t70 -65.9 -36.31 83.05 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-N 115.623 -0.717 . . . . 0.0 110.384 179.09 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 9' ' ' ARG . . . . . 0.51 ' HG3' ' O ' ' A' ' 5' ' ' LYS . 97.1 mtt180 -65.84 -32.83 74.58 Favored 'General case' 0 C--O 1.243 0.72 0 CA-C-N 115.962 -0.563 . . . . 0.0 109.696 176.765 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.551 ' O ' ' HG3' ' A' ' 14' ' ' LYS . 83.0 mt -64.7 -39.36 85.37 Favored 'Isoleucine or valine' 0 C--O 1.21 -1.026 0 CA-C-N 115.494 -0.775 . . . . 0.0 109.541 174.989 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 11' ' ' GLU . . . . . 0.531 ' O ' ' HG3' ' A' ' 15' ' ' LYS . 39.7 tt0 -55.09 -49.3 72.03 Favored 'General case' 0 N--CA 1.472 0.645 0 CA-C-O 120.917 0.389 . . . . 0.0 110.418 179.256 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -66.09 -27.17 67.86 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.806 -0.633 . . . . 0.0 111.051 -179.782 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 55.5 tptt -75.87 -39.02 57.3 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-N 115.741 -0.663 . . . . 0.0 109.572 179.142 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.551 ' HG3' ' O ' ' A' ' 10' ' ' ILE . 50.3 mtpt -62.26 -47.57 83.76 Favored 'General case' 0 C--O 1.218 -0.556 0 CA-C-N 115.592 -0.731 . . . . 0.0 109.399 178.082 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 15' ' ' LYS . . . . . 0.531 ' HG3' ' O ' ' A' ' 11' ' ' GLU . 29.2 mtpp -59.05 -43.75 91.73 Favored 'General case' 0 N--CA 1.469 0.51 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.147 179.887 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 30.8 tt0 -58.76 -48.92 79.55 Favored 'General case' 0 C--O 1.246 0.902 0 CA-C-N 114.792 -1.095 . . . . 0.0 110.31 179.315 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.448 ' O ' HG23 ' A' ' 21' ' ' VAL . 34.3 tp -67.27 -48.69 66.94 Favored 'General case' 0 N--CA 1.445 -0.697 0 CA-C-N 115.021 -0.99 . . . . 0.0 110.735 -177.625 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.477 ' O ' ' HG2' ' A' ' 22' ' ' GLU . 76.7 mt -53.89 -45.59 63.29 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.455 0 C-N-CA 122.826 0.45 . . . . 0.0 110.701 179.335 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 87.8 t80 -54.32 -45.49 72.62 Favored 'General case' 0 C--O 1.245 0.827 0 C-N-CA 123.41 0.684 . . . . 0.0 111.142 178.923 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 92.1 mt -71.76 -39.59 69.9 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.176 -178.702 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.529 ' HA ' ' O ' ' A' ' 25' ' ' GLY . 67.6 t -64.77 -39.96 87.42 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.64 0 CA-C-N 116.465 -0.334 . . . . 0.0 110.933 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 22' ' ' GLU . . . . . 0.477 ' HG2' ' O ' ' A' ' 18' ' ' ILE . 36.5 mm-40 -64.0 -44.01 93.94 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-O 120.972 0.415 . . . . 0.0 110.886 178.458 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 8.4 mtpm? -82.49 -47.91 11.66 Favored 'General case' 0 C--N 1.321 -0.645 0 N-CA-C 114.231 1.197 . . . . 0.0 114.231 -175.478 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 73.3 m-85 -103.72 -39.93 6.48 Favored 'General case' 0 C--N 1.307 -1.248 0 CA-C-O 121.216 0.531 . . . . 0.0 111.247 -175.849 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 25' ' ' GLY . . . . . 0.529 ' O ' ' HA ' ' A' ' 21' ' ' VAL . . . 121.58 -157.61 16.4 Favored Glycine 0 C--N 1.29 -1.98 0 N-CA-C 109.248 -1.541 . . . . 0.0 109.248 -175.045 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 43.3 p90 -135.36 17.26 3.4 Favored 'General case' 0 C--N 1.303 -1.454 0 CA-C-N 117.692 0.746 . . . . 0.0 111.303 -177.406 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 4.9 m -88.53 -25.54 22.48 Favored 'General case' 0 C--N 1.294 -1.846 0 N-CA-C 112.23 0.456 . . . . 0.0 112.23 -174.65 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 37.3 p-80 -82.65 160.36 22.47 Favored 'General case' 0 C--O 1.244 0.813 0 C-N-CA 120.096 -0.642 . . . . 0.0 111.916 -176.555 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 73.8 m-70 -60.87 -32.26 71.7 Favored 'General case' 0 N--CA 1.477 0.881 0 N-CA-C 115.034 1.494 . . . . 0.0 115.034 -171.814 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -62.52 -47.6 83.23 Favored 'General case' 0 C--N 1.321 -0.649 0 C-N-CA 120.199 -0.6 . . . . 0.0 111.377 -179.878 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.445 HG13 HD11 ' A' ' 17' ' ' LEU . 85.1 t -61.75 -42.31 93.9 Favored 'Isoleucine or valine' 0 C--O 1.239 0.525 0 N-CA-C 110.105 -0.331 . . . . 0.0 110.105 178.988 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 68.8 mt -57.63 -48.86 82.34 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.473 0 CA-C-N 115.839 -0.619 . . . . 0.0 109.612 177.878 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 34.9 m -61.09 -41.52 96.81 Favored 'General case' 0 N--CA 1.446 -0.655 0 CA-C-N 115.793 -0.639 . . . . 0.0 111.44 179.603 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 25.9 m-85 -68.44 -33.57 74.43 Favored 'General case' 0 N--CA 1.453 -0.308 0 N-CA-C 111.801 0.297 . . . . 0.0 111.801 179.419 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 22.7 t -69.48 -35.71 75.84 Favored 'General case' 0 C--N 1.322 -0.617 0 N-CA-C 109.677 -0.49 . . . . 0.0 109.677 178.566 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 93.9 mt-30 -68.99 -35.19 76.42 Favored 'General case' 0 N--CA 1.468 0.471 0 CA-C-O 121.462 0.648 . . . . 0.0 109.646 175.758 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 30.1 tt0 -71.09 -41.82 70.13 Favored 'General case' 0 N--CA 1.44 -0.935 0 CA-C-N 115.404 -0.817 . . . . 0.0 110.488 179.813 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 6.4 tt -61.98 -42.76 99.49 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 107.977 -1.12 . . . . 0.0 107.977 176.796 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 17.1 t70 -56.38 -41.4 76.15 Favored 'General case' 0 C--O 1.22 -0.499 0 CA-C-N 115.044 -0.98 . . . . 0.0 111.318 176.102 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 40' ' ' ARG . . . . . 0.415 ' O ' ' HG ' ' A' ' 44' ' ' LEU . 34.4 ttp180 -65.07 -42.65 93.98 Favored 'General case' 0 C--N 1.318 -0.791 0 CA-C-N 115.843 -0.617 . . . . 0.0 111.063 -179.215 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 10.9 mp -66.26 -41.4 89.96 Favored 'General case' 0 N--CA 1.47 0.552 0 CA-C-O 121.099 0.476 . . . . 0.0 110.527 175.941 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 6.6 tt -63.73 -35.88 82.04 Favored 'General case' 0 C--N 1.322 -0.629 0 N-CA-C 109.291 -0.633 . . . . 0.0 109.291 179.567 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 43' ' ' ASN . . . . . 0.435 ' HA ' HD12 ' A' ' 46' ' ' ILE . 18.0 t-20 -65.6 -27.23 68.25 Favored 'General case' 0 C--N 1.317 -0.821 0 CA-C-N 115.748 -0.66 . . . . 0.0 110.988 -179.588 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.507 ' O ' ' HB3' ' A' ' 47' ' ' GLU . 87.3 mt -68.27 -31.59 71.16 Favored 'General case' 0 C--N 1.317 -0.821 0 CA-C-O 121.236 0.541 . . . . 0.0 109.885 177.265 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 9.6 mp -73.91 -33.65 64.06 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.627 174.599 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.435 HD12 ' HA ' ' A' ' 43' ' ' ASN . 63.3 mt -59.56 -37.7 71.72 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.59 0 CA-C-O 121.808 0.813 . . . . 0.0 109.284 176.072 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 47' ' ' GLU . . . . . 0.507 ' HB3' ' O ' ' A' ' 44' ' ' LEU . 26.5 tt0 . . . . . 0 CA--C 1.555 1.169 0 C-N-CA 125.114 1.366 . . . . 0.0 111.352 176.948 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 30.6 m . . . . . 0 C--O 1.221 -0.414 0 N-CA-C 111.919 0.34 . . . . 0.0 111.919 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 9.6 t -67.95 -35.67 78.78 Favored 'General case' 0 CA--C 1.549 0.917 0 C-N-CA 120.301 -0.56 . . . . 0.0 109.727 176.459 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 5' ' ' LYS . . . . . 0.438 ' O ' ' HG3' ' A' ' 9' ' ' ARG . 13.4 mptt -73.64 -30.94 63.25 Favored 'General case' 0 N--CA 1.449 -0.515 0 O-C-N 122.187 -0.321 . . . . 0.0 110.428 175.699 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.529 ' O ' HG13 ' A' ' 10' ' ' ILE . 48.1 tp -61.84 -49.57 75.75 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 108.323 -0.992 . . . . 0.0 108.323 174.114 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 41.4 t30 -58.2 -42.17 85.58 Favored 'General case' 0 N--CA 1.474 0.757 0 C-N-CA 123.66 0.784 . . . . 0.0 110.826 177.908 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 18.4 t70 -58.62 -43.2 89.56 Favored 'General case' 0 N--CA 1.47 0.562 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.265 178.399 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 9' ' ' ARG . . . . . 0.438 ' HG3' ' O ' ' A' ' 5' ' ' LYS . 82.2 mtp180 -64.03 -42.26 97.14 Favored 'General case' 0 C--O 1.218 -0.572 0 CA-C-N 115.671 -0.695 . . . . 0.0 110.51 177.236 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.529 HG13 ' O ' ' A' ' 6' ' ' LEU . 80.5 mt -62.73 -41.71 93.4 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.611 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.53 -179.57 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 33.0 tt0 -65.63 -40.04 92.14 Favored 'General case' 0 C--N 1.317 -0.826 0 CA-C-O 121.441 0.639 . . . . 0.0 109.895 179.628 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -68.15 -25.0 65.05 Favored 'General case' 0 C--N 1.315 -0.899 0 CA-C-N 115.489 -0.778 . . . . 0.0 110.449 177.234 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 54.6 tptt -77.3 -33.79 55.59 Favored 'General case' 0 N--CA 1.448 -0.572 0 N-CA-C 108.831 -0.803 . . . . 0.0 108.831 -179.491 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.529 ' O ' HG13 ' A' ' 18' ' ' ILE . 95.7 mttt -63.32 -48.6 77.37 Favored 'General case' 0 CA--C 1.507 -0.68 0 CA-C-N 115.467 -0.788 . . . . 0.0 109.072 177.199 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 34.5 mmtp -64.99 -30.75 71.76 Favored 'General case' 0 N--CA 1.467 0.392 0 CA-C-N 115.33 -0.85 . . . . 0.0 110.432 -179.714 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 33.2 tt0 -69.78 -45.23 68.46 Favored 'General case' 0 N--CA 1.44 -0.973 0 N-CA-C 107.937 -1.134 . . . . 0.0 107.937 -178.956 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 5.1 mt -64.15 -36.48 84.2 Favored 'General case' 0 C--O 1.211 -0.953 0 CA-C-N 115.168 -0.924 . . . . 0.0 112.164 177.256 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.529 HG13 ' O ' ' A' ' 14' ' ' LYS . 77.2 mt -62.01 -48.56 87.98 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.637 0 N-CA-C 109.1 -0.704 . . . . 0.0 109.1 176.768 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 19' ' ' TYR . . . . . 0.529 ' O ' ' HG2' ' A' ' 23' ' ' LYS . 92.3 t80 -63.43 -52.19 62.55 Favored 'General case' 0 N--CA 1.437 -1.088 0 CA-C-N 115.436 -0.802 . . . . 0.0 110.972 179.375 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 89.5 mt -65.21 -35.1 80.02 Favored 'General case' 0 C--N 1.319 -0.736 0 N-CA-C 113.224 0.824 . . . . 0.0 113.224 -176.65 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.407 HG12 ' O ' ' A' ' 18' ' ' ILE . 8.4 p -66.43 -39.56 84.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 C-N-CA 120.359 -0.536 . . . . 0.0 109.836 -179.187 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 22' ' ' GLU . . . . . 0.427 ' HG3' ' O ' ' A' ' 18' ' ' ILE . 43.9 mt-10 -68.92 -37.35 78.87 Favored 'General case' 0 C--N 1.307 -1.278 0 CA-C-N 115.855 -0.611 . . . . 0.0 112.073 177.207 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.529 ' HG2' ' O ' ' A' ' 19' ' ' TYR . 32.3 mmmt -78.77 -39.11 36.92 Favored 'General case' 0 N--CA 1.47 0.525 0 N-CA-C 112.637 0.606 . . . . 0.0 112.637 -176.722 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 24.4 m-85 -86.08 -42.58 13.8 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-O 120.922 0.391 . . . . 0.0 111.327 -179.674 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 134.47 146.03 5.34 Favored Glycine 0 N--CA 1.428 -1.847 0 N-CA-C 110.336 -1.106 . . . . 0.0 110.336 -178.211 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 97.2 m-85 -72.03 128.07 34.56 Favored 'General case' 0 C--N 1.305 -1.351 0 N-CA-C 109.154 -0.684 . . . . 0.0 109.154 -179.739 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 19.1 m 65.53 83.51 0.17 Allowed 'General case' 0 C--O 1.245 0.822 0 C-N-CA 124.217 1.007 . . . . 0.0 109.174 -172.261 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 51.7 t-80 -134.27 142.92 47.48 Favored 'General case' 0 C--N 1.302 -1.46 0 N-CA-C 106.894 -1.521 . . . . 0.0 106.894 -177.621 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 24.4 p-80 -54.65 -40.26 68.84 Favored 'General case' 0 C--N 1.318 -0.763 0 N-CA-C 113.55 0.944 . . . . 0.0 113.55 -174.511 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 63.3 mttp -70.41 -40.17 74.03 Favored 'General case' 0 CA--C 1.516 -0.342 0 N-CA-C 112.092 0.404 . . . . 0.0 112.092 -179.106 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 21.2 m -67.98 -32.83 57.94 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.236 0 C-N-CA 120.215 -0.594 . . . . 0.0 111.081 -177.363 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 77.5 mt -62.31 -42.33 95.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 CA-C-N 115.925 -0.58 . . . . 0.0 109.442 175.936 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 18.0 m -64.71 -41.05 96.28 Favored 'General case' 0 CA--C 1.541 0.628 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.498 177.863 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 18.1 m-85 -66.68 -36.8 83.38 Favored 'General case' 0 C--O 1.24 0.575 0 CA-C-N 116.431 -0.35 . . . . 0.0 110.279 179.433 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 34.3 t -64.1 -43.11 96.37 Favored 'General case' 0 N--CA 1.443 -0.78 0 CA-C-N 115.693 -0.685 . . . . 0.0 110.55 179.47 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 79.6 mt-30 -63.71 -34.05 77.0 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 116.619 -0.264 . . . . 0.0 111.476 178.915 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 7.7 mm-40 -68.91 -47.6 65.39 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.911 175.474 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 6.2 tt -58.22 -42.62 86.68 Favored 'General case' 0 N--CA 1.466 0.365 0 N-CA-C 108.792 -0.818 . . . . 0.0 108.792 178.625 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 24.5 t70 -62.53 -40.77 97.84 Favored 'General case' 0 C--N 1.317 -0.84 0 CA-C-N 115.332 -0.849 . . . . 0.0 110.912 -179.362 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 63.7 ttp85 -68.75 -43.05 76.63 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.696 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.419 ' O ' ' HB2' ' A' ' 44' ' ' LEU . 10.7 mp -67.86 -36.21 79.89 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 120.843 0.354 . . . . 0.0 110.843 177.367 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 53.2 tp -61.05 -41.67 97.04 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 121.615 0.721 . . . . 0.0 109.221 175.473 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 65.2 t30 -63.45 -33.8 76.35 Favored 'General case' 0 N--CA 1.438 -1.032 0 CA-C-N 114.849 -1.068 . . . . 0.0 110.337 179.699 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.419 ' HB2' ' O ' ' A' ' 41' ' ' LEU . 72.7 mt -56.39 -41.97 77.15 Favored 'General case' 0 N--CA 1.47 0.561 0 C-N-CA 123.032 0.533 . . . . 0.0 111.7 177.601 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 90.5 mt -60.82 -38.64 86.12 Favored 'General case' 0 C--O 1.241 0.621 0 CA-C-O 121.091 0.472 . . . . 0.0 110.327 179.037 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 36.8 mt -73.74 -50.96 26.56 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.053 0 CA-C-N 115.346 -0.843 . . . . 0.0 109.709 179.604 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 36.3 tt0 . . . . . 0 C--N 1.32 -0.684 0 C-N-CA 124.455 1.102 . . . . 0.0 111.692 -176.353 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 26.8 m . . . . . 0 N--CA 1.474 0.771 0 CA-C-O 121.142 0.496 . . . . 0.0 111.963 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 11.9 t -65.69 -26.51 67.81 Favored 'General case' 0 N--CA 1.442 -0.863 0 N-CA-C 109.652 -0.499 . . . . 0.0 109.652 177.471 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 5' ' ' LYS . . . . . 0.417 ' O ' ' HG3' ' A' ' 9' ' ' ARG . 55.3 mttm -72.76 -35.97 67.59 Favored 'General case' 0 CA--C 1.512 -0.51 0 C-N-CA 122.693 0.397 . . . . 0.0 110.46 179.415 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 40.0 tp -67.27 -44.98 77.99 Favored 'General case' 0 C--N 1.315 -0.92 0 N-CA-C 109.057 -0.72 . . . . 0.0 109.057 178.031 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 63.1 t30 -66.41 -31.52 72.32 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.675 -0.693 . . . . 0.0 110.084 177.853 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 29.5 t70 -62.02 -40.22 94.96 Favored 'General case' 0 C--O 1.239 0.548 0 CA-C-N 115.749 -0.659 . . . . 0.0 110.313 178.611 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 9' ' ' ARG . . . . . 0.437 ' O ' ' HG2' ' A' ' 13' ' ' LYS . 21.5 mtp180 -62.64 -41.92 99.31 Favored 'General case' 0 CA--C 1.516 -0.329 0 CA-C-N 115.387 -0.824 . . . . 0.0 109.654 177.152 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.409 HG22 ' HD2' ' A' ' 14' ' ' LYS . 68.7 mt -58.88 -53.36 48.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 N-CA-C 109.149 -0.685 . . . . 0.0 109.149 177.397 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 23.6 mm-40 -54.74 -42.02 71.1 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.726 -0.67 . . . . 0.0 112.201 -179.808 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -71.74 -31.71 66.96 Favored 'General case' 0 C--N 1.317 -0.833 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.407 -179.938 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.437 ' HG2' ' O ' ' A' ' 9' ' ' ARG . 28.5 mmtp -77.27 -32.63 55.68 Favored 'General case' 0 C--O 1.217 -0.641 0 C-N-CA 119.771 -0.772 . . . . 0.0 110.934 178.184 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.533 ' HG3' HD21 ' A' ' 38' ' ' LEU . 58.0 mtpt -59.53 -46.39 89.01 Favored 'General case' 0 C--N 1.325 -0.466 0 C-N-CA 122.821 0.448 . . . . 0.0 110.653 176.773 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.64 -26.94 64.65 Favored 'General case' 0 C--O 1.247 0.973 0 CA-C-O 121.36 0.6 . . . . 0.0 111.135 -179.584 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 16' ' ' GLU . . . . . 0.469 ' O ' ' HG ' ' A' ' 20' ' ' LEU . 35.4 tt0 -76.26 -44.46 37.15 Favored 'General case' 0 CA--C 1.501 -0.912 0 N-CA-C 107.949 -1.13 . . . . 0.0 107.949 -176.982 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.494 ' O ' HG23 ' A' ' 21' ' ' VAL . 20.3 mt -57.61 -45.29 85.52 Favored 'General case' 0 N--CA 1.431 -1.41 0 CA-C-N 114.915 -1.038 . . . . 0.0 112.583 177.292 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.461 HG13 ' O ' ' A' ' 14' ' ' LYS . 78.1 mt -56.47 -45.24 81.89 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.623 0 N-CA-C 109.892 -0.41 . . . . 0.0 109.892 178.592 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 72.8 t80 -64.73 -47.63 77.57 Favored 'General case' 0 C--O 1.246 0.885 0 CA-C-N 115.449 -0.796 . . . . 0.0 111.16 178.135 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.469 ' HG ' ' O ' ' A' ' 16' ' ' GLU . 92.2 mt -64.55 -41.52 96.28 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.928 -0.578 . . . . 0.0 112.181 -177.757 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.494 HG23 ' O ' ' A' ' 17' ' ' LEU . 69.6 t -57.19 -42.36 79.69 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.359 0 CA-C-O 121.034 0.445 . . . . 0.0 110.189 176.721 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 23.8 mm-40 -68.78 -40.7 79.54 Favored 'General case' 0 C--N 1.308 -1.236 0 N-CA-C 113.398 0.888 . . . . 0.0 113.398 179.715 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 38.9 ttpt -79.11 -45.17 20.58 Favored 'General case' 0 N--CA 1.417 -2.112 0 N-CA-C 112.495 0.554 . . . . 0.0 112.495 -177.942 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 96.7 m-85 -93.96 -38.39 11.2 Favored 'General case' 0 C--N 1.317 -0.815 0 N-CA-C 113.116 0.784 . . . . 0.0 113.116 -175.891 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 118.09 169.12 14.6 Favored Glycine 0 C--N 1.304 -1.242 0 N-CA-C 111.23 -0.748 . . . . 0.0 111.23 -177.383 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 95.8 m-85 -77.72 -34.67 52.57 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-O 121.005 0.431 . . . . 0.0 110.855 -178.637 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 27.7 p -84.66 -5.49 59.31 Favored 'General case' 0 C--N 1.311 -1.103 0 CA-C-N 115.697 -0.683 . . . . 0.0 112.621 -173.314 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 21.8 t60 -75.32 124.26 26.79 Favored 'General case' 0 N--CA 1.435 -1.195 0 N-CA-C 109.004 -0.739 . . . . 0.0 109.004 -175.517 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 17.0 t60 -58.1 -33.56 69.24 Favored 'General case' 0 N--CA 1.472 0.668 0 C-N-CA 123.522 0.729 . . . . 0.0 112.831 -171.296 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 47.3 mmtm -58.23 -45.34 87.88 Favored 'General case' 0 N--CA 1.469 0.517 0 C-N-CA 120.846 -0.341 . . . . 0.0 110.3 177.615 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 94.5 t -61.79 -41.55 91.06 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.642 0 CA-C-N 115.719 -0.673 . . . . 0.0 109.862 -178.949 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.429 ' O ' ' HG2' ' A' ' 36' ' ' GLN . 38.3 mm -61.21 -50.58 79.91 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.769 0 CA-C-N 115.246 -0.888 . . . . 0.0 108.776 177.613 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 38.1 t -53.49 -49.86 66.59 Favored 'General case' 0 C--N 1.316 -0.882 0 CA-C-N 114.955 -1.02 . . . . 0.0 111.738 178.615 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 34' ' ' PHE . . . . . 0.45 ' HB2' HD21 ' A' ' 17' ' ' LEU . 36.9 m-85 -64.13 -35.09 79.63 Favored 'General case' 0 C--O 1.241 0.625 0 CA-C-O 121.281 0.563 . . . . 0.0 110.424 179.621 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 29.8 t -69.3 -31.38 69.83 Favored 'General case' 0 CA--C 1.551 1.012 0 CA-C-N 115.417 -0.81 . . . . 0.0 110.885 179.122 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 36' ' ' GLN . . . . . 0.429 ' HG2' ' O ' ' A' ' 32' ' ' ILE . 30.8 mm-40 -63.86 -41.0 97.88 Favored 'General case' 0 C--O 1.242 0.686 0 N-CA-C 109.789 -0.449 . . . . 0.0 109.789 176.215 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 37' ' ' GLU . . . . . 0.474 ' O ' ' HG ' ' A' ' 41' ' ' LEU . 28.5 tt0 -66.18 -42.72 88.5 Favored 'General case' 0 C--O 1.222 -0.381 0 CA-C-N 115.443 -0.799 . . . . 0.0 109.486 178.357 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.533 HD21 ' HG3' ' A' ' 14' ' ' LYS . 3.4 tm? -55.54 -52.22 64.42 Favored 'General case' 0 C--O 1.239 0.536 0 CA-C-N 115.578 -0.737 . . . . 0.0 109.876 -179.773 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 22.6 t70 -60.53 -36.04 77.45 Favored 'General case' 0 C--N 1.318 -0.793 0 CA-C-N 115.47 -0.787 . . . . 0.0 111.179 179.231 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 40' ' ' ARG . . . . . 0.418 ' O ' ' HG ' ' A' ' 44' ' ' LEU . 42.6 ttm180 -67.25 -44.59 79.02 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.422 179.358 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.474 ' HG ' ' O ' ' A' ' 37' ' ' GLU . 93.5 mt -60.63 -43.11 97.89 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.87 -0.604 . . . . 0.0 110.426 178.76 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 51.3 tp -62.92 -42.07 99.67 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.75 -0.659 . . . . 0.0 109.88 177.555 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 21.8 t-20 -63.43 -30.15 71.32 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 115.246 -0.888 . . . . 0.0 111.055 -177.91 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.418 ' HG ' ' O ' ' A' ' 40' ' ' ARG . 96.1 mt -60.65 -46.99 88.24 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.889 177.121 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 98.6 mt -61.8 -43.83 98.06 Favored 'General case' 0 CA--C 1.514 -0.433 0 CA-C-O 121.311 0.576 . . . . 0.0 109.576 179.134 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 74.5 mt -62.1 -39.26 83.21 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.855 0 CA-C-N 115.004 -0.998 . . . . 0.0 110.48 179.839 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 32.3 tt0 . . . . . 0 C--N 1.322 -0.63 0 C-N-CA 122.579 0.352 . . . . 0.0 110.627 179.703 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 35.8 m . . . . . 0 C--O 1.236 0.389 0 CA-C-O 121.203 0.525 . . . . 0.0 111.21 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 8.5 t -65.4 -28.49 69.29 Favored 'General case' 0 CA--C 1.549 0.938 0 CA-C-N 115.943 -0.571 . . . . 0.0 111.882 -176.794 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 5' ' ' LYS . . . . . 0.459 ' O ' ' HG3' ' A' ' 9' ' ' ARG . 0.0 OUTLIER -72.82 -28.69 62.71 Favored 'General case' 0 C--O 1.22 -0.452 0 CA-C-O 121.741 0.781 . . . . 0.0 110.101 179.958 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.418 ' O ' HG13 ' A' ' 10' ' ' ILE . 36.6 tp -72.71 -42.0 64.64 Favored 'General case' 0 N--CA 1.442 -0.875 0 CA-C-N 115.168 -0.924 . . . . 0.0 108.602 178.438 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 8.5 t30 -66.67 -31.72 72.57 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.546 -0.752 . . . . 0.0 110.082 179.533 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 14.6 t70 -66.82 -41.1 88.03 Favored 'General case' 0 N--CA 1.473 0.705 0 CA-C-N 115.569 -0.742 . . . . 0.0 110.07 175.697 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 9' ' ' ARG . . . . . 0.459 ' HG3' ' O ' ' A' ' 5' ' ' LYS . 77.1 mtp180 -67.16 -35.73 80.3 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.351 178.044 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.418 HG13 ' O ' ' A' ' 6' ' ' LEU . 70.1 mt -58.29 -40.91 79.67 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.751 0 N-CA-C 109.475 -0.565 . . . . 0.0 109.475 174.54 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 11' ' ' GLU . . . . . 0.488 ' HA ' ' HD3' ' A' ' 14' ' ' LYS . 5.6 tp10 -58.77 -42.55 89.23 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.316 -178.379 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -69.05 -34.01 74.51 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.894 179.549 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 32.6 mmmt -75.37 -35.57 61.07 Favored 'General case' 0 C--N 1.318 -0.803 0 CA-C-N 115.994 -0.548 . . . . 0.0 111.231 179.914 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.488 ' HD3' ' HA ' ' A' ' 11' ' ' GLU . 50.1 mtpt -60.14 -53.28 59.64 Favored 'General case' 0 C--N 1.327 -0.376 0 C-N-CA 122.946 0.498 . . . . 0.0 110.197 177.012 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 57.0 mtpt -62.17 -39.44 92.65 Favored 'General case' 0 C--O 1.243 0.713 0 CA-C-N 115.861 -0.609 . . . . 0.0 111.014 -178.171 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 16' ' ' GLU . . . . . 0.446 ' O ' ' HG ' ' A' ' 20' ' ' LEU . 44.0 tt0 -61.71 -49.32 76.94 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.417 -0.81 . . . . 0.0 110.043 177.942 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.508 ' O ' HG23 ' A' ' 21' ' ' VAL . 56.9 tp -62.01 -45.96 91.31 Favored 'General case' 0 N--CA 1.443 -0.817 0 CA-C-N 115.779 -0.646 . . . . 0.0 110.7 -179.367 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.457 HG13 ' O ' ' A' ' 14' ' ' LYS . 88.3 mt -54.1 -45.76 66.02 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.864 0 O-C-N 123.293 0.371 . . . . 0.0 110.533 178.723 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 86.9 t80 -60.47 -43.37 96.99 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.209 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.446 ' HG ' ' O ' ' A' ' 16' ' ' GLU . 68.0 mt -72.17 -34.54 68.54 Favored 'General case' 0 C--N 1.31 -1.126 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.815 -178.343 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.508 HG23 ' O ' ' A' ' 17' ' ' LEU . 79.3 t -66.39 -36.99 78.68 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.832 0 N-CA-C 109.53 -0.544 . . . . 0.0 109.53 176.717 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 11.0 mm-40 -68.8 -49.32 59.51 Favored 'General case' 0 C--N 1.317 -0.828 0 N-CA-C 112.741 0.645 . . . . 0.0 112.741 175.814 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 75.2 mmtt -82.0 -48.53 11.33 Favored 'General case' 0 C--N 1.319 -0.744 0 N-CA-C 113.328 0.862 . . . . 0.0 113.328 -174.227 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 24.7 m-85 -87.96 -45.82 9.9 Favored 'General case' 0 C--N 1.31 -1.124 0 CA-C-O 121.558 0.694 . . . . 0.0 110.13 -176.884 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 109.44 168.52 20.3 Favored Glycine 0 N--CA 1.434 -1.482 0 CA-C-N 115.327 -0.851 . . . . 0.0 111.4 -179.919 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 37.3 p90 -85.33 166.43 16.46 Favored 'General case' 0 C--N 1.302 -1.459 0 O-C-N 122.93 -0.159 . . . . 0.0 110.715 -179.598 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 5.1 m 64.64 25.84 13.13 Favored 'General case' 0 CA--C 1.565 1.552 0 CA-C-O 122.577 1.18 . . . . 0.0 110.803 -179.654 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 61.2 t60 -105.76 137.17 44.08 Favored 'General case' 0 C--N 1.316 -0.884 0 N-CA-C 107.0 -1.481 . . . . 0.0 107.0 176.045 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 58.5 m80 -50.35 -45.26 54.94 Favored 'General case' 0 N--CA 1.491 1.606 0 N-CA-C 114.292 1.219 . . . . 0.0 114.292 -173.635 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 67.6 mttm -61.41 -52.39 64.76 Favored 'General case' 0 C--N 1.33 -0.266 0 N-CA-C 109.503 -0.554 . . . . 0.0 109.503 178.36 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 92.1 t -56.86 -40.1 69.24 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.637 0 CA-C-N 115.511 -0.768 . . . . 0.0 111.448 -178.457 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 79.3 mt -62.04 -42.49 95.15 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.628 0 CA-C-O 120.953 0.406 . . . . 0.0 110.212 177.391 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 27.7 m -63.33 -42.04 98.94 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.969 179.135 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 34' ' ' PHE . . . . . 0.436 ' HB2' HD13 ' A' ' 17' ' ' LEU . 89.8 m-85 -65.97 -37.54 86.24 Favored 'General case' 0 C--O 1.223 -0.326 0 CA-C-O 120.691 0.281 . . . . 0.0 110.872 177.079 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 43.4 m -62.93 -38.44 91.01 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-O 121.152 0.501 . . . . 0.0 110.015 178.259 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 51.6 mt-30 -63.92 -36.28 83.43 Favored 'General case' 0 N--CA 1.454 -0.249 0 CA-C-N 115.693 -0.685 . . . . 0.0 110.33 175.377 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 41.0 mt-10 -62.65 -50.59 70.6 Favored 'General case' 0 C--O 1.219 -0.521 0 N-CA-C 110.399 -0.223 . . . . 0.0 110.399 176.615 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -57.39 -48.3 79.42 Favored 'General case' 0 CA--C 1.514 -0.41 0 N-CA-C 112.563 0.579 . . . . 0.0 112.563 -179.816 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 25.8 t70 -59.52 -46.07 89.91 Favored 'General case' 0 C--O 1.242 0.667 0 O-C-N 123.511 0.507 . . . . 0.0 111.556 179.91 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 40' ' ' ARG . . . . . 0.545 ' O ' ' HG ' ' A' ' 44' ' ' LEU . 90.6 mtm180 -66.82 -46.16 76.02 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-N 115.977 -0.556 . . . . 0.0 111.903 -179.226 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 10.9 mp -63.6 -41.38 98.34 Favored 'General case' 0 C--O 1.219 -0.524 0 N-CA-C 111.695 0.257 . . . . 0.0 111.695 179.159 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 66.5 tp -58.71 -45.99 88.33 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 121.525 0.678 . . . . 0.0 110.083 176.709 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 33.2 m-80 -70.73 -16.95 62.82 Favored 'General case' 0 C--N 1.317 -0.812 0 N-CA-C 113.198 0.814 . . . . 0.0 113.198 -179.602 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.545 ' HG ' ' O ' ' A' ' 40' ' ' ARG . 69.1 mt -65.44 -32.19 73.69 Favored 'General case' 0 C--N 1.322 -0.623 0 N-CA-C 111.562 0.208 . . . . 0.0 111.562 176.595 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 7.0 mp -68.61 -37.04 79.46 Favored 'General case' 0 C--O 1.242 0.707 0 CA-C-O 121.478 0.656 . . . . 0.0 109.665 177.074 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 2.0 mp -71.15 -38.07 69.34 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.815 0 CA-C-N 114.831 -1.077 . . . . 0.0 109.476 178.268 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 47' ' ' GLU . . . . . 0.486 ' HB3' ' O ' ' A' ' 44' ' ' LEU . 20.5 tp10 . . . . . 0 C--N 1.325 -0.482 0 C-N-CA 125.569 1.548 . . . . 0.0 111.58 -179.111 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 27.3 m . . . . . 0 N--CA 1.473 0.69 0 CA-C-O 121.405 0.621 . . . . 0.0 112.59 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 13.8 t -60.58 -26.75 67.19 Favored 'General case' 0 CA--C 1.559 1.325 0 CA-C-N 115.855 -0.611 . . . . 0.0 112.205 -176.64 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 22.7 pttp -64.57 -37.3 87.09 Favored 'General case' 0 N--CA 1.466 0.363 0 CA-C-O 120.619 0.247 . . . . 0.0 111.274 177.629 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.506 ' O ' HG13 ' A' ' 10' ' ' ILE . 51.5 tp -69.84 -43.07 72.72 Favored 'General case' 0 N--CA 1.446 -0.654 0 N-CA-C 109.046 -0.724 . . . . 0.0 109.046 -178.861 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 25.7 t-20 -56.83 -40.61 76.37 Favored 'General case' 0 C--O 1.238 0.463 0 CA-C-N 115.144 -0.935 . . . . 0.0 110.562 179.448 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 23.4 t70 -70.56 -42.54 70.98 Favored 'General case' 0 N--CA 1.47 0.542 0 CA-C-N 115.308 -0.86 . . . . 0.0 111.829 -179.557 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -65.28 -29.75 70.54 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.517 -179.567 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.506 HG13 ' O ' ' A' ' 6' ' ' LEU . 99.6 mt -63.35 -52.84 53.25 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 N-CA-C 109.099 -0.704 . . . . 0.0 109.099 173.906 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 11' ' ' GLU . . . . . 0.419 ' O ' ' HG3' ' A' ' 15' ' ' LYS . 45.8 mm-40 -59.56 -41.97 91.37 Favored 'General case' 0 CA--C 1.508 -0.67 0 CA-C-N 115.936 -0.575 . . . . 0.0 111.903 -178.593 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -62.15 -37.62 85.89 Favored 'General case' 0 C--N 1.311 -1.104 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.887 177.467 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.409 ' HE3' ' HA ' ' A' ' 13' ' ' LYS . 2.2 tpmt? -68.82 -44.1 74.22 Favored 'General case' 0 N--CA 1.463 0.201 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.22 -177.885 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.499 ' O ' HG13 ' A' ' 18' ' ' ILE . 8.4 ptmm? -70.03 -33.43 71.98 Favored 'General case' 0 C--N 1.318 -0.789 0 N-CA-C 112.436 0.532 . . . . 0.0 112.436 179.318 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 15' ' ' LYS . . . . . 0.419 ' HG3' ' O ' ' A' ' 11' ' ' GLU . 55.2 mtpt -65.47 -40.69 93.45 Favored 'General case' 0 C--O 1.242 0.673 0 C-N-CA 120.648 -0.421 . . . . 0.0 110.325 175.602 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 16' ' ' GLU . . . . . 0.423 ' O ' ' HG ' ' A' ' 20' ' ' LEU . 17.5 tp10 -60.95 -47.12 87.91 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 108.398 -0.964 . . . . 0.0 108.398 175.468 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.508 ' O ' HG23 ' A' ' 21' ' ' VAL . 47.6 tp -60.09 -42.08 93.85 Favored 'General case' 0 C--O 1.221 -0.403 0 CA-C-N 115.381 -0.827 . . . . 0.0 111.772 -179.31 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.499 HG13 ' O ' ' A' ' 14' ' ' LYS . 77.9 mt -53.77 -46.73 63.02 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.903 0 CA-C-O 121.249 0.547 . . . . 0.0 110.164 177.154 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 74.0 t80 -67.98 -39.06 83.38 Favored 'General case' 0 C--N 1.313 -1.017 0 CA-C-N 114.85 -1.068 . . . . 0.0 110.327 -179.311 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.423 ' HG ' ' O ' ' A' ' 16' ' ' GLU . 96.0 mt -65.71 -34.65 78.68 Favored 'General case' 0 C--N 1.314 -0.95 0 CA-C-N 115.937 -0.574 . . . . 0.0 112.0 179.141 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.508 HG23 ' O ' ' A' ' 17' ' ' LEU . 54.7 t -66.86 -33.14 61.47 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.802 0 CA-C-O 121.561 0.696 . . . . 0.0 109.27 175.575 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -68.84 -37.76 79.37 Favored 'General case' 0 C--N 1.3 -1.558 0 O-C-N 121.689 -0.632 . . . . 0.0 111.545 175.723 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 32.0 mmmt -82.05 -48.38 11.46 Favored 'General case' 0 C--N 1.321 -0.672 0 N-CA-C 112.773 0.657 . . . . 0.0 112.773 -177.187 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 59.8 m-85 -90.7 -47.29 7.74 Favored 'General case' 0 C--N 1.313 -1.004 0 CA-C-O 121.247 0.546 . . . . 0.0 110.405 -179.532 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 25' ' ' GLY . . . . . 0.489 ' HA2' ' O ' ' A' ' 21' ' ' VAL . . . 98.56 -123.63 7.94 Favored Glycine 0 C--N 1.293 -1.853 0 CA-C-N 115.736 -0.665 . . . . 0.0 111.735 -178.601 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 72.5 m-85 -119.31 -178.18 3.53 Favored 'General case' 0 C--N 1.292 -1.916 0 N-CA-C 108.241 -1.022 . . . . 0.0 108.241 -178.637 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 77.7 p 57.13 13.07 1.47 Allowed 'General case' 0 N--CA 1.476 0.851 0 C-N-CA 125.764 1.626 . . . . 0.0 114.12 -178.608 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 47.4 m80 -102.66 117.52 34.84 Favored 'General case' 0 CA--C 1.486 -1.484 0 O-C-N 122.223 -0.298 . . . . 0.0 110.736 -177.847 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 63.7 m80 -60.85 -26.33 67.3 Favored 'General case' 0 C--N 1.316 -0.884 0 CA-C-N 115.567 -0.742 . . . . 0.0 111.492 179.789 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 46.2 mtpt -60.97 -49.14 78.66 Favored 'General case' 0 C--O 1.216 -0.679 0 N-CA-C 109.561 -0.533 . . . . 0.0 109.561 174.655 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 59.6 t -66.37 -38.69 82.34 Favored 'Isoleucine or valine' 0 C--O 1.24 0.568 0 CA-C-N 115.97 -0.559 . . . . 0.0 109.821 -178.713 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 70.2 mt -60.3 -44.69 96.31 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.636 0 CA-C-N 115.745 -0.661 . . . . 0.0 110.582 177.591 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 11.3 p -70.27 -36.38 74.39 Favored 'General case' 0 N--CA 1.446 -0.63 0 N-CA-C 112.132 0.419 . . . . 0.0 112.132 178.737 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 25.6 m-85 -64.2 -37.01 85.94 Favored 'General case' 0 N--CA 1.471 0.599 0 CA-C-O 120.914 0.388 . . . . 0.0 110.113 176.295 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 58.8 m -63.45 -43.08 98.39 Favored 'General case' 0 N--CA 1.447 -0.592 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.347 176.911 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 52.0 mt-30 -64.24 -32.05 73.48 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.079 -0.51 . . . . 0.0 111.089 179.017 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 37' ' ' GLU . . . . . 0.47 ' O ' ' HG ' ' A' ' 41' ' ' LEU . 20.3 mm-40 -69.32 -50.03 50.33 Favored 'General case' 0 C--N 1.32 -0.701 0 N-CA-C 110.065 -0.346 . . . . 0.0 110.065 174.967 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -59.58 -48.19 82.61 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.914 -179.074 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 34.5 t70 -60.39 -40.97 92.8 Favored 'General case' 0 C--N 1.318 -0.802 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.841 -178.81 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 40' ' ' ARG . . . . . 0.474 ' O ' ' HG ' ' A' ' 44' ' ' LEU . 30.8 tpt180 -69.32 -38.36 78.19 Favored 'General case' 0 CA--C 1.537 0.444 0 CA-C-N 116.41 -0.359 . . . . 0.0 111.09 178.021 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.47 ' HG ' ' O ' ' A' ' 37' ' ' GLU . 94.8 mt -62.12 -43.44 98.82 Favored 'General case' 0 N--CA 1.468 0.474 0 CA-C-O 120.742 0.306 . . . . 0.0 110.26 177.426 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.4 ' HA ' HD13 ' A' ' 10' ' ' ILE . 56.6 tp -63.64 -41.17 98.27 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 121.866 0.841 . . . . 0.0 109.509 176.582 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 20.3 t-20 -65.73 -27.03 68.02 Favored 'General case' 0 C--N 1.308 -1.215 0 CA-C-N 114.512 -1.222 . . . . 0.0 111.317 -178.613 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.474 ' HG ' ' O ' ' A' ' 40' ' ' ARG . 84.4 mt -59.44 -37.01 77.01 Favored 'General case' 0 N--CA 1.466 0.346 0 C-N-CA 122.594 0.358 . . . . 0.0 111.283 177.672 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 90.6 mt -63.65 -50.91 67.42 Favored 'General case' 0 CA--C 1.513 -0.475 0 N-CA-C 108.999 -0.741 . . . . 0.0 108.999 177.947 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 67.5 mt -58.69 -49.63 81.96 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.673 0 CA-C-N 114.729 -1.123 . . . . 0.0 110.11 -178.976 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 43.2 tt0 . . . . . 0 C--N 1.321 -0.651 0 CA-C-N 115.704 -0.68 . . . . 0.0 110.709 179.192 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 29.5 m . . . . . 0 CA--C 1.541 0.607 0 N-CA-C 112.973 0.731 . . . . 0.0 112.973 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 11.9 t -59.39 -28.91 67.31 Favored 'General case' 0 C--N 1.313 -1.012 0 O-C-N 122.218 -0.301 . . . . 0.0 111.613 178.685 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 15.3 ptmm? -67.81 -28.65 67.76 Favored 'General case' 0 N--CA 1.47 0.558 0 CA-C-O 121.478 0.656 . . . . 0.0 110.508 179.65 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.436 ' O ' HG13 ' A' ' 10' ' ' ILE . 30.2 tp -75.55 -31.37 60.03 Favored 'General case' 0 N--CA 1.441 -0.915 0 N-CA-C 108.336 -0.987 . . . . 0.0 108.336 178.389 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 32.6 m-80 -68.54 -33.08 73.48 Favored 'General case' 0 CA--C 1.508 -0.668 0 CA-C-N 115.486 -0.779 . . . . 0.0 110.329 177.062 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 16.5 t70 -58.15 -43.25 87.27 Favored 'General case' 0 C--O 1.239 0.537 0 N-CA-C 108.707 -0.849 . . . . 0.0 108.707 174.673 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 9' ' ' ARG . . . . . 0.438 ' O ' ' HG2' ' A' ' 13' ' ' LYS . 96.9 mtt180 -65.46 -42.96 91.76 Favored 'General case' 0 C--O 1.205 -1.262 0 CA-C-N 115.29 -0.868 . . . . 0.0 111.27 175.115 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.436 HG13 ' O ' ' A' ' 6' ' ' LEU . 68.3 mt -55.31 -53.39 35.89 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.594 0 O-C-N 123.18 0.3 . . . . 0.0 110.469 179.85 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 65.1 mm-40 -56.32 -43.85 79.38 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 123.603 0.565 . . . . 0.0 110.954 177.166 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -64.26 -38.47 91.16 Favored 'General case' 0 C--N 1.315 -0.906 0 CA-C-N 115.778 -0.646 . . . . 0.0 111.544 -179.56 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.448 ' HG3' HD11 ' A' ' 41' ' ' LEU . 3.6 mmmp? -74.98 -30.7 61.26 Favored 'General case' 0 C--O 1.215 -0.723 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.537 -177.996 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.443 ' O ' HG13 ' A' ' 18' ' ' ILE . 26.9 mtpp -66.55 -45.85 78.03 Favored 'General case' 0 C--N 1.318 -0.799 0 CA-C-N 116.171 -0.468 . . . . 0.0 109.976 174.474 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 60.7 mtpt -64.19 -37.2 86.6 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 121.343 0.592 . . . . 0.0 110.016 177.338 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 36.0 tt0 -62.86 -46.91 85.67 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 115.404 -0.817 . . . . 0.0 109.354 175.471 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.455 ' O ' HG23 ' A' ' 21' ' ' VAL . 1.2 tt -59.15 -45.91 89.73 Favored 'General case' 0 C--N 1.324 -0.52 0 C-N-CA 123.896 0.878 . . . . 0.0 109.526 -178.853 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.443 HG13 ' O ' ' A' ' 14' ' ' LYS . 82.3 mt -57.13 -47.55 83.68 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.63 0 CA-C-O 120.897 0.38 . . . . 0.0 110.052 177.625 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 73.1 t80 -59.78 -43.66 94.26 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.75 -0.659 . . . . 0.0 110.373 177.18 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 95.6 mt -61.86 -40.44 95.35 Favored 'General case' 0 C--N 1.316 -0.886 0 CA-C-N 115.862 -0.608 . . . . 0.0 111.675 178.632 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.455 HG23 ' O ' ' A' ' 17' ' ' LEU . 77.6 t -63.14 -40.55 89.48 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.564 0 N-CA-C 109.734 -0.469 . . . . 0.0 109.734 176.595 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 57.0 mm-40 -61.2 -35.27 76.71 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.035 -0.529 . . . . 0.0 111.537 176.997 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 13.6 mmmm -81.79 -48.72 11.25 Favored 'General case' 0 C--N 1.314 -0.945 0 CA-C-O 120.868 0.366 . . . . 0.0 111.132 -178.484 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 24' ' ' TYR . . . . . 0.463 ' HB3' ' NE2' ' A' ' 28' ' ' HIS . 68.5 m-85 -77.39 -43.39 32.85 Favored 'General case' 0 C--N 1.306 -1.308 0 N-CA-C 113.33 0.863 . . . . 0.0 113.33 -174.505 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 128.94 -97.04 0.41 Allowed Glycine 0 N--CA 1.433 -1.52 0 C-N-CA 120.294 -0.955 . . . . 0.0 113.168 177.716 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 78.3 m-85 -117.99 -173.87 2.53 Favored 'General case' 0 C--N 1.3 -1.585 0 O-C-N 122.526 -0.396 . . . . 0.0 111.581 -177.055 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 1.8 m -79.7 68.78 5.86 Favored 'General case' 0 N--CA 1.432 -1.338 0 CA-C-O 121.695 0.76 . . . . 0.0 112.64 -170.582 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 28' ' ' HIS . . . . . 0.559 ' O ' HG12 ' A' ' 32' ' ' ILE . 2.0 p-80 -92.03 -176.86 4.53 Favored 'General case' 0 C--N 1.293 -1.869 0 CA-C-N 115.14 -0.936 . . . . 0.0 109.542 173.754 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 70.9 t60 -52.72 -40.36 62.94 Favored 'General case' 0 C--O 1.248 0.979 0 N-CA-C 113.583 0.957 . . . . 0.0 113.583 -174.066 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 49.6 mmtm -55.53 -52.76 62.64 Favored 'General case' 0 N--CA 1.47 0.527 0 N-CA-C 110.099 -0.334 . . . . 0.0 110.099 177.305 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 72.0 t -64.14 -36.69 77.77 Favored 'Isoleucine or valine' 0 C--O 1.241 0.616 0 CA-C-N 115.775 -0.648 . . . . 0.0 111.249 -178.173 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.559 HG12 ' O ' ' A' ' 28' ' ' HIS . 42.4 mm -58.79 -50.86 77.86 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.856 0 N-CA-C 108.744 -0.836 . . . . 0.0 108.744 177.009 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 35.6 m -58.22 -41.01 83.15 Favored 'General case' 0 C--N 1.308 -1.223 0 CA-C-N 114.472 -1.24 . . . . 0.0 112.029 179.361 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 19.6 m-85 -68.94 -32.28 71.78 Favored 'General case' 0 C--O 1.239 0.546 0 CA-C-O 121.198 0.523 . . . . 0.0 110.238 179.79 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 35' ' ' SER . . . . . 0.445 ' HA ' HD11 ' A' ' 17' ' ' LEU . 27.8 m -71.92 -41.7 67.58 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-N 115.659 -0.7 . . . . 0.0 110.34 179.395 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 80.4 mt-30 -66.42 -31.46 72.23 Favored 'General case' 0 N--CA 1.463 0.187 0 CA-C-N 116.472 -0.331 . . . . 0.0 111.174 177.927 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 37' ' ' GLU . . . . . 0.478 ' O ' ' HG ' ' A' ' 41' ' ' LEU . 8.0 tp10 -60.42 -38.97 85.73 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 109.056 -0.72 . . . . 0.0 109.056 175.788 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.419 HD21 ' HG3' ' A' ' 14' ' ' LYS . 3.0 tm? -69.99 -43.57 71.17 Favored 'General case' 0 N--CA 1.438 -1.041 0 CA-C-N 115.455 -0.793 . . . . 0.0 109.875 -177.844 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 36.2 m-20 -62.75 -34.96 78.28 Favored 'General case' 0 N--CA 1.472 0.653 0 CA-C-O 120.89 0.376 . . . . 0.0 110.5 177.491 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 40.2 ttm180 -61.45 -40.3 93.98 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.516 -0.765 . . . . 0.0 110.334 176.834 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.478 ' HG ' ' O ' ' A' ' 37' ' ' GLU . 89.4 mt -65.63 -35.16 79.98 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-O 121.037 0.446 . . . . 0.0 110.377 178.702 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 67.0 tp -65.72 -41.52 92.16 Favored 'General case' 0 C--N 1.32 -0.707 0 N-CA-C 108.835 -0.802 . . . . 0.0 108.835 175.571 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 14.9 m120 -61.19 -30.5 70.46 Favored 'General case' 0 N--CA 1.471 0.615 0 CA-C-N 115.536 -0.757 . . . . 0.0 110.543 177.112 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.437 ' O ' ' HB3' ' A' ' 47' ' ' GLU . 82.3 mt -68.25 -31.36 70.79 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.536 178.042 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 95.3 mt -71.18 -35.88 71.75 Favored 'General case' 0 N--CA 1.472 0.649 0 CA-C-O 121.959 0.885 . . . . 0.0 109.201 174.773 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 76.5 mt -69.68 -26.16 30.13 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.867 0 CA-C-N 114.772 -1.104 . . . . 0.0 110.413 179.077 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 47' ' ' GLU . . . . . 0.437 ' HB3' ' O ' ' A' ' 44' ' ' LEU . 9.5 tp10 . . . . . 0 CA--C 1.545 0.787 0 C-N-CA 123.868 0.867 . . . . 0.0 110.866 178.085 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 31.1 m . . . . . 0 C--O 1.236 0.374 0 N-CA-C 112.935 0.717 . . . . 0.0 112.935 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 13.3 t -67.78 -40.0 84.03 Favored 'General case' 0 N--CA 1.438 -1.056 0 C-N-CA 120.328 -0.549 . . . . 0.0 110.462 -179.648 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 5' ' ' LYS . . . . . 0.405 ' HD2' ' HA ' ' A' ' 5' ' ' LYS . 28.9 mmmt -78.16 -27.64 48.12 Favored 'General case' 0 CA--C 1.506 -0.726 0 O-C-N 122.237 -0.289 . . . . 0.0 111.515 178.03 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.467 ' O ' HG13 ' A' ' 10' ' ' ILE . 29.4 tp -64.74 -49.34 71.17 Favored 'General case' 0 C--N 1.315 -0.909 0 N-CA-C 109.358 -0.608 . . . . 0.0 109.358 176.475 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 2.7 t-20 -61.55 -39.94 92.93 Favored 'General case' 0 C--O 1.238 0.488 0 CA-C-O 121.36 0.6 . . . . 0.0 109.825 177.552 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 25.8 t70 -61.08 -45.95 92.63 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-N 114.983 -1.008 . . . . 0.0 111.7 177.609 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 9' ' ' ARG . . . . . 0.454 ' O ' ' HG2' ' A' ' 13' ' ' LYS . 7.7 ptm180 -70.04 -26.77 64.19 Favored 'General case' 0 C--O 1.224 -0.284 0 C-N-CA 120.729 -0.388 . . . . 0.0 110.751 -179.212 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.467 HG13 ' O ' ' A' ' 6' ' ' LEU . 72.2 mt -64.05 -42.04 94.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 CA-C-O 120.889 0.376 . . . . 0.0 110.098 175.432 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 35.8 tt0 -62.8 -38.35 90.32 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-O 121.629 0.728 . . . . 0.0 109.224 178.139 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -66.87 -27.55 67.61 Favored 'General case' 0 C--N 1.317 -0.827 0 CA-C-N 115.038 -0.983 . . . . 0.0 111.136 178.651 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.454 ' HG2' ' O ' ' A' ' 9' ' ' ARG . 32.1 mmmt -72.5 -38.49 68.11 Favored 'General case' 0 CA--C 1.501 -0.916 0 N-CA-C 109.088 -0.708 . . . . 0.0 109.088 179.137 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.589 ' O ' HG13 ' A' ' 18' ' ' ILE . 63.4 mttm -59.7 -42.99 94.25 Favored 'General case' 0 C--N 1.312 -1.062 0 CA-C-N 115.397 -0.82 . . . . 0.0 110.655 177.754 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 14.3 mmmm -67.31 -27.67 67.35 Favored 'General case' 0 C--O 1.246 0.917 0 CA-C-O 121.435 0.636 . . . . 0.0 111.019 -179.107 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 16' ' ' GLU . . . . . 0.53 ' O ' ' HG ' ' A' ' 20' ' ' LEU . 41.1 tt0 -71.9 -48.96 41.89 Favored 'General case' 0 C--N 1.31 -1.14 0 N-CA-C 107.455 -1.313 . . . . 0.0 107.455 179.671 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.414 ' O ' HG23 ' A' ' 21' ' ' VAL . 3.8 mm? -59.99 -46.64 88.8 Favored 'General case' 0 N--CA 1.443 -0.778 0 CA-C-N 114.494 -1.23 . . . . 0.0 112.421 177.352 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.589 HG13 ' O ' ' A' ' 14' ' ' LYS . 78.8 mt -53.13 -44.78 52.68 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.719 0 CA-C-O 120.778 0.323 . . . . 0.0 110.76 179.578 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 63.0 t80 -63.22 -46.03 88.88 Favored 'General case' 0 C--O 1.239 0.528 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.932 177.302 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.53 ' HG ' ' O ' ' A' ' 16' ' ' GLU . 87.0 mt -66.97 -39.04 87.13 Favored 'General case' 0 C--N 1.311 -1.084 0 CA-C-N 115.892 -0.594 . . . . 0.0 112.109 -176.206 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.414 HG23 ' O ' ' A' ' 17' ' ' LEU . 88.2 t -64.03 -36.1 75.74 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.671 0 CA-C-O 121.084 0.469 . . . . 0.0 110.643 178.78 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 53.7 mm-40 -68.85 -41.15 78.85 Favored 'General case' 0 C--N 1.314 -0.96 0 CA-C-O 121.107 0.48 . . . . 0.0 111.399 176.939 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 32.5 mmmt -82.53 -47.88 11.66 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 113.699 1.0 . . . . 0.0 113.699 -175.409 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 75.4 m-85 -104.02 -40.37 6.22 Favored 'General case' 0 C--N 1.308 -1.233 0 CA-C-O 121.418 0.628 . . . . 0.0 110.563 -175.36 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 116.02 -160.55 13.29 Favored Glycine 0 N--CA 1.428 -1.877 0 N-CA-C 110.396 -1.081 . . . . 0.0 110.396 -176.236 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 47.2 p90 -104.34 -5.47 21.74 Favored 'General case' 0 C--N 1.305 -1.329 0 CA-C-O 121.432 0.634 . . . . 0.0 110.077 179.791 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 27.6 m -113.18 80.96 1.42 Allowed 'General case' 0 N--CA 1.417 -2.076 0 CA-C-O 121.483 0.658 . . . . 0.0 109.302 179.721 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 28' ' ' HIS . . . . . 0.419 ' O ' HG22 ' A' ' 31' ' ' VAL . 38.2 t-80 -157.65 141.51 15.84 Favored 'General case' 0 C--N 1.307 -1.257 0 N-CA-C 105.519 -2.03 . . . . 0.0 105.519 175.218 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 11.4 t-80 -63.16 -33.6 75.81 Favored 'General case' 0 C--N 1.326 -0.431 0 C-N-CA 119.328 -0.949 . . . . 0.0 112.115 -174.727 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 44.0 mmtm -50.72 -58.69 5.28 Favored 'General case' 0 N--CA 1.468 0.427 0 O-C-N 123.244 0.34 . . . . 0.0 110.979 174.027 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.439 HG12 ' HB3' ' A' ' 20' ' ' LEU . 22.4 m -62.16 -36.39 74.09 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.261 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.927 -175.684 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 72.6 mt -67.76 -38.29 80.0 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.728 0 CA-C-O 121.19 0.519 . . . . 0.0 109.998 178.875 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 49.2 m -65.92 -45.46 81.84 Favored 'General case' 0 C--N 1.315 -0.917 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.308 178.716 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 61.0 m-85 -68.55 -33.96 75.01 Favored 'General case' 0 CA--C 1.534 0.359 0 CA-C-O 120.728 0.299 . . . . 0.0 110.843 179.059 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 60.1 m -64.27 -36.4 83.97 Favored 'General case' 0 CA--C 1.534 0.331 0 CA-C-O 120.662 0.268 . . . . 0.0 110.561 177.231 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 51.8 mt-30 -63.52 -34.56 78.05 Favored 'General case' 0 C--O 1.235 0.323 0 CA-C-N 116.473 -0.331 . . . . 0.0 111.04 176.217 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -69.5 -44.54 70.86 Favored 'General case' 0 C--O 1.213 -0.857 0 N-CA-C 109.507 -0.553 . . . . 0.0 109.507 176.926 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -56.45 -47.95 78.06 Favored 'General case' 0 N--CA 1.467 0.412 0 N-CA-C 108.78 -0.822 . . . . 0.0 108.78 178.611 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 16.1 t70 -57.51 -49.3 76.77 Favored 'General case' 0 C--N 1.318 -0.775 0 C-N-CA 124.402 1.081 . . . . 0.0 110.924 177.927 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 40' ' ' ARG . . . . . 0.441 ' O ' ' HG ' ' A' ' 44' ' ' LEU . 38.4 ttm180 -64.58 -46.51 82.4 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 115.15 -0.932 . . . . 0.0 110.804 -177.097 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 10.5 mp -66.99 -36.06 81.34 Favored 'General case' 0 C--N 1.316 -0.851 0 CA-C-N 116.161 -0.472 . . . . 0.0 112.123 -178.973 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 40.5 tp -61.52 -43.87 98.08 Favored 'General case' 0 C--O 1.244 0.793 0 CA-C-O 121.555 0.693 . . . . 0.0 109.277 175.789 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 61.6 t30 -62.77 -36.1 81.97 Favored 'General case' 0 C--N 1.317 -0.805 0 CA-C-N 114.828 -1.078 . . . . 0.0 110.448 179.706 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.441 ' HG ' ' O ' ' A' ' 40' ' ' ARG . 86.0 mt -58.78 -42.65 89.5 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.02 -0.536 . . . . 0.0 111.155 177.214 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 67.8 mt -59.85 -42.9 94.65 Favored 'General case' 0 CA--C 1.51 -0.566 0 CA-C-O 120.788 0.328 . . . . 0.0 110.63 177.494 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 71.0 mt -59.4 -50.73 78.8 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.5 0 CA-C-N 115.555 -0.748 . . . . 0.0 109.983 179.911 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 50.0 mt-10 . . . . . 0 C--N 1.321 -0.646 0 N-CA-C 112.663 0.616 . . . . 0.0 112.663 -179.696 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 30.6 m . . . . . 0 CA--C 1.515 -0.376 0 CA-C-O 120.739 0.304 . . . . 0.0 110.637 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 13.5 t -69.25 -39.36 78.51 Favored 'General case' 0 N--CA 1.432 -1.337 0 N-CA-C 109.39 -0.596 . . . . 0.0 109.39 179.077 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 34.4 mmtp -79.38 -29.71 42.21 Favored 'General case' 0 N--CA 1.441 -0.924 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.578 -179.124 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.451 HD23 HD23 ' A' ' 45' ' ' LEU . 24.0 tp -69.54 -40.8 76.64 Favored 'General case' 0 N--CA 1.44 -0.952 0 N-CA-C 108.619 -0.882 . . . . 0.0 108.619 176.613 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 2.7 t-20 -63.13 -39.48 94.8 Favored 'General case' 0 N--CA 1.464 0.272 0 CA-C-N 115.791 -0.64 . . . . 0.0 109.313 175.747 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 25.5 t70 -59.67 -37.48 78.86 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.406 -0.816 . . . . 0.0 111.434 176.04 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 80.2 mtp180 -67.16 -43.21 82.83 Favored 'General case' 0 N--CA 1.467 0.386 0 CA-C-O 121.009 0.433 . . . . 0.0 110.142 176.743 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 80.8 mt -60.12 -44.29 94.8 Favored 'Isoleucine or valine' 0 C--O 1.239 0.547 0 CA-C-N 115.635 -0.711 . . . . 0.0 109.287 177.449 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 11' ' ' GLU . . . . . 0.493 ' HA ' ' HG2' ' A' ' 14' ' ' LYS . 41.0 tt0 -59.2 -45.57 90.72 Favored 'General case' 0 N--CA 1.435 -1.193 0 CA-C-N 115.2 -0.909 . . . . 0.0 110.623 179.944 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -56.74 -36.41 69.73 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.643 -179.859 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 5.3 mptp? -74.36 -43.21 57.5 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 120.934 0.397 . . . . 0.0 110.778 178.265 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.509 ' O ' HG13 ' A' ' 18' ' ' ILE . 16.8 ptmt -73.3 -28.88 62.34 Favored 'General case' 0 C--N 1.31 -1.116 0 N-CA-C 112.056 0.391 . . . . 0.0 112.056 -176.086 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 15' ' ' LYS . . . . . 0.454 ' HG2' ' O ' ' A' ' 11' ' ' GLU . 14.1 mmmm -69.25 -34.93 75.55 Favored 'General case' 0 C--O 1.256 1.419 0 CA-C-O 121.374 0.607 . . . . 0.0 109.45 175.194 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 16' ' ' GLU . . . . . 0.414 ' O ' ' HG ' ' A' ' 20' ' ' LEU . 9.4 tp10 -71.76 -39.28 70.09 Favored 'General case' 0 CA--C 1.505 -0.764 0 N-CA-C 106.665 -1.606 . . . . 0.0 106.665 -178.912 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.458 ' O ' HG23 ' A' ' 21' ' ' VAL . 16.1 mt -54.72 -43.02 72.23 Favored 'General case' 0 C--O 1.205 -1.244 0 CA-C-N 114.694 -1.139 . . . . 0.0 112.191 174.437 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.509 HG13 ' O ' ' A' ' 14' ' ' LYS . 75.0 mt -56.76 -40.23 69.13 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.649 0 N-CA-C 109.762 -0.458 . . . . 0.0 109.762 177.983 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 54.9 t80 -69.16 -47.05 66.03 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.837 -0.62 . . . . 0.0 110.433 176.267 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.414 ' HG ' ' O ' ' A' ' 16' ' ' GLU . 74.6 mt -61.86 -38.29 87.7 Favored 'General case' 0 C--N 1.314 -0.937 0 C-N-CA 123.292 0.637 . . . . 0.0 112.005 -177.996 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.458 HG23 ' O ' ' A' ' 17' ' ' LEU . 94.8 t -64.39 -36.85 78.42 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.76 0 CA-C-O 121.389 0.614 . . . . 0.0 110.313 175.766 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 22' ' ' GLU . . . . . 0.46 ' HG2' ' O ' ' A' ' 18' ' ' ILE . 71.5 mm-40 -68.57 -39.59 80.93 Favored 'General case' 0 C--N 1.315 -0.911 0 CA-C-O 121.53 0.681 . . . . 0.0 110.503 176.319 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 45.7 tttp -77.32 -45.86 24.81 Favored 'General case' 0 N--CA 1.423 -1.794 0 CA-C-N 115.317 -0.856 . . . . 0.0 112.825 -174.593 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 73.9 m-85 -106.48 -17.53 14.24 Favored 'General case' 0 C--N 1.315 -0.926 0 N-CA-C 113.154 0.798 . . . . 0.0 113.154 -174.492 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 106.65 178.12 23.08 Favored Glycine 0 C--N 1.3 -1.446 0 C-N-CA 120.296 -0.954 . . . . 0.0 112.283 179.327 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 65.6 m-85 -89.58 133.41 34.62 Favored 'General case' 0 C--N 1.301 -1.509 0 N-CA-C 108.121 -1.066 . . . . 0.0 108.121 179.185 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 25.2 m 65.65 77.82 0.29 Allowed 'General case' 0 C--N 1.32 -0.715 0 CA-C-O 122.522 1.154 . . . . 0.0 110.345 -178.82 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 3.8 t60 -139.25 136.17 34.67 Favored 'General case' 0 C--N 1.297 -1.704 0 N-CA-C 105.108 -2.182 . . . . 0.0 105.108 -178.94 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 86.1 m-70 -61.26 -27.87 68.77 Favored 'General case' 0 N--CA 1.48 1.062 0 N-CA-C 113.802 1.038 . . . . 0.0 113.802 -173.78 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 75.6 mmtt -57.87 -53.87 53.34 Favored 'General case' 0 N--CA 1.465 0.31 0 N-CA-C 108.448 -0.945 . . . . 0.0 108.448 173.291 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.417 HG13 HD22 ' A' ' 17' ' ' LEU . 61.3 t -63.33 -43.31 98.55 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.605 0 CA-C-N 114.483 -1.235 . . . . 0.0 110.423 -178.466 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.41 ' O ' ' HG2' ' A' ' 36' ' ' GLN . 74.9 mt -59.3 -42.2 86.47 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.378 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.922 179.085 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 50.6 m -61.37 -39.64 91.39 Favored 'General case' 0 C--O 1.246 0.896 0 CA-C-O 120.692 0.282 . . . . 0.0 111.458 179.348 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 34' ' ' PHE . . . . . 0.448 ' HB2' HD21 ' A' ' 17' ' ' LEU . 83.0 m-85 -71.03 -31.32 67.76 Favored 'General case' 0 C--O 1.225 -0.186 0 N-CA-C 110.084 -0.339 . . . . 0.0 110.084 175.896 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 20.7 m -66.38 -35.84 81.35 Favored 'General case' 0 C--O 1.217 -0.644 0 N-CA-C 109.375 -0.602 . . . . 0.0 109.375 177.81 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 36' ' ' GLN . . . . . 0.41 ' HG2' ' O ' ' A' ' 32' ' ' ILE . 14.1 mm-40 -68.88 -28.84 67.06 Favored 'General case' 0 C--O 1.235 0.319 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.433 176.715 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 41.1 tt0 -75.44 -44.0 46.75 Favored 'General case' 0 C--N 1.318 -0.794 0 N-CA-C 108.979 -0.748 . . . . 0.0 108.979 177.394 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.425 HD11 ' HB3' ' A' ' 14' ' ' LYS . 4.9 tt -58.17 -46.24 86.06 Favored 'General case' 0 C--O 1.219 -0.508 0 N-CA-C 108.247 -1.02 . . . . 0.0 108.247 176.26 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 34.1 t70 -56.18 -40.0 73.25 Favored 'General case' 0 C--O 1.219 -0.516 0 C-N-CA 123.887 0.875 . . . . 0.0 110.376 179.745 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 40' ' ' ARG . . . . . 0.401 ' O ' ' HG ' ' A' ' 44' ' ' LEU . 0.5 OUTLIER -61.27 -49.87 75.32 Favored 'General case' 0 CA--C 1.538 0.509 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.754 176.576 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 10.3 mp -66.57 -32.89 74.53 Favored 'General case' 0 N--CA 1.467 0.414 0 CA-C-O 121.037 0.446 . . . . 0.0 111.416 -179.686 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 7.5 tt -66.24 -41.46 89.98 Favored 'General case' 0 C--N 1.311 -1.101 0 N-CA-C 108.849 -0.797 . . . . 0.0 108.849 176.992 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 12.9 m120 -64.6 -27.27 68.83 Favored 'General case' 0 C--O 1.209 -1.047 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.938 178.431 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.401 ' HG ' ' O ' ' A' ' 40' ' ' ARG . 94.2 mt -61.94 -32.24 72.65 Favored 'General case' 0 C--N 1.321 -0.636 0 O-C-N 123.137 0.273 . . . . 0.0 111.25 179.427 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.451 HD23 HD23 ' A' ' 6' ' ' LEU . 94.4 mt -65.27 -39.64 92.87 Favored 'General case' 0 C--O 1.237 0.403 0 N-CA-C 109.211 -0.663 . . . . 0.0 109.211 175.193 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 2.0 mp -72.8 -40.89 61.4 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.846 0 CA-C-N 115.133 -0.94 . . . . 0.0 110.147 179.401 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 35.5 mt-10 . . . . . 0 C--O 1.215 -0.727 0 O-C-N 122.254 -0.279 . . . . 0.0 111.511 177.651 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 33.3 m . . . . . 0 N--CA 1.47 0.541 0 N-CA-C 112.106 0.41 . . . . 0.0 112.106 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 28.6 m -53.35 -41.44 65.78 Favored 'General case' 0 C--N 1.319 -0.734 0 C-N-CA 125.018 1.327 . . . . 0.0 112.112 -173.516 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 5' ' ' LYS . . . . . 0.533 ' O ' ' HG3' ' A' ' 9' ' ' ARG . 22.8 pttm -55.31 -26.8 42.77 Favored 'General case' 0 C--N 1.306 -1.317 0 CA-C-N 114.916 -1.038 . . . . 0.0 112.651 -178.565 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 44.4 tp -64.12 -50.22 69.09 Favored 'General case' 0 C--O 1.234 0.254 0 N-CA-C 109.726 -0.472 . . . . 0.0 109.726 178.354 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 7' ' ' ASN . . . . . 0.456 ' HA ' HD12 ' A' ' 10' ' ' ILE . 9.5 t30 -68.06 -32.23 72.43 Favored 'General case' 0 CA--C 1.508 -0.655 0 N-CA-C 108.992 -0.744 . . . . 0.0 108.992 178.559 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 8' ' ' ASP . . . . . 0.47 ' HB3' ' HA ' ' A' ' 5' ' ' LYS . 25.1 t70 -60.71 -32.54 71.78 Favored 'General case' 0 C--N 1.31 -1.125 0 CA-C-N 114.843 -1.071 . . . . 0.0 110.888 176.9 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 9' ' ' ARG . . . . . 0.533 ' HG3' ' O ' ' A' ' 5' ' ' LYS . 71.9 mtp180 -68.17 -39.77 82.48 Favored 'General case' 0 C--O 1.24 0.597 0 N-CA-C 108.718 -0.845 . . . . 0.0 108.718 176.151 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.456 HD12 ' HA ' ' A' ' 7' ' ' ASN . 49.1 mt -63.11 -48.7 86.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 CA-C-N 115.02 -0.991 . . . . 0.0 109.256 179.131 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 11' ' ' GLU . . . . . 0.445 ' O ' ' HG2' ' A' ' 14' ' ' LYS . 18.8 mm-40 -51.16 -48.38 61.9 Favored 'General case' 0 N--CA 1.467 0.423 0 O-C-N 123.909 0.756 . . . . 0.0 111.321 179.391 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -64.38 -41.58 96.6 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.574 -179.929 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 61.8 mttp -77.37 -32.51 55.03 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 113.525 0.935 . . . . 0.0 113.525 -176.771 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.454 ' O ' HG13 ' A' ' 18' ' ' ILE . 18.6 ptmt -67.27 -34.46 77.46 Favored 'General case' 0 C--N 1.32 -0.68 0 C-N-CA 120.684 -0.406 . . . . 0.0 109.922 -179.846 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 75.9 mmtt -70.75 -30.61 67.17 Favored 'General case' 0 C--O 1.239 0.551 0 CA-C-O 121.303 0.573 . . . . 0.0 110.209 177.562 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 16' ' ' GLU . . . . . 0.49 ' O ' ' HG ' ' A' ' 20' ' ' LEU . 38.6 tt0 -74.89 -42.83 57.08 Favored 'General case' 0 C--N 1.315 -0.933 0 N-CA-C 108.649 -0.871 . . . . 0.0 108.649 -178.63 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.428 ' O ' HG23 ' A' ' 21' ' ' VAL . 13.7 mt -59.39 -42.31 91.43 Favored 'General case' 0 N--CA 1.427 -1.579 0 CA-C-N 114.716 -1.129 . . . . 0.0 112.458 176.518 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.454 HG13 ' O ' ' A' ' 14' ' ' LYS . 85.8 mt -57.38 -44.79 84.98 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.63 0 CA-C-O 120.74 0.305 . . . . 0.0 110.26 176.51 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 65.1 t80 -61.8 -45.29 94.47 Favored 'General case' 0 C--O 1.248 0.999 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.487 176.703 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.49 ' HG ' ' O ' ' A' ' 16' ' ' GLU . 84.5 mt -63.96 -42.26 97.32 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.91 -0.586 . . . . 0.0 111.087 -179.716 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.516 ' O ' ' HA2' ' A' ' 25' ' ' GLY . 78.3 t -62.2 -33.24 57.73 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.836 0 C-N-CA 123.124 0.57 . . . . 0.0 111.838 178.199 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 22' ' ' GLU . . . . . 0.42 ' HG3' ' O ' ' A' ' 18' ' ' ILE . 47.0 mt-10 -68.34 -50.48 53.03 Favored 'General case' 0 C--N 1.314 -0.972 0 O-C-N 121.416 -0.802 . . . . 0.0 110.914 175.142 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 11.6 mptt -81.9 -48.37 11.6 Favored 'General case' 0 C--N 1.319 -0.723 0 N-CA-C 113.674 0.99 . . . . 0.0 113.674 -171.198 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 92.5 m-85 -98.53 -42.13 7.44 Favored 'General case' 0 C--N 1.304 -1.37 0 N-CA-C 109.003 -0.74 . . . . 0.0 109.003 -179.922 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 25' ' ' GLY . . . . . 0.516 ' HA2' ' O ' ' A' ' 21' ' ' VAL . . . 89.08 -129.19 9.53 Favored Glycine 0 N--CA 1.419 -2.45 0 N-CA-C 109.406 -1.478 . . . . 0.0 109.406 -177.679 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 50.4 m-85 -112.1 -158.07 0.64 Allowed 'General case' 0 C--N 1.276 -2.59 0 N-CA-C 107.577 -1.268 . . . . 0.0 107.577 173.676 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 59.2 p 68.47 -40.58 0.43 Allowed 'General case' 0 N--CA 1.481 1.076 0 C-N-CA 125.729 1.612 . . . . 0.0 112.257 -174.135 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 62.6 t-80 -62.36 115.8 4.51 Favored 'General case' 0 N--CA 1.439 -0.982 0 N-CA-C 108.031 -1.1 . . . . 0.0 108.031 176.313 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 91.5 m-70 -59.39 -35.45 73.97 Favored 'General case' 0 C--N 1.306 -1.287 0 C-N-CA 124.475 1.11 . . . . 0.0 113.285 -171.459 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 75.4 mmtt -62.68 -44.16 96.96 Favored 'General case' 0 C--O 1.224 -0.257 0 C-N-CA 120.686 -0.406 . . . . 0.0 110.581 178.719 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 91.6 t -59.46 -45.33 93.78 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.581 0 N-CA-C 109.409 -0.589 . . . . 0.0 109.409 -179.772 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.447 ' O ' ' HG3' ' A' ' 36' ' ' GLN . 67.3 mt -62.29 -45.85 97.8 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.909 0 CA-C-N 115.2 -0.909 . . . . 0.0 109.936 179.469 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 21.7 m -64.71 -36.1 83.19 Favored 'General case' 0 C--O 1.245 0.83 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.827 -178.676 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 18.8 m-85 -71.75 -38.95 70.34 Favored 'General case' 0 N--CA 1.463 0.197 0 N-CA-C 110.03 -0.359 . . . . 0.0 110.03 178.972 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 22.1 t -63.97 -32.48 74.03 Favored 'General case' 0 C--O 1.242 0.709 0 CA-C-O 121.382 0.611 . . . . 0.0 110.084 178.978 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 36' ' ' GLN . . . . . 0.447 ' HG3' ' O ' ' A' ' 32' ' ' ILE . 26.0 mt-30 -67.17 -40.09 86.53 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.652 176.037 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 37' ' ' GLU . . . . . 0.54 ' O ' ' HG ' ' A' ' 41' ' ' LEU . 35.9 tt0 -68.38 -42.08 79.66 Favored 'General case' 0 N--CA 1.447 -0.586 0 N-CA-C 109.406 -0.59 . . . . 0.0 109.406 -179.325 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 7.2 tt -53.17 -53.38 51.42 Favored 'General case' 0 CA--C 1.531 0.228 0 O-C-N 124.011 0.819 . . . . 0.0 109.601 177.899 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 15.4 t70 -56.82 -42.41 79.53 Favored 'General case' 0 N--CA 1.477 0.908 0 CA-C-O 121.113 0.482 . . . . 0.0 111.323 179.091 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 40' ' ' ARG . . . . . 0.488 ' O ' ' HG ' ' A' ' 44' ' ' LEU . 20.0 mmt180 -71.42 -29.37 64.81 Favored 'General case' 0 N--CA 1.439 -0.975 0 N-CA-C 112.715 0.635 . . . . 0.0 112.715 -178.924 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.54 ' HG ' ' O ' ' A' ' 37' ' ' GLU . 98.2 mt -65.83 -37.25 85.7 Favored 'General case' 0 C--N 1.317 -0.818 0 N-CA-C 109.014 -0.736 . . . . 0.0 109.014 174.355 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.512 ' O ' HG13 ' A' ' 46' ' ' ILE . 3.9 mm? -61.94 -39.59 92.61 Favored 'General case' 0 C--O 1.219 -0.508 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.095 173.492 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 5.7 m-20 -63.31 -27.85 69.61 Favored 'General case' 0 N--CA 1.485 1.286 0 CA-C-O 121.372 0.606 . . . . 0.0 111.417 178.522 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.488 ' HG ' ' O ' ' A' ' 40' ' ' ARG . 86.6 mt -72.65 -40.45 66.36 Favored 'General case' 0 C--N 1.312 -1.034 0 CA-C-N 115.751 -0.659 . . . . 0.0 109.261 177.004 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 90.0 mt -64.96 -38.38 90.76 Favored 'General case' 0 CA--C 1.512 -0.512 0 CA-C-N 116.646 -0.252 . . . . 0.0 110.527 177.23 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.512 HG13 ' O ' ' A' ' 42' ' ' LEU . 78.1 mt -59.03 -31.74 46.31 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.475 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.053 177.615 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 34.0 tt0 . . . . . 0 C--N 1.313 -0.991 0 N-CA-C 109.484 -0.561 . . . . 0.0 109.484 178.555 . . . . . . . . 0 0 . 1 . 021 nuclear build core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 27.3 m . . . . . 0 CA--C 1.512 -0.487 0 N-CA-C 112.265 0.468 . . . . 0.0 112.265 . . . . . . . . . 0 0 . 1 . 021 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 9.0 t -65.96 -38.02 87.5 Favored 'General case' 0 CA--C 1.551 1.007 0 CA-C-O 121.083 0.468 . . . . 0.0 109.82 176.092 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 5' ' ' LYS . . . . . 0.416 ' HD3' ' HA ' ' A' ' 5' ' ' LYS . 26.9 mmtt -77.62 -30.14 52.16 Favored 'General case' 0 N--CA 1.437 -1.075 0 O-C-N 121.886 -0.509 . . . . 0.0 111.796 176.386 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.402 ' O ' HG13 ' A' ' 10' ' ' ILE . 58.8 tp -61.88 -43.22 99.28 Favored 'General case' 0 C--N 1.319 -0.727 0 N-CA-C 107.88 -1.155 . . . . 0.0 107.88 173.891 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 25.8 t-20 -63.52 -40.32 96.73 Favored 'General case' 0 C--O 1.212 -0.92 0 CA-C-N 115.096 -0.956 . . . . 0.0 110.588 178.186 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 32.6 t70 -58.62 -37.96 77.02 Favored 'General case' 0 N--CA 1.488 1.432 0 CA-C-O 121.248 0.547 . . . . 0.0 111.36 178.26 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 81.1 mtp180 -65.17 -50.19 66.93 Favored 'General case' 0 C--O 1.243 0.757 0 CA-C-O 121.41 0.624 . . . . 0.0 109.74 177.035 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.53 ' O ' ' HG2' ' A' ' 14' ' ' LYS . 74.3 mt -62.88 -44.12 99.37 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.739 0 CA-C-N 114.555 -1.202 . . . . 0.0 110.89 -178.137 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 7.8 tp10 -56.57 -40.09 74.61 Favored 'General case' 0 C--N 1.33 -0.247 0 C-N-CA 123.79 0.836 . . . . 0.0 110.65 -178.02 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -65.45 -36.73 84.79 Favored 'General case' 0 C--N 1.316 -0.852 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.645 178.41 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 34.9 mmtp -76.56 -39.85 51.54 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.623 -177.828 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.53 ' HG2' ' O ' ' A' ' 10' ' ' ILE . 10.1 ptmm? -73.89 -31.87 63.32 Favored 'General case' 0 C--N 1.313 -0.987 0 N-CA-C 112.76 0.652 . . . . 0.0 112.76 -179.746 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 15' ' ' LYS . . . . . 0.416 ' HD3' ' N ' ' A' ' 16' ' ' GLU . 0.0 OUTLIER -65.42 -32.71 74.48 Favored 'General case' 0 C--O 1.237 0.415 0 C-N-CA 119.728 -0.789 . . . . 0.0 109.431 175.936 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 16' ' ' GLU . . . . . 0.567 ' O ' ' HG ' ' A' ' 20' ' ' LEU . 34.5 tt0 -73.01 -46.48 51.88 Favored 'General case' 0 N--CA 1.431 -1.397 0 CA-C-N 114.71 -1.132 . . . . 0.0 109.109 177.01 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.529 ' O ' HG23 ' A' ' 21' ' ' VAL . 58.0 tp -56.68 -45.83 81.5 Favored 'General case' 0 C--O 1.216 -0.676 0 CA-C-N 115.802 -0.635 . . . . 0.0 111.561 179.447 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.518 HG13 ' O ' ' A' ' 14' ' ' LYS . 75.9 mt -59.95 -42.7 90.35 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.448 0 N-CA-C 109.561 -0.533 . . . . 0.0 109.561 178.882 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 79.1 t80 -61.68 -39.62 92.05 Favored 'General case' 0 C--O 1.239 0.541 0 CA-C-O 121.325 0.583 . . . . 0.0 109.838 177.653 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.567 ' HG ' ' O ' ' A' ' 16' ' ' GLU . 76.9 mt -66.86 -35.61 80.42 Favored 'General case' 0 C--O 1.212 -0.899 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.466 178.404 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.529 HG23 ' O ' ' A' ' 17' ' ' LEU . 82.6 t -67.29 -36.79 77.65 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.795 0 CA-C-O 120.97 0.414 . . . . 0.0 110.23 177.158 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 22' ' ' GLU . . . . . 0.512 ' HG3' ' O ' ' A' ' 18' ' ' ILE . 48.1 mt-10 -67.89 -51.68 45.21 Favored 'General case' 0 C--N 1.309 -1.161 0 CA-C-O 120.946 0.403 . . . . 0.0 110.503 177.896 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 74.4 mmtt -81.96 -47.99 12.02 Favored 'General case' 0 C--N 1.32 -0.675 0 N-CA-C 113.816 1.043 . . . . 0.0 113.816 -174.229 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 90.4 m-85 -96.84 -37.52 10.21 Favored 'General case' 0 C--N 1.311 -1.106 0 CA-C-O 120.718 0.294 . . . . 0.0 110.996 -176.001 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 78.66 159.47 14.29 Favored Glycine 0 C--O 1.258 1.631 0 CA-C-N 115.902 -0.59 . . . . 0.0 114.086 175.709 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 43.6 m-85 -72.16 87.09 1.08 Allowed 'General case' 0 N--CA 1.441 -0.879 0 CA-C-O 121.933 0.873 . . . . 0.0 111.15 176.205 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 14.8 t -169.49 -28.75 0.02 OUTLIER 'General case' 0 C--N 1.288 -2.084 0 N-CA-C 105.911 -1.885 . . . . 0.0 105.911 178.199 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 35.2 m80 -74.39 131.31 40.98 Favored 'General case' 0 N--CA 1.434 -1.259 0 CA-C-N 114.431 -1.258 . . . . 0.0 108.521 170.902 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 56.1 t60 -61.86 -32.85 73.24 Favored 'General case' 0 C--N 1.32 -0.699 0 O-C-N 123.786 0.679 . . . . 0.0 109.26 -179.883 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 44.1 mmtm -50.92 -58.94 4.74 Favored 'General case' 0 C--O 1.225 -0.226 0 O-C-N 123.802 0.689 . . . . 0.0 110.857 175.109 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 59.5 t -59.48 -42.98 89.6 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.71 0 C-N-CA 123.34 0.656 . . . . 0.0 110.81 -177.69 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 71.1 mt -66.06 -41.86 90.4 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.868 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.522 -179.423 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 20.7 t -66.98 -43.34 83.28 Favored 'General case' 0 C--N 1.317 -0.811 0 C-N-CA 122.697 0.399 . . . . 0.0 110.092 179.933 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 24.6 m-85 -66.08 -33.26 75.38 Favored 'General case' 0 C--O 1.214 -0.769 0 C-N-CA 120.97 -0.292 . . . . 0.0 110.692 178.595 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 11.5 t -67.49 -44.12 79.29 Favored 'General case' 0 C--N 1.319 -0.741 0 N-CA-C 109.723 -0.473 . . . . 0.0 109.723 179.055 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 49.7 mt-30 -65.43 -33.12 75.21 Favored 'General case' 0 N--CA 1.471 0.582 0 CA-C-O 121.635 0.731 . . . . 0.0 110.372 177.962 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 40.9 tp10 -69.39 -45.36 69.49 Favored 'General case' 0 N--CA 1.438 -1.053 0 CA-C-N 115.539 -0.755 . . . . 0.0 109.091 177.602 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 1.3 tm? -61.29 -37.43 83.17 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.309 -0.859 . . . . 0.0 108.816 178.866 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 29.5 m-20 -56.64 -44.08 80.92 Favored 'General case' 0 CA--C 1.509 -0.631 0 CA-C-O 120.65 0.262 . . . . 0.0 111.186 175.643 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 26.9 tpt180 -70.75 -36.87 73.32 Favored 'General case' 0 C--N 1.319 -0.757 0 C-N-CA 120.363 -0.535 . . . . 0.0 110.849 179.508 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 10.8 mp -62.64 -40.92 98.54 Favored 'General case' 0 N--CA 1.474 0.743 0 CA-C-O 120.937 0.398 . . . . 0.0 111.151 175.379 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 50.7 tp -63.94 -30.5 71.58 Favored 'General case' 0 C--N 1.318 -0.799 0 CA-C-O 121.738 0.78 . . . . 0.0 109.805 177.876 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 43' ' ' ASN . . . . . 0.518 ' O ' ' HG2' ' A' ' 47' ' ' GLU . 8.4 m-80 -75.36 -17.87 60.12 Favored 'General case' 0 C--N 1.316 -0.875 0 CA-C-N 115.046 -0.979 . . . . 0.0 112.476 177.583 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 95.6 mt -63.95 -31.86 73.19 Favored 'General case' 0 C--O 1.22 -0.494 0 CA-C-O 120.844 0.354 . . . . 0.0 110.722 179.649 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 6.5 mp -63.37 -38.23 90.34 Favored 'General case' 0 C--N 1.322 -0.587 0 N-CA-C 109.202 -0.666 . . . . 0.0 109.202 176.135 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 86.6 mt -69.25 -40.71 80.65 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.664 0 CA-C-N 114.998 -1.001 . . . . 0.0 109.72 178.054 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 47' ' ' GLU . . . . . 0.518 ' HG2' ' O ' ' A' ' 43' ' ' ASN . 32.9 mm-40 . . . . . 0 C--N 1.318 -0.794 0 N-CA-C 108.986 -0.746 . . . . 0.0 108.986 176.813 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 27.7 m . . . . . 0 N--CA 1.447 -0.608 0 CA-C-O 120.86 0.362 . . . . 0.0 110.319 . . . . . . . . . 0 0 . 1 . 022 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 12.2 t -65.87 -32.77 74.48 Favored 'General case' 0 N--CA 1.441 -0.918 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.014 176.824 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 42.0 mmtm -78.59 -30.47 46.68 Favored 'General case' 0 CA--C 1.505 -0.784 0 CA-C-O 120.704 0.288 . . . . 0.0 110.639 178.042 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 45.5 tp -68.0 -43.81 78.03 Favored 'General case' 0 C--N 1.316 -0.864 0 N-CA-C 107.984 -1.117 . . . . 0.0 107.984 175.99 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 7' ' ' ASN . . . . . 0.524 ' HB2' HD21 ' A' ' 45' ' ' LEU . 7.9 t30 -60.94 -40.99 95.38 Favored 'General case' 0 C--O 1.219 -0.539 0 CA-C-N 115.092 -0.958 . . . . 0.0 109.522 176.351 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 19.2 t70 -58.99 -34.42 71.81 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-N 114.742 -1.117 . . . . 0.0 110.663 179.688 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 61.8 mtp180 -67.85 -39.46 83.8 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.67 -0.696 . . . . 0.0 110.12 176.849 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.487 ' O ' ' HG3' ' A' ' 14' ' ' LYS . 53.9 mt -63.17 -42.63 97.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 N-CA-C 108.704 -0.85 . . . . 0.0 108.704 178.421 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 11' ' ' GLU . . . . . 0.514 ' HG2' ' O ' ' A' ' 7' ' ' ASN . 16.8 mm-40 -55.5 -47.22 76.55 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.411 -0.813 . . . . 0.0 111.056 179.103 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -70.46 -27.85 64.56 Favored 'General case' 0 C--O 1.246 0.889 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.853 -179.261 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 18.1 tptm -77.24 -33.11 56.12 Favored 'General case' 0 C--N 1.317 -0.811 0 N-CA-C 109.118 -0.697 . . . . 0.0 109.118 -178.361 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.562 ' O ' HG12 ' A' ' 18' ' ' ILE . 97.9 mttt -58.77 -49.29 78.2 Favored 'General case' 0 C--O 1.21 -0.975 0 CA-C-N 115.649 -0.705 . . . . 0.0 109.323 173.501 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 29.1 mtpp -58.76 -40.08 82.87 Favored 'General case' 0 N--CA 1.47 0.53 0 O-C-N 123.853 0.721 . . . . 0.0 110.45 -179.375 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 33.4 tt0 -65.72 -42.26 91.29 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-N 115.637 -0.711 . . . . 0.0 109.23 179.221 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.504 ' O ' HG23 ' A' ' 21' ' ' VAL . 55.1 tp -64.15 -41.59 97.12 Favored 'General case' 0 N--CA 1.445 -0.72 0 CA-C-N 115.37 -0.832 . . . . 0.0 110.862 179.375 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.562 HG12 ' O ' ' A' ' 14' ' ' LYS . 27.3 mm -53.81 -51.98 39.34 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.678 0 N-CA-C 108.468 -0.938 . . . . 0.0 108.468 179.511 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 54.1 t80 -55.96 -43.52 77.6 Favored 'General case' 0 C--N 1.314 -0.976 0 CA-C-N 113.528 -1.669 . . . . 0.0 110.449 -178.281 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.506 HD13 ' CE2' ' A' ' 34' ' ' PHE . 80.5 mt -74.49 -36.34 63.26 Favored 'General case' 0 C--N 1.309 -1.169 0 CA-C-N 115.438 -0.801 . . . . 0.0 112.775 -178.556 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.504 HG23 ' O ' ' A' ' 17' ' ' LEU . 87.9 t -64.72 -40.87 90.55 Favored 'Isoleucine or valine' 0 C--O 1.241 0.606 0 CA-C-O 120.827 0.346 . . . . 0.0 110.252 178.554 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 22' ' ' GLU . . . . . 0.449 ' HG2' ' O ' ' A' ' 18' ' ' ILE . 44.2 mm-40 -64.51 -33.14 75.21 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-O 121.19 0.519 . . . . 0.0 110.802 179.193 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 59.3 mttm -82.03 -44.81 16.14 Favored 'General case' 0 C--N 1.316 -0.853 0 N-CA-C 113.976 1.102 . . . . 0.0 113.976 -179.056 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 89.8 m-85 -109.12 -20.34 13.03 Favored 'General case' 0 C--N 1.305 -1.328 0 N-CA-C 114.491 1.293 . . . . 0.0 114.491 -170.464 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 89.72 174.06 45.64 Favored Glycine 0 C--N 1.306 -1.092 0 C-N-CA 119.797 -1.192 . . . . 0.0 111.929 -178.955 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 26.0 p90 -84.34 -20.24 32.34 Favored 'General case' 0 C--N 1.309 -1.163 0 CA-C-O 121.148 0.499 . . . . 0.0 111.515 -176.155 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 6.4 m -84.82 -6.17 59.34 Favored 'General case' 0 CA--C 1.553 1.088 0 CA-C-O 121.495 0.665 . . . . 0.0 111.256 -176.01 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 57.7 t60 -77.8 124.99 28.66 Favored 'General case' 0 C--N 1.316 -0.883 0 N-CA-C 108.861 -0.792 . . . . 0.0 108.861 -179.327 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 45.0 m80 -56.53 -42.6 78.75 Favored 'General case' 0 N--CA 1.483 1.216 0 N-CA-C 112.918 0.71 . . . . 0.0 112.918 -173.952 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 29.7 mtpp -60.36 -40.0 89.21 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.581 -0.282 . . . . 0.0 111.073 179.389 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 94.9 t -64.4 -39.0 84.01 Favored 'Isoleucine or valine' 0 C--O 1.247 0.95 0 CA-C-O 121.007 0.432 . . . . 0.0 110.101 179.909 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.512 ' O ' ' HG2' ' A' ' 36' ' ' GLN . 70.3 mt -60.95 -44.87 98.95 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.654 0 N-CA-C 109.142 -0.688 . . . . 0.0 109.142 176.157 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 33' ' ' SER . . . . . 0.404 ' O ' ' HG3' ' A' ' 37' ' ' GLU . 22.7 t -63.35 -37.81 88.71 Favored 'General case' 0 CA--C 1.546 0.82 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.05 179.522 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 34' ' ' PHE . . . . . 0.506 ' CE2' HD13 ' A' ' 20' ' ' LEU . 16.3 m-85 -67.29 -35.9 80.43 Favored 'General case' 0 N--CA 1.471 0.616 0 CA-C-O 121.374 0.607 . . . . 0.0 109.876 178.695 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 31.4 m -66.84 -33.56 75.88 Favored 'General case' 0 C--N 1.317 -0.82 0 CA-C-N 115.426 -0.806 . . . . 0.0 110.07 178.272 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 36' ' ' GLN . . . . . 0.512 ' HG2' ' O ' ' A' ' 32' ' ' ILE . 27.7 mm-40 -67.1 -39.05 86.65 Favored 'General case' 0 C--O 1.225 -0.229 0 N-CA-C 109.097 -0.705 . . . . 0.0 109.097 176.703 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 37' ' ' GLU . . . . . 0.404 ' HG3' ' O ' ' A' ' 33' ' ' SER . 49.4 mt-10 -59.84 -47.93 83.72 Favored 'General case' 0 CA--C 1.512 -0.511 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.112 178.101 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 1.5 tm? -58.43 -46.59 86.19 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.406 -0.815 . . . . 0.0 109.574 -177.421 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 17.1 t70 -61.79 -44.28 97.19 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.841 -0.618 . . . . 0.0 111.683 178.944 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -67.98 -37.83 81.97 Favored 'General case' 0 C--N 1.313 -0.984 0 N-CA-C 112.351 0.5 . . . . 0.0 112.351 -177.975 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.433 ' HB3' HG12 ' A' ' 10' ' ' ILE . 11.0 mp -66.81 -36.77 83.14 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 120.783 0.325 . . . . 0.0 110.679 175.253 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 50.7 tp -66.31 -35.83 81.37 Favored 'General case' 0 C--O 1.239 0.5 0 CA-C-O 121.387 0.613 . . . . 0.0 109.846 177.995 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 19.3 m-80 -67.2 -17.78 64.97 Favored 'General case' 0 CA--C 1.503 -0.862 0 CA-C-N 115.581 -0.736 . . . . 0.0 112.338 178.163 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 96.0 mt -66.2 -35.07 79.47 Favored 'General case' 0 C--N 1.32 -0.693 0 N-CA-C 110.263 -0.273 . . . . 0.0 110.263 177.782 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.524 HD21 ' HB2' ' A' ' 7' ' ' ASN . 7.7 mp -73.25 -41.66 63.43 Favored 'General case' 0 CA--C 1.507 -0.692 0 CA-C-O 121.414 0.626 . . . . 0.0 109.579 175.222 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 65.4 mt -60.76 -29.8 45.85 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.762 0 CA-C-N 114.931 -1.031 . . . . 0.0 109.981 179.582 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 9.0 tp10 . . . . . 0 CA--C 1.54 0.592 0 C-N-CA 123.919 0.888 . . . . 0.0 110.85 178.934 . . . . . . . . 0 0 . 1 . 023 nuclear build core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 31.1 m . . . . . 0 C--O 1.234 0.242 0 N-CA-C 112.783 0.661 . . . . 0.0 112.783 . . . . . . . . . 0 0 . 1 . 023 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 9.9 t -65.19 -41.72 94.29 Favored 'General case' 0 N--CA 1.44 -0.972 0 C-N-CA 120.683 -0.407 . . . . 0.0 111.639 -179.84 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 5' ' ' LYS . . . . . 0.475 ' O ' ' HG3' ' A' ' 9' ' ' ARG . 0.3 OUTLIER -78.13 -28.28 48.46 Favored 'General case' 0 N--CA 1.443 -0.801 0 C-N-CA 119.547 -0.861 . . . . 0.0 110.408 178.517 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.559 ' O ' HG13 ' A' ' 10' ' ' ILE . 56.0 tp -60.22 -52.19 66.34 Favored 'General case' 0 C--O 1.224 -0.254 0 N-CA-C 109.065 -0.717 . . . . 0.0 109.065 176.361 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 47.5 t-20 -62.26 -40.57 96.66 Favored 'General case' 0 C--O 1.24 0.564 0 CA-C-N 115.657 -0.701 . . . . 0.0 109.312 179.732 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 32.6 t70 -59.88 -47.19 86.76 Favored 'General case' 0 C--N 1.312 -1.028 0 CA-C-N 115.56 -0.745 . . . . 0.0 112.207 179.698 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 9' ' ' ARG . . . . . 0.475 ' HG3' ' O ' ' A' ' 5' ' ' LYS . 83.5 mtp180 -63.36 -35.05 79.11 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 120.963 0.411 . . . . 0.0 110.848 179.369 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.561 HG12 ' HB3' ' A' ' 41' ' ' LEU . 70.7 mt -64.0 -48.88 84.05 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.684 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.29 178.622 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 50.1 mt-10 -64.4 -31.55 72.8 Favored 'General case' 0 C--O 1.239 0.502 0 CA-C-O 120.835 0.35 . . . . 0.0 111.851 179.021 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -67.29 -37.09 82.84 Favored 'General case' 0 C--N 1.316 -0.859 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.503 176.804 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 83.5 mttt -77.3 -31.69 54.9 Favored 'General case' 0 CA--C 1.503 -0.83 0 C-N-CA 120.071 -0.652 . . . . 0.0 110.414 179.264 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.488 ' O ' HG13 ' A' ' 18' ' ' ILE . 55.0 mttm -60.2 -45.95 91.4 Favored 'General case' 0 C--N 1.317 -0.823 0 CA-C-N 115.764 -0.653 . . . . 0.0 110.93 175.435 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.95 -29.55 66.7 Favored 'General case' 0 N--CA 1.444 -0.728 0 C-N-CA 120.537 -0.465 . . . . 0.0 110.895 179.917 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 16' ' ' GLU . . . . . 0.615 ' O ' ' HG ' ' A' ' 20' ' ' LEU . 16.6 tp10 -66.29 -45.04 81.78 Favored 'General case' 0 C--O 1.223 -0.301 0 N-CA-C 107.554 -1.276 . . . . 0.0 107.554 177.009 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.47 ' O ' HG23 ' A' ' 21' ' ' VAL . 34.1 tp -64.15 -40.39 96.06 Favored 'General case' 0 N--CA 1.438 -1.072 0 CA-C-N 114.871 -1.059 . . . . 0.0 110.433 179.39 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.51 ' O ' ' HG3' ' A' ' 22' ' ' GLU . 78.6 mt -58.98 -47.67 89.06 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.722 0 N-CA-C 109.771 -0.455 . . . . 0.0 109.771 176.395 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 55.2 t80 -53.58 -44.03 69.01 Favored 'General case' 0 C--O 1.244 0.8 0 C-N-CA 123.985 0.914 . . . . 0.0 109.857 177.323 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.615 ' HG ' ' O ' ' A' ' 16' ' ' GLU . 79.3 mt -65.94 -44.11 86.03 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 115.226 -0.897 . . . . 0.0 110.75 179.684 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.47 HG23 ' O ' ' A' ' 17' ' ' LEU . 84.9 t -64.02 -38.61 82.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 CA-C-N 116.508 -0.314 . . . . 0.0 110.457 179.406 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 22' ' ' GLU . . . . . 0.51 ' HG3' ' O ' ' A' ' 18' ' ' ILE . 48.6 mt-10 -63.8 -50.85 67.34 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-O 121.032 0.444 . . . . 0.0 110.576 177.86 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 31.0 mmmt -80.1 -48.2 13.61 Favored 'General case' 0 C--N 1.315 -0.915 0 N-CA-C 114.292 1.219 . . . . 0.0 114.292 -173.455 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 57.8 m-85 -97.83 -43.21 7.22 Favored 'General case' 0 C--N 1.297 -1.688 0 CA-C-O 121.388 0.613 . . . . 0.0 110.379 -174.459 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 120.39 -166.44 13.72 Favored Glycine 0 N--CA 1.431 -1.665 0 N-CA-C 109.643 -1.383 . . . . 0.0 109.643 -176.166 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 41.7 p90 -115.2 1.86 13.94 Favored 'General case' 0 C--N 1.304 -1.375 0 CA-C-O 121.317 0.58 . . . . 0.0 111.715 -178.74 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 21.1 m -97.72 -2.88 40.28 Favored 'General case' 0 C--N 1.309 -1.158 0 CA-C-O 122.472 1.129 . . . . 0.0 108.825 178.471 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 49.8 t60 -78.68 128.45 33.47 Favored 'General case' 0 N--CA 1.439 -1.021 0 CA-C-N 114.535 -1.211 . . . . 0.0 108.612 -179.187 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 13.7 t-80 -53.47 -48.44 68.89 Favored 'General case' 0 N--CA 1.472 0.663 0 N-CA-C 114.18 1.178 . . . . 0.0 114.18 -171.073 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 22.1 pttm -66.84 -27.04 67.23 Favored 'General case' 0 C--O 1.216 -0.668 0 C-N-CA 119.246 -0.982 . . . . 0.0 112.904 -179.435 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.508 HG22 ' HB3' ' A' ' 20' ' ' LEU . 59.4 t -67.98 -41.71 84.84 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.897 0 N-CA-C 109.025 -0.731 . . . . 0.0 109.025 178.697 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 66.3 mt -66.4 -36.31 77.04 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.646 0 N-CA-C 108.918 -0.771 . . . . 0.0 108.918 176.92 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 22.6 t -60.84 -46.28 91.18 Favored 'General case' 0 N--CA 1.44 -0.966 0 CA-C-N 115.462 -0.79 . . . . 0.0 110.253 178.402 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 70.6 m-85 -66.53 -30.57 70.91 Favored 'General case' 0 CA--C 1.516 -0.354 0 N-CA-C 111.799 0.296 . . . . 0.0 111.799 177.792 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 23.0 t -61.6 -35.66 78.5 Favored 'General case' 0 C--O 1.244 0.772 0 N-CA-C 109.657 -0.497 . . . . 0.0 109.657 179.153 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 79.8 mm-40 -64.34 -41.13 96.94 Favored 'General case' 0 N--CA 1.465 0.316 0 CA-C-O 121.408 0.623 . . . . 0.0 109.559 175.922 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 28.0 mm-40 -64.36 -43.85 93.28 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.363 -0.835 . . . . 0.0 111.007 -179.926 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.55 ' O ' ' HG ' ' A' ' 42' ' ' LEU . 4.3 mm? -62.81 -40.36 97.14 Favored 'General case' 0 CA--C 1.51 -0.591 0 CA-C-N 115.991 -0.55 . . . . 0.0 111.134 176.663 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 16.8 t70 -57.86 -44.92 86.91 Favored 'General case' 0 N--CA 1.473 0.71 0 CA-C-O 121.511 0.672 . . . . 0.0 109.935 177.235 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 98.2 mtt180 -60.04 -43.24 95.47 Favored 'General case' 0 C--N 1.316 -0.853 0 CA-C-N 115.125 -0.943 . . . . 0.0 111.529 177.075 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.561 ' HB3' HG12 ' A' ' 10' ' ' ILE . 98.1 mt -69.17 -38.81 78.9 Favored 'General case' 0 C--N 1.318 -0.804 0 CA-C-N 116.042 -0.526 . . . . 0.0 111.361 179.328 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.55 ' HG ' ' O ' ' A' ' 38' ' ' LEU . 95.9 mt -60.55 -35.28 75.65 Favored 'General case' 0 C--N 1.317 -0.825 0 CA-C-O 121.191 0.52 . . . . 0.0 110.298 175.743 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 43' ' ' ASN . . . . . 0.414 ' HA ' HD12 ' A' ' 46' ' ' ILE . 24.2 m-80 -68.64 -18.34 64.28 Favored 'General case' 0 C--N 1.314 -0.951 0 CA-C-N 115.772 -0.649 . . . . 0.0 112.087 176.437 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.497 ' O ' ' HB2' ' A' ' 47' ' ' GLU . 97.5 mt -75.33 -40.64 58.12 Favored 'General case' 0 C--O 1.214 -0.806 0 N-CA-C 108.585 -0.894 . . . . 0.0 108.585 175.296 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 91.8 mt -62.59 -38.46 90.23 Favored 'General case' 0 C--O 1.239 0.55 0 CA-C-O 120.971 0.415 . . . . 0.0 110.024 174.828 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.414 HD12 ' HA ' ' A' ' 43' ' ' ASN . 70.4 mt -57.45 -38.81 65.12 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.277 0 CA-C-N 115.651 -0.704 . . . . 0.0 110.514 176.484 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 47' ' ' GLU . . . . . 0.497 ' HB2' ' O ' ' A' ' 44' ' ' LEU . 37.0 mm-40 . . . . . 0 C--N 1.32 -0.705 0 CA-C-N 115.994 -0.548 . . . . 0.0 112.264 177.575 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 30.7 m . . . . . 0 C--O 1.225 -0.23 0 N-CA-C 112.812 0.671 . . . . 0.0 112.812 . . . . . . . . . 0 0 . 1 . 024 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 14.3 t -66.19 -31.59 72.52 Favored 'General case' 0 CA--C 1.549 0.913 0 CA-C-O 121.164 0.507 . . . . 0.0 110.056 178.433 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 34.7 mmtp -78.43 -34.56 47.8 Favored 'General case' 0 CA--C 1.51 -0.565 0 CA-C-O 121.223 0.535 . . . . 0.0 109.79 179.973 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 31.9 tp -69.25 -39.94 78.15 Favored 'General case' 0 C--N 1.316 -0.864 0 N-CA-C 108.854 -0.795 . . . . 0.0 108.854 177.38 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 54.8 t30 -66.02 -37.09 85.02 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.68 -0.691 . . . . 0.0 110.124 177.352 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 13.6 t70 -59.45 -39.89 85.07 Favored 'General case' 0 N--CA 1.474 0.755 0 CA-C-O 121.209 0.528 . . . . 0.0 109.744 175.948 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 9' ' ' ARG . . . . . 0.585 ' O ' ' HG2' ' A' ' 13' ' ' LYS . 81.3 mtp180 -64.32 -38.51 91.3 Favored 'General case' 0 C--O 1.215 -0.732 0 CA-C-N 115.582 -0.736 . . . . 0.0 110.551 176.966 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 77.5 mt -61.29 -45.18 99.12 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.643 0 CA-C-O 121.435 0.636 . . . . 0.0 109.378 176.081 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 35.9 tt0 -62.36 -39.1 92.05 Favored 'General case' 0 C--N 1.313 -1.015 0 CA-C-N 115.234 -0.894 . . . . 0.0 109.726 178.81 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -66.21 -26.75 67.53 Favored 'General case' 0 C--N 1.31 -1.148 0 CA-C-N 115.397 -0.82 . . . . 0.0 110.976 177.252 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.585 ' HG2' ' O ' ' A' ' 9' ' ' ARG . 74.4 mmtt -77.06 -33.86 57.13 Favored 'General case' 0 CA--C 1.504 -0.817 0 N-CA-C 108.901 -0.777 . . . . 0.0 108.901 178.207 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 72.0 mmtt -57.84 -53.77 54.41 Favored 'General case' 0 CA--C 1.513 -0.443 0 N-CA-C 108.377 -0.971 . . . . 0.0 108.377 176.303 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 32.0 mmmt -64.33 -35.56 81.25 Favored 'General case' 0 C--N 1.313 -1.02 0 CA-C-N 114.164 -1.38 . . . . 0.0 111.931 -176.884 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 16' ' ' GLU . . . . . 0.43 ' O ' ' HG ' ' A' ' 20' ' ' LEU . 4.1 tp10 -76.54 -47.38 22.86 Favored 'General case' 0 C--N 1.309 -1.168 0 CA-C-N 116.274 -0.421 . . . . 0.0 109.953 -176.734 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.49 ' O ' HG23 ' A' ' 21' ' ' VAL . 50.4 tp -62.51 -50.26 72.09 Favored 'General case' 0 N--CA 1.443 -0.788 0 CA-C-N 115.732 -0.667 . . . . 0.0 111.462 -176.844 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.516 ' O ' ' HG3' ' A' ' 22' ' ' GLU . 74.2 mt -59.47 -42.96 89.5 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.187 0 O-C-N 123.3 0.375 . . . . 0.0 110.082 -178.798 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 77.3 t80 -57.92 -42.47 84.88 Favored 'General case' 0 C--O 1.246 0.871 0 C-N-CA 123.669 0.788 . . . . 0.0 110.482 179.526 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.43 ' HG ' ' O ' ' A' ' 16' ' ' GLU . 81.1 mt -74.42 -32.81 62.8 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.378 179.439 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.49 HG23 ' O ' ' A' ' 17' ' ' LEU . 92.7 t -66.28 -34.19 68.5 Favored 'Isoleucine or valine' 0 C--O 1.24 0.57 0 CA-C-O 121.005 0.431 . . . . 0.0 110.088 176.743 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 22' ' ' GLU . . . . . 0.516 ' HG3' ' O ' ' A' ' 18' ' ' ILE . 34.6 mt-10 -68.6 -48.0 65.27 Favored 'General case' 0 C--N 1.318 -0.776 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.846 177.323 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 67.6 mttm -82.19 -47.9 11.94 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 114.029 1.122 . . . . 0.0 114.029 -175.912 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 95.9 m-85 -100.18 -45.03 5.76 Favored 'General case' 0 C--N 1.304 -1.385 0 CA-C-O 121.109 0.48 . . . . 0.0 110.497 -176.456 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 100.68 155.42 27.36 Favored Glycine 0 C--N 1.298 -1.537 0 CA-C-N 115.386 -0.825 . . . . 0.0 111.565 -177.138 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 49.8 t80 -83.22 81.02 8.88 Favored 'General case' 0 C--N 1.308 -1.207 0 N-CA-C 108.693 -0.854 . . . . 0.0 108.693 -179.036 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 27.7 m -133.79 -60.55 0.82 Allowed 'General case' 0 C--N 1.303 -1.417 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.351 -179.197 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 28' ' ' HIS . . . . . 0.432 ' CD2' ' HB3' ' A' ' 30' ' ' LYS . 3.1 p-80 -74.23 154.7 38.89 Favored 'General case' 0 C--O 1.254 1.294 0 C-N-CA 120.594 -0.442 . . . . 0.0 111.514 179.648 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 72.3 m80 -62.18 -22.48 65.93 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 114.543 1.312 . . . . 0.0 114.543 -173.156 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.432 ' HB3' ' CD2' ' A' ' 28' ' ' HIS . 24.6 ttpp -61.1 -47.56 85.74 Favored 'General case' 0 C--N 1.323 -0.546 0 C-N-CA 120.592 -0.443 . . . . 0.0 111.133 175.17 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 58.9 t -67.4 -35.57 73.94 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.626 0 N-CA-C 109.025 -0.731 . . . . 0.0 109.025 179.101 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 57.9 mt -64.18 -37.12 79.07 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.039 0 CA-C-N 115.566 -0.743 . . . . 0.0 110.766 178.352 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 88.0 p -64.13 -36.03 82.69 Favored 'General case' 0 C--N 1.341 0.236 0 O-C-N 122.24 -0.288 . . . . 0.0 111.37 179.906 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 34' ' ' PHE . . . . . 0.463 ' HB2' HD13 ' A' ' 17' ' ' LEU . 71.1 m-85 -63.76 -38.01 89.5 Favored 'General case' 0 CA--C 1.508 -0.654 0 C-N-CA 120.854 -0.338 . . . . 0.0 110.842 177.041 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 32.9 t -65.47 -40.69 93.46 Favored 'General case' 0 N--CA 1.44 -0.932 0 CA-C-N 116.124 -0.489 . . . . 0.0 109.834 179.032 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 45.4 mt-30 -69.81 -32.66 71.23 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.658 179.25 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 42.6 tt0 -72.26 -43.75 63.84 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.907 -0.588 . . . . 0.0 109.955 179.096 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.58 HD23 ' HB2' ' A' ' 13' ' ' LYS . 2.8 tm? -53.37 -51.6 61.96 Favored 'General case' 0 N--CA 1.473 0.718 0 C-N-CA 123.809 0.843 . . . . 0.0 108.739 175.199 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 17.7 t70 -60.09 -42.37 94.49 Favored 'General case' 0 C--N 1.311 -1.1 0 CA-C-N 114.259 -1.337 . . . . 0.0 111.686 179.265 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 32.8 ttt180 -72.15 -39.84 68.44 Favored 'General case' 0 C--N 1.314 -0.968 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.729 -175.902 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 10.8 mp -66.06 -32.85 74.55 Favored 'General case' 0 CA--C 1.515 -0.384 0 CA-C-O 120.771 0.319 . . . . 0.0 111.155 177.675 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 6.4 tt -67.18 -39.84 86.48 Favored 'General case' 0 C--N 1.319 -0.735 0 N-CA-C 108.25 -1.018 . . . . 0.0 108.25 176.845 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 18.9 m-80 -66.94 -23.43 65.96 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.658 -0.701 . . . . 0.0 112.55 177.808 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 87.7 mt -63.35 -39.05 93.47 Favored 'General case' 0 C--O 1.242 0.662 0 CA-C-O 120.562 0.22 . . . . 0.0 111.079 178.379 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 8.0 mp -68.98 -42.01 77.13 Favored 'General case' 0 CA--C 1.514 -0.42 0 N-CA-C 109.747 -0.464 . . . . 0.0 109.747 177.452 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 69.2 mt -59.16 -43.23 88.98 Favored 'Isoleucine or valine' 0 C--O 1.245 0.85 0 CA-C-N 115.595 -0.73 . . . . 0.0 109.621 178.668 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 29.5 tt0 . . . . . 0 N--CA 1.442 -0.841 0 CA-C-N 115.539 -0.755 . . . . 0.0 110.241 178.341 . . . . . . . . 0 0 . 1 . 025 nuclear build core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 27.8 m . . . . . 0 N--CA 1.482 1.14 0 N-CA-C 113.144 0.794 . . . . 0.0 113.144 . . . . . . . . . 0 0 . 1 . 025 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 14.1 t -63.09 -31.0 72.04 Favored 'General case' 0 N--CA 1.44 -0.974 0 CA-C-N 116.693 -0.231 . . . . 0.0 111.251 -179.964 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.46 -27.46 64.25 Favored 'General case' 0 C--N 1.348 0.517 0 CA-C-O 121.203 0.525 . . . . 0.0 109.845 -179.06 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.587 ' O ' ' HG2' ' A' ' 9' ' ' ARG . 47.9 tp -68.32 -46.35 70.49 Favored 'General case' 0 N--CA 1.437 -1.117 0 N-CA-C 109.346 -0.613 . . . . 0.0 109.346 178.443 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 52.0 t30 -67.59 -36.2 80.43 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-O 121.405 0.622 . . . . 0.0 109.475 178.482 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 9.5 t70 -55.3 -43.55 74.91 Favored 'General case' 0 C--O 1.244 0.786 0 CA-C-N 115.245 -0.889 . . . . 0.0 111.679 176.55 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 9' ' ' ARG . . . . . 0.587 ' HG2' ' O ' ' A' ' 6' ' ' LEU . 9.7 ptp180 -70.89 -29.47 65.56 Favored 'General case' 0 C--N 1.339 0.142 0 C-N-CA 120.237 -0.585 . . . . 0.0 110.059 -178.635 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.489 HG12 ' HB3' ' A' ' 41' ' ' LEU . 71.5 mt -70.1 -46.73 71.59 Favored 'Isoleucine or valine' 0 CA--C 1.505 -0.769 0 N-CA-C 109.163 -0.68 . . . . 0.0 109.163 179.273 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 27.3 tt0 -59.81 -38.92 83.31 Favored 'General case' 0 C--O 1.245 0.821 0 CA-C-O 121.451 0.643 . . . . 0.0 110.279 -179.163 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -72.37 -33.65 67.38 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 115.426 -0.806 . . . . 0.0 111.043 178.863 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 47.8 tptt -76.88 -39.38 51.23 Favored 'General case' 0 C--N 1.31 -1.136 0 C-N-CA 120.562 -0.455 . . . . 0.0 110.163 -177.788 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.483 ' HA ' HD11 ' A' ' 38' ' ' LEU . 18.1 ptmt -69.94 -32.03 70.09 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-N 116.409 -0.36 . . . . 0.0 111.747 -179.838 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 22.7 ptmt -70.78 -33.59 70.91 Favored 'General case' 0 N--CA 1.454 -0.255 0 C-N-CA 119.537 -0.865 . . . . 0.0 110.604 176.343 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 39.4 tt0 -65.64 -41.0 93.1 Favored 'General case' 0 C--O 1.239 0.519 0 CA-C-N 115.809 -0.632 . . . . 0.0 109.447 176.557 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.46 ' O ' HG23 ' A' ' 21' ' ' VAL . 61.5 tp -59.93 -52.36 65.74 Favored 'General case' 0 C--O 1.211 -0.93 0 CA-C-N 115.586 -0.734 . . . . 0.0 110.455 178.24 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.416 HG13 ' O ' ' A' ' 14' ' ' LYS . 91.2 mt -54.85 -43.79 69.33 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.968 0 C-N-CA 123.141 0.576 . . . . 0.0 110.883 -179.259 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 80.9 t80 -56.93 -49.0 76.97 Favored 'General case' 0 C--O 1.251 1.155 0 C-N-CA 124.05 0.94 . . . . 0.0 110.111 177.933 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 92.6 mt -72.86 -30.96 64.39 Favored 'General case' 0 C--N 1.314 -0.973 0 CA-C-N 115.352 -0.84 . . . . 0.0 111.372 -178.893 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.46 HG23 ' O ' ' A' ' 17' ' ' LEU . 52.4 t -59.09 -43.71 89.85 Favored 'Isoleucine or valine' 0 C--O 1.242 0.687 0 C-N-CA 122.754 0.421 . . . . 0.0 110.719 175.686 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 38.9 mt-10 -62.88 -42.63 99.84 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.441 -0.345 . . . . 0.0 110.548 179.27 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 66.2 mttm -82.73 -47.77 11.6 Favored 'General case' 0 C--N 1.316 -0.859 0 N-CA-C 114.193 1.183 . . . . 0.0 114.193 -175.382 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 99.1 m-85 -99.48 -26.47 14.1 Favored 'General case' 0 C--N 1.313 -0.983 0 N-CA-C 114.249 1.203 . . . . 0.0 114.249 -171.177 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 25' ' ' GLY . . . . . 0.432 ' O ' ' HA ' ' A' ' 21' ' ' VAL . . . 140.4 171.93 12.66 Favored Glycine 0 N--CA 1.434 -1.451 0 C-N-CA 119.041 -1.552 . . . . 0.0 112.849 178.119 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 79.5 m-85 -86.58 -23.46 25.77 Favored 'General case' 0 C--N 1.306 -1.317 0 CA-C-O 121.186 0.517 . . . . 0.0 109.91 -177.643 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 5.9 t -150.43 103.44 3.14 Favored 'General case' 0 N--CA 1.411 -2.406 0 CA-C-O 122.333 1.064 . . . . 0.0 108.601 179.921 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 83.8 t60 -148.05 158.5 44.1 Favored 'General case' 0 C--N 1.289 -2.065 0 N-CA-C 106.704 -1.591 . . . . 0.0 106.704 -179.026 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 98.1 m-70 -48.21 -50.21 30.11 Favored 'General case' 0 N--CA 1.49 1.571 0 C-N-CA 123.688 0.795 . . . . 0.0 112.187 -177.09 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 48.5 mmtm -57.68 -55.52 33.77 Favored 'General case' 0 N--CA 1.466 0.37 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.101 177.772 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 96.5 t -54.97 -47.77 76.17 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.65 0 CA-C-N 114.777 -1.101 . . . . 0.0 111.535 -176.923 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 81.0 mt -61.8 -41.58 91.19 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 C-N-CA 122.314 0.246 . . . . 0.0 110.74 -179.64 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 45.0 m -61.72 -37.59 84.77 Favored 'General case' 0 CA--C 1.551 0.995 0 CA-C-O 121.199 0.523 . . . . 0.0 111.236 -179.716 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 34' ' ' PHE . . . . . 0.455 ' HB2' HD13 ' A' ' 17' ' ' LEU . 45.3 m-85 -76.91 -31.88 57.02 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.891 0.377 . . . . 0.0 110.621 178.348 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 43.3 m -67.92 -42.26 81.35 Favored 'General case' 0 C--N 1.318 -0.785 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.512 179.766 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 13.5 mm-40 -66.78 -28.65 68.56 Favored 'General case' 0 C--O 1.239 0.532 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.465 178.954 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 37' ' ' GLU . . . . . 0.566 ' O ' ' HG ' ' A' ' 41' ' ' LEU . 7.4 tp10 -67.45 -43.89 80.0 Favored 'General case' 0 N--CA 1.433 -1.312 0 N-CA-C 108.329 -0.989 . . . . 0.0 108.329 177.028 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.483 HD11 ' HA ' ' A' ' 14' ' ' LYS . 63.7 mt -62.64 -41.83 99.26 Favored 'General case' 0 CA--C 1.495 -1.136 0 CA-C-N 115.966 -0.561 . . . . 0.0 111.591 177.531 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 17.2 t70 -57.82 -43.16 85.55 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-O 121.503 0.668 . . . . 0.0 109.363 178.108 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 40' ' ' ARG . . . . . 0.429 ' HD3' ' OE2' ' A' ' 37' ' ' GLU . 42.8 ttt180 -65.9 -47.01 76.23 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 114.531 -1.213 . . . . 0.0 110.831 178.391 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.566 ' HG ' ' O ' ' A' ' 37' ' ' GLU . 80.5 mt -66.7 -41.03 88.66 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 120.774 0.321 . . . . 0.0 110.857 -179.013 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 49.4 tp -60.46 -34.28 73.79 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 121.286 0.565 . . . . 0.0 109.93 175.167 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 8.8 t-20 -68.5 -27.59 66.26 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-N 115.652 -0.703 . . . . 0.0 109.933 -178.702 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 84.4 mt -67.55 -31.55 71.71 Favored 'General case' 0 C--N 1.315 -0.92 0 CA-C-N 115.786 -0.643 . . . . 0.0 109.737 177.329 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 87.1 mt -71.8 -32.65 67.83 Favored 'General case' 0 C--O 1.237 0.396 0 N-CA-C 109.047 -0.723 . . . . 0.0 109.047 174.359 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 75.4 mt -67.36 -26.21 35.42 Favored 'Isoleucine or valine' 0 C--O 1.243 0.748 0 CA-C-N 115.65 -0.705 . . . . 0.0 109.734 176.897 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 7.5 tp10 . . . . . 0 C--N 1.316 -0.869 0 N-CA-C 108.765 -0.828 . . . . 0.0 108.765 175.632 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.511 ' HA ' ' O ' ' A' ' 58' ' ' LEU . 25.9 ptm . . . . . 0 N--CA 1.472 0.652 0 N-CA-C 111.832 0.308 . . . . 0.0 111.832 . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 2' ' ' ASN . . . . . 0.527 ' OD1' HG22 ' A' ' 4' ' ' THR . 26.6 t-20 -127.53 131.71 50.03 Favored 'General case' 0 N--CA 1.438 -1.074 0 N-CA-C 110.006 -0.368 . . . . 0.0 110.006 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 35.0 m -69.76 -31.55 48.88 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.667 0 N-CA-C 114.177 1.177 . . . . 0.0 114.177 -175.339 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' THR . . . . . 0.527 HG22 ' OD1' ' A' ' 2' ' ' ASN . 2.6 t -77.66 -27.2 50.88 Favored 'General case' 0 C--O 1.235 0.325 0 C-N-CA 118.502 -1.279 . . . . 0.0 109.301 -178.114 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 5' ' ' LYS . . . . . 0.538 ' O ' ' HD3' ' A' ' 9' ' ' ARG . 35.8 mmtp -69.38 -41.12 76.94 Favored 'General case' 0 N--CA 1.452 -0.354 0 N-CA-C 108.454 -0.943 . . . . 0.0 108.454 174.074 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.542 ' O ' HG13 ' A' ' 10' ' ' ILE . 46.9 tp -59.17 -50.48 73.89 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.503 -0.772 . . . . 0.0 109.14 177.227 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 26.6 t-20 -54.98 -39.94 69.52 Favored 'General case' 0 N--CA 1.474 0.751 0 CA-C-N 115.584 -0.734 . . . . 0.0 110.909 178.174 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 19.2 t70 -65.39 -47.23 77.05 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.324 -0.853 . . . . 0.0 111.545 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' ARG . . . . . 0.538 ' HD3' ' O ' ' A' ' 5' ' ' LYS . 7.6 mpt_? -63.5 -28.28 69.84 Favored 'General case' 0 C--N 1.316 -0.867 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.635 178.199 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.542 HG13 ' O ' ' A' ' 6' ' ' LEU . 74.3 mt -71.1 -45.73 70.42 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.746 0 N-CA-C 108.524 -0.917 . . . . 0.0 108.524 174.406 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 11' ' ' GLU . . . . . 0.423 ' HA ' ' HD2' ' A' ' 14' ' ' LYS . 41.7 tt0 -57.99 -47.06 84.11 Favored 'General case' 0 C--N 1.322 -0.63 0 C-N-CA 124.207 1.003 . . . . 0.0 110.657 -178.913 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -65.4 -33.46 76.01 Favored 'General case' 0 C--N 1.313 -0.987 0 CA-C-N 115.442 -0.799 . . . . 0.0 111.245 178.752 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 3.5 tppp? -76.13 -37.01 58.55 Favored 'General case' 0 N--CA 1.446 -0.649 0 N-CA-C 109.285 -0.635 . . . . 0.0 109.285 -176.814 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.574 ' O ' HG13 ' A' ' 18' ' ' ILE . 94.3 mttt -53.08 -52.75 57.59 Favored 'General case' 0 N--CA 1.464 0.274 0 O-C-N 123.366 0.416 . . . . 0.0 110.108 171.006 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 32.1 mmmt -62.27 -40.59 96.73 Favored 'General case' 0 C--O 1.245 0.841 0 CA-C-N 115.893 -0.594 . . . . 0.0 111.917 -178.775 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.449 ' O ' ' HG ' ' A' ' 20' ' ' LEU . 39.6 tt0 -63.7 -43.87 95.34 Favored 'General case' 0 C--N 1.316 -0.876 0 CA-C-N 115.92 -0.582 . . . . 0.0 109.688 178.083 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.516 ' O ' HG23 ' A' ' 21' ' ' VAL . 2.0 tm? -60.48 -46.03 91.6 Favored 'General case' 0 CA--C 1.538 0.502 0 CA-C-N 115.447 -0.797 . . . . 0.0 109.303 179.922 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.574 HG13 ' O ' ' A' ' 14' ' ' LYS . 71.3 mt -56.32 -44.37 79.58 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.164 0 CA-C-O 121.274 0.559 . . . . 0.0 110.444 179.122 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 84.6 t80 -61.82 -39.78 92.98 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-N 115.473 -0.785 . . . . 0.0 110.41 -179.911 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.449 ' HG ' ' O ' ' A' ' 16' ' ' GLU . 88.3 mt -71.94 -31.33 66.22 Favored 'General case' 0 C--N 1.31 -1.122 0 CA-C-N 115.651 -0.704 . . . . 0.0 111.567 -179.154 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.516 HG23 ' O ' ' A' ' 17' ' ' LEU . 73.6 t -63.36 -36.04 74.61 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.56 0 N-CA-C 109.428 -0.582 . . . . 0.0 109.428 176.47 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.409 ' HG2' ' O ' ' A' ' 18' ' ' ILE . 15.3 mm-40 -68.09 -43.63 78.07 Favored 'General case' 0 C--N 1.309 -1.185 0 CA-C-N 115.696 -0.684 . . . . 0.0 111.246 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 54.0 mttp -82.9 -38.58 22.68 Favored 'General case' 0 C--N 1.32 -0.706 0 N-CA-C 115.255 1.576 . . . . 0.0 115.255 -179.583 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 97.4 m-85 -107.26 -38.52 5.95 Favored 'General case' 0 C--N 1.309 -1.176 0 N-CA-C 112.972 0.73 . . . . 0.0 112.972 -174.107 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 106.59 154.39 20.36 Favored Glycine 0 C--N 1.299 -1.475 0 N-CA-C 109.714 -1.354 . . . . 0.0 109.714 -175.808 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 52.9 t80 -75.96 -16.57 59.98 Favored 'General case' 0 C--N 1.308 -1.238 0 CA-C-O 121.317 0.579 . . . . 0.0 111.338 -175.472 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 4.2 m -86.37 -1.67 57.74 Favored 'General case' 0 CA--C 1.553 1.084 0 CA-C-O 121.749 0.785 . . . . 0.0 110.067 -179.721 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 86.7 t60 -78.56 136.35 37.52 Favored 'General case' 0 N--CA 1.439 -0.992 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.353 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 28.7 m80 -49.2 -46.54 45.84 Favored 'General case' 0 N--CA 1.482 1.152 0 C-N-CA 124.898 1.279 . . . . 0.0 112.979 -175.178 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 68.2 mttm -65.29 -40.31 93.68 Favored 'General case' 0 C--O 1.215 -0.748 0 C-N-CA 121.066 -0.253 . . . . 0.0 111.023 -179.05 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 58.5 t -67.08 -38.52 81.39 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.021 0 N-CA-C 109.737 -0.468 . . . . 0.0 109.737 -179.337 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 74.7 mt -62.86 -49.69 82.66 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.646 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.011 176.035 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 10.3 p -64.84 -36.66 85.05 Favored 'General case' 0 CA--C 1.544 0.741 0 N-CA-C 112.611 0.597 . . . . 0.0 112.611 -179.409 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 25.2 m-85 -69.38 -32.62 71.77 Favored 'General case' 0 C--O 1.219 -0.539 0 C-N-CA 120.224 -0.59 . . . . 0.0 110.418 175.663 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 69.9 m -64.81 -36.96 86.01 Favored 'General case' 0 N--CA 1.45 -0.45 0 N-CA-C 110.338 -0.245 . . . . 0.0 110.338 176.219 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 92.4 mt-30 -66.74 -37.31 84.41 Favored 'General case' 0 N--CA 1.466 0.366 0 CA-C-O 121.571 0.701 . . . . 0.0 109.511 176.985 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 37.9 tt0 -68.76 -42.01 78.06 Favored 'General case' 0 C--N 1.317 -0.825 0 CA-C-N 115.239 -0.892 . . . . 0.0 110.092 179.242 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.447 HD11 ' HG3' ' A' ' 14' ' ' LYS . 32.3 tp -63.17 -41.52 99.25 Favored 'General case' 0 C--N 1.318 -0.802 0 N-CA-C 109.042 -0.725 . . . . 0.0 109.042 177.793 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 12.0 t70 -60.81 -40.25 91.98 Favored 'General case' 0 C--O 1.215 -0.752 0 CA-C-N 114.86 -1.063 . . . . 0.0 110.603 175.808 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 42.8 ttm180 -59.28 -46.55 88.24 Favored 'General case' 0 CA--C 1.537 0.448 0 C-N-CA 123.197 0.599 . . . . 0.0 111.35 179.174 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.488 ' HB3' HG12 ' A' ' 10' ' ' ILE . 9.5 mp -71.99 -34.03 68.59 Favored 'General case' 0 C--N 1.323 -0.585 0 C-N-CA 120.124 -0.63 . . . . 0.0 111.643 179.008 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 6.4 tt -64.76 -40.1 94.72 Favored 'General case' 0 C--N 1.32 -0.705 0 N-CA-C 108.096 -1.076 . . . . 0.0 108.096 177.149 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 27.4 t-20 -60.6 -38.8 85.84 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 114.883 -1.053 . . . . 0.0 110.754 176.61 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 76.1 mt -55.99 -40.74 73.79 Favored 'General case' 0 CA--C 1.513 -0.469 0 O-C-N 123.746 0.653 . . . . 0.0 111.572 178.463 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 90.5 mt -57.22 -48.54 78.56 Favored 'General case' 0 C--O 1.222 -0.364 0 N-CA-C 109.702 -0.481 . . . . 0.0 109.702 177.981 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 63.1 mt -69.44 -43.45 80.81 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.9 0 CA-C-N 115.481 -0.781 . . . . 0.0 110.576 -178.567 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' GLU . . . . . 0.543 ' O ' HG22 ' A' ' 50' ' ' THR . 39.5 tt0 -62.5 -50.69 70.41 Favored 'General case' 0 C--N 1.316 -0.852 0 CA-C-N 116.057 -0.519 . . . . 0.0 112.145 -176.829 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.411 HD13 ' HA ' ' A' ' 48' ' ' LEU . 3.4 mm? -70.65 -34.74 72.37 Favored 'General case' 0 C--N 1.303 -1.422 0 C-N-CA 119.239 -0.984 . . . . 0.0 112.183 -179.124 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 61.1 mttm -70.5 -29.52 66.06 Favored 'General case' 0 N--CA 1.467 0.379 0 N-CA-C 112.163 0.431 . . . . 0.0 112.163 177.738 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' THR . . . . . 0.543 HG22 ' O ' ' A' ' 47' ' ' GLU . 3.3 t -76.53 -21.33 55.86 Favored 'General case' 0 CA--C 1.547 0.86 0 C-N-CA 120.822 -0.351 . . . . 0.0 110.137 -179.095 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 51' ' ' LYS . . . . . 0.515 ' O ' ' HG2' ' A' ' 53' ' ' LYS . 28.5 mtpp -90.06 -61.38 1.7 Allowed 'General case' 0 N--CA 1.419 -2.024 0 N-CA-C 107.402 -1.333 . . . . 0.0 107.402 176.491 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . 0.263 21.9 pttp 49.83 -23.42 0.0 OUTLIER 'General case' 0 N--CA 1.515 2.795 0 C-N-CA 128.488 2.715 . . . . 0.0 115.973 -177.287 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 53' ' ' LYS . . . . . 0.515 ' HG2' ' O ' ' A' ' 51' ' ' LYS . 20.2 ptmt -86.07 12.95 8.45 Favored 'General case' 0 C--N 1.301 -1.523 0 C-N-CA 125.869 1.667 . . . . 0.0 111.327 -179.764 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 19.8 mmm180 -122.4 143.69 49.5 Favored 'General case' 0 C--N 1.281 -2.37 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.216 -177.855 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 85.6 m-85 -54.12 -28.55 40.41 Favored 'General case' 0 N--CA 1.473 0.68 0 O-C-N 124.09 0.868 . . . . 0.0 109.01 174.627 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 2.7 m -51.19 -24.6 4.39 Favored 'General case' 0 CA--C 1.548 0.892 0 C-N-CA 126.437 1.895 . . . . 0.0 112.111 177.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 58.8 tp -61.93 -28.16 69.34 Favored 'General case' 0 CA--C 1.542 0.669 0 CA-C-O 121.819 0.819 . . . . 0.0 108.949 177.546 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.511 ' O ' ' HA ' ' A' ' 1' ' ' MET . 4.0 mp -100.18 -58.81 1.83 Allowed 'General case' 0 N--CA 1.438 -1.058 0 N-CA-C 107.508 -1.293 . . . . 0.0 107.508 174.676 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 8.6 pt-20 -85.3 62.39 7.46 Favored 'General case' 0 C--O 1.249 1.061 0 CA-C-O 122.276 1.036 . . . . 0.0 113.37 -177.929 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 3.8 p-80 -87.39 -26.67 23.21 Favored 'General case' 0 C--N 1.315 -0.921 0 CA-C-N 114.248 -1.342 . . . . 0.0 109.766 175.847 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 61' ' ' HIS . . . . . 0.447 ' O ' ' HB3' ' A' ' 62' ' ' HIS . 38.0 m80 -146.26 126.05 13.5 Favored 'General case' 0 CA--C 1.486 -1.514 0 N-CA-C 102.402 -3.185 . . . . 0.0 102.402 175.276 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 62' ' ' HIS . . . . . 0.447 ' HB3' ' O ' ' A' ' 61' ' ' HIS . 23.1 t60 75.89 130.25 0.05 OUTLIER 'General case' 0 N--CA 1.477 0.913 0 O-C-N 124.656 1.222 . . . . 0.0 109.213 -172.903 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 30.2 p80 -112.11 158.34 19.73 Favored 'General case' 0 C--N 1.298 -1.658 0 CA-C-N 116.537 -0.301 . . . . 0.0 110.746 -177.215 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 51.6 m80 . . . . . 0 N--CA 1.416 -2.144 0 N-CA-C 106.994 -1.484 . . . . 0.0 106.994 176.656 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 49.5 tpp . . . . . 0 N--CA 1.452 -0.337 0 N-CA-C 110.667 -0.123 . . . . 0.0 110.667 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 32.9 p30 -146.36 167.57 23.26 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 121.993 -0.442 . . . . 0.0 111.956 -176.902 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 34.4 m -73.67 -28.83 25.33 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.713 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.083 176.735 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 74.8 m -58.56 -54.73 43.8 Favored 'General case' 0 N--CA 1.431 -1.377 0 C-N-CA 123.926 0.89 . . . . 0.0 112.61 -175.628 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 92.1 mttt -70.39 -28.15 64.85 Favored 'General case' 0 C--N 1.302 -1.468 0 CA-C-N 115.976 -0.556 . . . . 0.0 111.408 -178.385 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 44.9 tp -69.52 -46.66 66.0 Favored 'General case' 0 C--N 1.318 -0.801 0 N-CA-C 108.711 -0.848 . . . . 0.0 108.711 176.123 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' ASN . . . . . 0.425 ' O ' ' HB ' ' A' ' 10' ' ' ILE . 7.8 t30 -60.3 -34.71 74.16 Favored 'General case' 0 N--CA 1.466 0.363 0 CA-C-N 115.448 -0.797 . . . . 0.0 109.747 178.151 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 27.3 t70 -60.24 -32.35 71.06 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 115.409 -0.814 . . . . 0.0 111.35 176.594 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 64.0 mtp180 -65.52 -42.23 92.23 Favored 'General case' 0 N--CA 1.471 0.625 0 N-CA-C 109.021 -0.733 . . . . 0.0 109.021 174.401 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.584 ' O ' ' HG2' ' A' ' 14' ' ' LYS . 1.7 mp -57.85 -49.34 81.36 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.209 0 CA-C-N 115.237 -0.892 . . . . 0.0 109.848 177.555 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 11' ' ' GLU . . . . . 0.591 ' O ' ' HG2' ' A' ' 15' ' ' LYS . 47.0 mt-10 -64.7 -29.52 70.52 Favored 'General case' 0 C--N 1.319 -0.752 0 N-CA-C 113.116 0.784 . . . . 0.0 113.116 -176.941 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -66.7 -34.41 77.79 Favored 'General case' 0 C--O 1.242 0.71 0 CA-C-O 121.677 0.751 . . . . 0.0 109.713 176.198 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.526 ' HB2' HD11 ' A' ' 38' ' ' LEU . 28.6 mtpp -76.95 -31.05 56.32 Favored 'General case' 0 N--CA 1.442 -0.863 0 N-CA-C 108.567 -0.901 . . . . 0.0 108.567 179.66 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.584 ' HG2' ' O ' ' A' ' 10' ' ' ILE . 31.6 mmmt -63.06 -38.75 92.43 Favored 'General case' 0 C--O 1.216 -0.709 0 CA-C-N 115.412 -0.813 . . . . 0.0 109.839 176.093 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.591 ' HG2' ' O ' ' A' ' 11' ' ' GLU . 33.7 mmtp -65.24 -32.52 74.24 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 109.71 -0.478 . . . . 0.0 109.71 178.97 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.495 ' O ' ' HG ' ' A' ' 20' ' ' LEU . 9.2 tp10 -74.06 -42.6 59.96 Favored 'General case' 0 N--CA 1.444 -0.731 0 N-CA-C 107.511 -1.292 . . . . 0.0 107.511 -179.02 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.417 ' O ' HG23 ' A' ' 21' ' ' VAL . 13.3 mt -56.49 -43.71 79.96 Favored 'General case' 0 C--O 1.212 -0.893 0 CA-C-N 114.771 -1.104 . . . . 0.0 112.224 175.872 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.488 HG13 ' O ' ' A' ' 14' ' ' LYS . 83.9 mt -56.09 -45.75 80.69 Favored 'Isoleucine or valine' 0 C--O 1.242 0.698 0 O-C-N 123.367 0.417 . . . . 0.0 110.075 177.244 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 76.0 t80 -61.86 -44.79 96.1 Favored 'General case' 0 CA--C 1.533 0.314 0 CA-C-N 115.831 -0.622 . . . . 0.0 109.993 176.652 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.495 ' HG ' ' O ' ' A' ' 16' ' ' GLU . 84.4 mt -62.95 -43.68 98.13 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.546 -179.407 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.417 HG23 ' O ' ' A' ' 17' ' ' LEU . 96.8 t -60.27 -41.46 87.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 CA-C-O 120.78 0.324 . . . . 0.0 110.363 176.556 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 49.0 mt-10 -68.65 -43.18 76.78 Favored 'General case' 0 C--N 1.309 -1.167 0 N-CA-C 112.485 0.55 . . . . 0.0 112.485 177.282 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 20.9 tptm -80.39 -45.76 17.16 Favored 'General case' 0 N--CA 1.42 -1.954 0 N-CA-C 113.303 0.853 . . . . 0.0 113.303 -172.949 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 87.5 m-85 -106.49 -34.86 7.26 Favored 'General case' 0 C--N 1.313 -1.0 0 CA-C-O 120.985 0.421 . . . . 0.0 111.034 -175.852 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 118.05 161.49 11.97 Favored Glycine 0 C--N 1.299 -1.479 0 N-CA-C 111.326 -0.71 . . . . 0.0 111.326 -179.259 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 52.8 p90 -74.71 -36.81 62.7 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 117.525 0.663 . . . . 0.0 110.249 179.187 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 8.4 t -94.07 71.66 3.98 Favored 'General case' 0 N--CA 1.424 -1.76 0 CA-C-O 123.329 1.538 . . . . 0.0 108.96 178.584 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' HIS . . . . . 0.415 ' O ' HG13 ' A' ' 32' ' ' ILE . 36.7 t60 -137.96 130.74 29.78 Favored 'General case' 0 C--N 1.294 -1.841 0 N-CA-C 105.862 -1.903 . . . . 0.0 105.862 178.738 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 12.5 t-80 -53.03 -45.35 67.97 Favored 'General case' 0 C--N 1.318 -0.796 0 N-CA-C 113.47 0.915 . . . . 0.0 113.47 -171.334 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 33.5 mmtp -66.05 -34.96 79.26 Favored 'General case' 0 C--N 1.32 -0.695 0 C-N-CA 120.333 -0.547 . . . . 0.0 112.203 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 63.6 t -67.34 -39.66 83.22 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.917 0 N-CA-C 108.794 -0.817 . . . . 0.0 108.794 178.153 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.415 HG13 ' O ' ' A' ' 28' ' ' HIS . 70.6 mt -62.58 -42.4 95.78 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.684 0 CA-C-N 115.527 -0.76 . . . . 0.0 109.902 176.737 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 65.8 p -65.81 -33.22 75.34 Favored 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 120.511 -0.476 . . . . 0.0 111.56 178.315 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 44.4 m-85 -70.05 -33.64 72.21 Favored 'General case' 0 C--O 1.213 -0.832 0 C-N-CA 120.69 -0.404 . . . . 0.0 110.556 175.894 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 22.9 t -60.91 -41.07 95.41 Favored 'General case' 0 C--N 1.322 -0.614 0 N-CA-C 109.093 -0.706 . . . . 0.0 109.093 177.618 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' GLN . . . . . 0.484 ' O ' ' HB3' ' A' ' 39' ' ' ASP . 73.4 mt-30 -67.62 -32.67 73.54 Favored 'General case' 0 N--CA 1.462 0.173 0 CA-C-O 121.309 0.576 . . . . 0.0 110.13 178.537 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 33.8 tt0 -71.32 -45.22 63.53 Favored 'General case' 0 C--N 1.314 -0.947 0 CA-C-N 115.909 -0.587 . . . . 0.0 109.739 178.041 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.526 HD11 ' HB2' ' A' ' 13' ' ' LYS . 4.2 mm? -59.74 -32.62 70.73 Favored 'General case' 0 CA--C 1.508 -0.64 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.98 176.453 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 39' ' ' ASP . . . . . 0.484 ' HB3' ' O ' ' A' ' 36' ' ' GLN . 8.3 t70 -57.81 -48.13 80.63 Favored 'General case' 0 C--N 1.317 -0.826 0 O-C-N 123.901 0.751 . . . . 0.0 109.561 175.647 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 18.2 mmt180 -70.39 -41.12 73.43 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.489 -0.778 . . . . 0.0 111.431 -177.97 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -61.68 -44.45 96.92 Favored 'General case' 0 N--CA 1.467 0.41 0 O-C-N 123.41 0.444 . . . . 0.0 110.775 176.16 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 60.0 tp -65.14 -32.36 74.01 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.338 0.589 . . . . 0.0 110.191 179.026 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 65.0 t30 -70.57 -23.22 62.55 Favored 'General case' 0 N--CA 1.432 -1.359 0 CA-C-N 115.965 -0.561 . . . . 0.0 111.109 -178.132 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 96.1 mt -56.2 -47.21 78.81 Favored 'General case' 0 N--CA 1.471 0.623 0 O-C-N 123.082 0.239 . . . . 0.0 111.371 179.746 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.535 HD23 ' H ' ' A' ' 45' ' ' LEU . 0.7 OUTLIER -71.71 -33.98 69.21 Favored 'General case' 0 C--O 1.211 -0.922 0 C-N-CA 120.09 -0.644 . . . . 0.0 111.707 179.741 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 72.3 mt -65.69 -49.1 79.75 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.607 0 CA-C-O 121.33 0.586 . . . . 0.0 109.584 178.098 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 9.1 tp10 -60.46 -49.11 78.87 Favored 'General case' 0 C--N 1.318 -0.793 0 C-N-CA 124.464 1.106 . . . . 0.0 110.354 -179.457 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -67.26 -38.78 85.68 Favored 'General case' 0 N--CA 1.443 -0.792 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.272 -178.411 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 88.5 tttt -64.53 -30.93 71.96 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-O 120.876 0.369 . . . . 0.0 110.652 -179.066 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 28.4 m -75.36 -36.34 60.98 Favored 'General case' 0 CA--C 1.552 1.052 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.894 -179.424 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 63.2 mttp -80.26 -53.54 6.56 Favored 'General case' 0 N--CA 1.438 -1.042 0 O-C-N 122.106 -0.372 . . . . 0.0 110.114 177.286 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 65.5 pttt 49.13 13.71 0.07 Allowed 'General case' 0 N--CA 1.505 2.284 0 C-N-CA 127.792 2.437 . . . . 0.0 114.281 -178.472 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 58.7 pttt -112.78 8.88 18.98 Favored 'General case' 0 C--N 1.296 -1.73 0 CA-C-O 121.093 0.473 . . . . 0.0 110.672 -175.941 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 32.4 mtm180 -101.07 161.54 13.53 Favored 'General case' 0 C--N 1.312 -1.053 0 C-N-CA 119.567 -0.853 . . . . 0.0 110.354 -178.149 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 8.0 p90 -64.03 -3.3 2.5 Favored 'General case' 0 C--N 1.31 -1.143 0 C-N-CA 124.421 1.088 . . . . 0.0 112.867 179.169 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 56' ' ' SER . . . . . 0.436 ' HA ' ' HG3' ' A' ' 59' ' ' GLU . 12.0 m -64.18 -15.71 60.43 Favored 'General case' 0 CA--C 1.538 0.511 0 C-N-CA 123.922 0.889 . . . . 0.0 111.829 178.735 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 90.2 mt -77.71 -13.34 59.93 Favored 'General case' 0 C--O 1.218 -0.561 0 N-CA-C 108.888 -0.782 . . . . 0.0 108.888 176.381 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 3.5 mp -108.27 -81.24 0.57 Allowed 'General case' 0 N--CA 1.432 -1.368 0 N-CA-C 107.234 -1.395 . . . . 0.0 107.234 175.337 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 59' ' ' GLU . . . . . 0.436 ' HG3' ' HA ' ' A' ' 56' ' ' SER 0.313 43.8 mt-10 39.53 -89.7 0.01 OUTLIER 'General case' 0 C--O 1.239 0.547 0 N-CA-C 116.308 1.966 . . . . 0.0 116.308 -174.763 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 13.6 t-80 -143.55 151.22 39.96 Favored 'General case' 0 C--N 1.275 -2.661 0 N-CA-C 107.481 -1.303 . . . . 0.0 107.481 -176.653 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 40.7 m-70 -69.11 -43.66 74.02 Favored 'General case' 0 C--N 1.316 -0.874 0 C-N-CA 120.545 -0.462 . . . . 0.0 110.863 -178.545 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 48.8 t-80 -94.75 126.85 40.33 Favored 'General case' 0 C--N 1.312 -1.033 0 N-CA-C 109.439 -0.578 . . . . 0.0 109.439 176.293 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 26.7 m-70 -82.19 100.11 9.66 Favored 'General case' 0 C--N 1.307 -1.272 0 CA-C-O 121.253 0.549 . . . . 0.0 110.774 177.136 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 81.6 t60 . . . . . 0 C--N 1.294 -1.835 0 N-CA-C 107.4 -1.333 . . . . 0.0 107.4 178.151 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 45.5 ttm . . . . . 0 CA--C 1.518 -0.272 0 N-CA-C 109.46 -0.57 . . . . 0.0 109.46 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 2.2 m-20 -109.77 131.69 54.83 Favored 'General case' 0 C--N 1.311 -1.074 0 N-CA-C 108.24 -1.022 . . . . 0.0 108.24 177.032 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 28.0 m -70.03 -31.88 49.32 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.965 0 C-N-CA 120.835 -0.346 . . . . 0.0 110.793 -179.766 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 11.1 t -64.19 -35.95 82.46 Favored 'General case' 0 N--CA 1.445 -0.715 0 N-CA-C 109.303 -0.628 . . . . 0.0 109.303 176.765 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' LYS . . . . . 0.433 ' O ' ' HG3' ' A' ' 9' ' ' ARG . 55.2 mttm -78.32 -27.33 47.14 Favored 'General case' 0 N--CA 1.437 -1.124 0 N-CA-C 112.933 0.716 . . . . 0.0 112.933 178.759 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 43.0 tp -66.48 -45.78 78.51 Favored 'General case' 0 C--N 1.313 -0.979 0 N-CA-C 108.331 -0.988 . . . . 0.0 108.331 175.033 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' ASN . . . . . 0.483 ' O ' ' HB ' ' A' ' 10' ' ' ILE . 0.2 OUTLIER -67.21 -31.93 72.65 Favored 'General case' 0 CA--C 1.539 0.538 0 N-CA-C 108.93 -0.767 . . . . 0.0 108.93 177.62 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 17.1 t70 -58.66 -37.96 77.12 Favored 'General case' 0 N--CA 1.479 1.016 0 C-N-CA 123.568 0.747 . . . . 0.0 110.558 176.037 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' ARG . . . . . 0.433 ' HG3' ' O ' ' A' ' 5' ' ' LYS . 97.2 mtt180 -65.79 -37.5 86.47 Favored 'General case' 0 CA--C 1.507 -0.684 0 CA-C-N 116.062 -0.517 . . . . 0.0 109.687 177.605 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.519 HG12 ' HB3' ' A' ' 41' ' ' LEU . 68.4 mt -60.26 -47.11 93.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 N-CA-C 108.756 -0.831 . . . . 0.0 108.756 176.292 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 11' ' ' GLU . . . . . 0.445 ' HG2' ' O ' ' A' ' 7' ' ' ASN . 38.5 mm-40 -58.48 -45.81 87.91 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.44 -0.8 . . . . 0.0 111.13 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -67.51 -30.53 70.23 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.983 179.004 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 18.6 tptm -76.6 -34.32 58.39 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 109.622 -0.51 . . . . 0.0 109.622 -178.702 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.547 ' O ' HG13 ' A' ' 18' ' ' ILE . 91.9 mttt -59.66 -49.21 78.63 Favored 'General case' 0 C--O 1.217 -0.656 0 CA-C-N 115.973 -0.558 . . . . 0.0 109.622 173.85 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.453 ' HD3' HD12 ' A' ' 18' ' ' ILE . 75.0 mmtt -65.2 -32.49 74.2 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.356 -179.52 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.558 ' O ' ' HG ' ' A' ' 20' ' ' LEU . 34.7 tt0 -69.89 -43.66 71.32 Favored 'General case' 0 C--N 1.32 -0.709 0 N-CA-C 107.36 -1.348 . . . . 0.0 107.36 -179.671 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.447 ' O ' HG23 ' A' ' 21' ' ' VAL . 11.5 mt -61.66 -41.28 97.32 Favored 'General case' 0 N--CA 1.439 -1.002 0 CA-C-N 114.566 -1.197 . . . . 0.0 112.487 176.37 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.547 HG13 ' O ' ' A' ' 14' ' ' LYS . 79.2 mt -56.95 -43.35 80.51 Favored 'Isoleucine or valine' 0 C--O 1.239 0.551 0 N-CA-C 109.995 -0.372 . . . . 0.0 109.995 177.171 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 79.7 t80 -64.98 -39.77 93.98 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.705 177.26 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.558 ' HG ' ' O ' ' A' ' 16' ' ' GLU . 84.9 mt -66.02 -38.71 89.14 Favored 'General case' 0 C--N 1.31 -1.12 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.827 178.766 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.447 HG23 ' O ' ' A' ' 17' ' ' LEU . 64.0 t -63.33 -32.39 56.31 Favored 'Isoleucine or valine' 0 CA--C 1.554 1.116 0 CA-C-O 121.302 0.573 . . . . 0.0 110.12 173.795 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 18.5 mm-40 -68.08 -52.46 34.85 Favored 'General case' 0 C--N 1.317 -0.809 0 O-C-N 121.864 -0.522 . . . . 0.0 110.972 175.338 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 34.7 mmtp -77.78 -47.55 18.71 Favored 'General case' 0 C--N 1.32 -0.717 0 N-CA-C 114.141 1.163 . . . . 0.0 114.141 -176.264 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 69.2 m-85 -100.79 -40.86 7.11 Favored 'General case' 0 C--N 1.301 -1.513 0 CA-C-O 120.982 0.42 . . . . 0.0 110.596 -175.982 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' GLY . . . . . 0.405 ' HA2' ' O ' ' A' ' 21' ' ' VAL . . . 106.86 -147.68 16.26 Favored Glycine 0 C--N 1.301 -1.38 0 N-CA-C 111.171 -0.772 . . . . 0.0 111.171 -179.371 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 38.1 p90 -124.58 177.4 5.96 Favored 'General case' 0 C--N 1.304 -1.376 0 N-CA-C 108.751 -0.833 . . . . 0.0 108.751 177.537 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 41.1 p 56.99 20.58 5.5 Favored 'General case' 0 N--CA 1.484 1.254 0 C-N-CA 124.904 1.281 . . . . 0.0 111.6 -173.699 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 39.4 t60 -104.84 132.56 50.93 Favored 'General case' 0 N--CA 1.429 -1.517 0 N-CA-C 107.465 -1.309 . . . . 0.0 107.465 -177.966 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 11.6 m170 -50.12 -45.48 52.91 Favored 'General case' 0 N--CA 1.488 1.453 0 N-CA-C 114.078 1.14 . . . . 0.0 114.078 -173.858 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 55.9 mttm -62.74 -49.46 74.94 Favored 'General case' 0 C--N 1.322 -0.619 0 N-CA-C 109.268 -0.641 . . . . 0.0 109.268 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 58.8 t -60.85 -44.55 97.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 115.348 -0.842 . . . . 0.0 110.817 -178.776 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 87.7 mt -57.76 -44.6 86.23 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.521 0 CA-C-O 121.107 0.48 . . . . 0.0 110.194 177.641 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' SER . . . . . 0.456 ' O ' ' HG3' ' A' ' 37' ' ' GLU . 41.3 m -64.42 -39.17 93.32 Favored 'General case' 0 C--N 1.316 -0.848 0 CA-C-N 115.83 -0.623 . . . . 0.0 111.517 -179.799 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 42.2 m-85 -70.97 -36.05 72.39 Favored 'General case' 0 C--O 1.238 0.464 0 CA-C-O 120.948 0.404 . . . . 0.0 110.617 177.498 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 27.7 t -63.22 -40.94 98.89 Favored 'General case' 0 C--N 1.319 -0.749 0 C-N-CA 123.924 0.89 . . . . 0.0 110.415 -179.686 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 78.1 mt-30 -67.42 -31.56 71.84 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.463 -0.335 . . . . 0.0 111.314 178.201 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' GLU . . . . . 0.57 ' O ' ' HG ' ' A' ' 41' ' ' LEU . 50.0 mt-10 -67.12 -37.47 83.92 Favored 'General case' 0 C--O 1.214 -0.776 0 N-CA-C 109.515 -0.55 . . . . 0.0 109.515 176.552 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -60.58 -45.37 94.21 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 108.906 -0.776 . . . . 0.0 108.906 179.925 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 29.7 t70 -63.93 -39.48 94.26 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.903 -0.59 . . . . 0.0 110.911 177.262 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' ARG . . . . . 0.406 ' O ' ' HG ' ' A' ' 44' ' ' LEU . 30.1 tpt180 -63.99 -35.91 82.24 Favored 'General case' 0 CA--C 1.535 0.386 0 CA-C-N 116.504 -0.316 . . . . 0.0 110.652 175.808 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.57 ' HG ' ' O ' ' A' ' 37' ' ' GLU . 90.7 mt -63.54 -41.85 98.43 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 110.314 -0.254 . . . . 0.0 110.314 177.607 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -61.38 -41.71 97.55 Favored 'General case' 0 N--CA 1.475 0.814 0 CA-C-O 121.823 0.82 . . . . 0.0 109.924 174.264 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 22.2 m-80 -67.65 -17.42 64.59 Favored 'General case' 0 C--O 1.205 -1.288 0 CA-C-N 114.718 -1.128 . . . . 0.0 112.76 179.728 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.586 ' O ' ' HG ' ' A' ' 48' ' ' LEU . 88.6 mt -66.65 -42.37 86.75 Favored 'General case' 0 C--O 1.215 -0.715 0 N-CA-C 109.965 -0.383 . . . . 0.0 109.965 175.495 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -65.0 -37.72 88.58 Favored 'General case' 0 N--CA 1.47 0.555 0 CA-C-O 121.343 0.592 . . . . 0.0 109.426 177.41 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 74.2 mt -66.56 -41.37 88.29 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.695 0 CA-C-N 115.218 -0.901 . . . . 0.0 109.888 178.125 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 47' ' ' GLU . . . . . 0.429 ' HG2' ' HE2' ' A' ' 51' ' ' LYS . 35.2 tt0 -72.15 -31.46 66.0 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 115.61 -0.723 . . . . 0.0 110.721 -178.705 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.586 ' HG ' ' O ' ' A' ' 44' ' ' LEU . 28.0 mt -57.9 -35.32 70.87 Favored 'General case' 0 CA--C 1.51 -0.571 0 CA-C-O 121.194 0.521 . . . . 0.0 111.454 175.569 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 24.2 tptm -63.37 -43.88 96.35 Favored 'General case' 0 C--N 1.31 -1.124 0 CA-C-N 115.283 -0.871 . . . . 0.0 109.3 177.285 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 6.3 m -69.47 -17.56 63.63 Favored 'General case' 0 CA--C 1.562 1.438 0 CA-C-N 115.199 -0.91 . . . . 0.0 112.061 -177.427 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 51' ' ' LYS . . . . . 0.448 ' HG2' ' HA ' ' A' ' 48' ' ' LEU . 75.6 mmtt -65.72 -16.58 63.9 Favored 'General case' 0 N--CA 1.482 1.132 0 N-CA-C 112.368 0.507 . . . . 0.0 112.368 -177.516 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 52' ' ' LYS . . . . . 0.463 ' HA ' HD13 ' A' ' 57' ' ' LEU 0.287 23.2 pttm 62.72 -19.31 0.05 OUTLIER 'General case' 0 N--CA 1.505 2.299 0 C-N-CA 126.785 2.034 . . . . 0.0 115.297 -179.004 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 11.4 ptmm? -82.24 -4.4 57.03 Favored 'General case' 0 C--N 1.308 -1.236 0 CA-C-O 121.474 0.654 . . . . 0.0 111.424 177.005 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 22.9 mmm180 -88.8 144.2 26.39 Favored 'General case' 0 N--CA 1.434 -1.251 0 N-CA-C 107.635 -1.246 . . . . 0.0 107.635 174.974 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 62.7 m-85 -62.02 -31.95 72.39 Favored 'General case' 0 C--N 1.311 -1.087 0 N-CA-C 113.137 0.791 . . . . 0.0 113.137 -170.293 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 12.8 p -67.34 -13.54 62.09 Favored 'General case' 0 C--N 1.316 -0.851 0 N-CA-C 114.211 1.189 . . . . 0.0 114.211 -176.328 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.463 HD13 ' HA ' ' A' ' 52' ' ' LYS . 10.3 tt -87.25 -30.82 20.64 Favored 'General case' 0 N--CA 1.45 -0.427 0 C-N-CA 119.061 -1.056 . . . . 0.0 109.807 176.933 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 4.7 mp -81.75 -55.15 4.81 Favored 'General case' 0 C--N 1.316 -0.887 0 N-CA-C 108.083 -1.08 . . . . 0.0 108.083 178.429 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 37.6 mt-10 -102.52 89.87 3.67 Favored 'General case' 0 N--CA 1.425 -1.714 0 N-CA-C 107.689 -1.226 . . . . 0.0 107.689 -179.266 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 40.4 t-80 -106.69 101.6 11.04 Favored 'General case' 0 C--N 1.296 -1.73 0 CA-C-N 115.486 -0.779 . . . . 0.0 109.708 -175.636 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 41.2 m-70 -86.47 122.32 30.25 Favored 'General case' 0 C--N 1.294 -1.824 0 N-CA-C 108.185 -1.043 . . . . 0.0 108.185 178.88 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 33.9 t-80 -97.78 102.06 13.72 Favored 'General case' 0 C--N 1.287 -2.122 0 N-CA-C 108.799 -0.815 . . . . 0.0 108.799 -178.755 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 6.7 t60 -96.18 112.99 24.55 Favored 'General case' 0 C--N 1.298 -1.668 0 N-CA-C 107.657 -1.238 . . . . 0.0 107.657 178.597 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 4.9 t60 . . . . . 0 C--N 1.289 -2.063 0 N-CA-C 106.791 -1.559 . . . . 0.0 106.791 -179.047 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 86.4 mmm . . . . . 0 CA--C 1.51 -0.558 0 CA-C-O 120.745 0.307 . . . . 0.0 110.706 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 1.5 m-20 -76.54 86.88 3.24 Favored 'General case' 0 C--N 1.318 -0.795 0 CA-C-N 116.171 -0.468 . . . . 0.0 109.911 -176.494 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 26.9 m -66.82 -17.92 23.4 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.636 0 N-CA-C 112.252 0.464 . . . . 0.0 112.252 -178.198 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 8.8 t -62.61 -27.27 69.08 Favored 'General case' 0 C--N 1.318 -0.776 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.329 175.163 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 7.0 mtpm? -75.84 -28.73 58.34 Favored 'General case' 0 N--CA 1.445 -0.676 0 N-CA-C 109.7 -0.481 . . . . 0.0 109.7 -179.755 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.458 ' O ' HG13 ' A' ' 10' ' ' ILE . 2.0 tm? -70.13 -40.32 74.89 Favored 'General case' 0 N--CA 1.448 -0.539 0 N-CA-C 107.118 -1.438 . . . . 0.0 107.118 177.302 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 24.9 t-20 -60.48 -40.71 92.28 Favored 'General case' 0 C--O 1.244 0.782 0 CA-C-N 115.574 -0.739 . . . . 0.0 110.104 176.212 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 15.2 t70 -61.49 -40.47 94.7 Favored 'General case' 0 C--O 1.244 0.807 0 CA-C-N 115.28 -0.873 . . . . 0.0 110.967 176.096 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 73.2 mtp180 -62.65 -40.17 96.21 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.721 -0.672 . . . . 0.0 110.418 176.209 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.458 HG13 ' O ' ' A' ' 6' ' ' LEU . 71.2 mt -60.74 -46.61 95.71 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.339 0 N-CA-C 109.495 -0.558 . . . . 0.0 109.495 177.014 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 16.5 mm-40 -55.94 -44.79 78.74 Favored 'General case' 0 N--CA 1.469 0.49 0 O-C-N 123.264 0.352 . . . . 0.0 111.295 177.369 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -63.34 -37.64 88.07 Favored 'General case' 0 C--O 1.242 0.667 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.723 -179.791 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 50.9 tptt -72.61 -36.33 68.07 Favored 'General case' 0 N--CA 1.449 -0.483 0 CA-C-N 115.931 -0.577 . . . . 0.0 109.581 -178.601 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.416 ' HG2' HD11 ' A' ' 38' ' ' LEU . 9.3 mtpm? -62.26 -48.02 81.75 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.743 -0.662 . . . . 0.0 110.654 176.908 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 30.0 mtpp -59.28 -39.84 84.18 Favored 'General case' 0 C--O 1.25 1.108 0 CA-C-O 121.32 0.581 . . . . 0.0 110.167 177.093 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.497 ' O ' ' HG ' ' A' ' 20' ' ' LEU . 36.4 tt0 -66.48 -50.61 62.72 Favored 'General case' 0 N--CA 1.442 -0.843 0 CA-C-N 115.046 -0.979 . . . . 0.0 110.557 179.486 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.48 ' O ' HG23 ' A' ' 21' ' ' VAL . 52.7 tp -59.52 -41.31 89.7 Favored 'General case' 0 C--O 1.215 -0.718 0 CA-C-N 116.464 -0.335 . . . . 0.0 111.757 -177.753 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 79.1 mt -56.65 -43.1 78.21 Favored 'Isoleucine or valine' 0 C--O 1.238 0.484 0 CA-C-O 120.891 0.376 . . . . 0.0 110.018 176.96 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 85.5 t80 -67.26 -40.87 86.29 Favored 'General case' 0 CA--C 1.541 0.624 0 CA-C-N 115.767 -0.651 . . . . 0.0 110.688 178.03 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.51 HD13 ' CD2' ' A' ' 34' ' ' PHE . 85.1 mt -65.65 -37.4 86.42 Favored 'General case' 0 C--N 1.318 -0.773 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.514 -179.242 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.48 HG23 ' O ' ' A' ' 17' ' ' LEU . 87.6 t -64.04 -37.98 81.24 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.431 0 CA-C-O 121.247 0.546 . . . . 0.0 109.684 175.964 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 47.6 mm-40 -66.97 -40.34 87.41 Favored 'General case' 0 C--N 1.314 -0.973 0 CA-C-N 115.935 -0.575 . . . . 0.0 111.157 178.175 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 30.3 mmmt -82.26 -47.6 12.23 Favored 'General case' 0 C--N 1.31 -1.136 0 N-CA-C 113.564 0.95 . . . . 0.0 113.564 -175.922 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 90.3 m-85 -96.45 -39.03 9.78 Favored 'General case' 0 C--N 1.306 -1.307 0 CA-C-O 120.897 0.379 . . . . 0.0 111.967 -174.267 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 127.32 -169.45 19.16 Favored Glycine 0 N--CA 1.434 -1.435 0 N-CA-C 110.098 -1.201 . . . . 0.0 110.098 -177.414 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 38.6 p90 -113.22 -28.51 7.6 Favored 'General case' 0 C--N 1.309 -1.183 0 CA-C-N 117.424 0.612 . . . . 0.0 112.243 -179.314 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 12.6 p -89.94 -0.09 57.38 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.435 0.636 . . . . 0.0 111.252 178.753 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 23.1 t60 -66.66 127.01 30.77 Favored 'General case' 0 CA--C 1.538 0.5 0 N-CA-C 107.574 -1.269 . . . . 0.0 107.574 177.476 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 32.4 m170 -58.38 -39.51 79.8 Favored 'General case' 0 N--CA 1.477 0.925 0 N-CA-C 114.01 1.115 . . . . 0.0 114.01 -172.629 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 33.7 mmtp -65.79 -34.97 79.39 Favored 'General case' 0 C--O 1.214 -0.791 0 C-N-CA 120.775 -0.37 . . . . 0.0 111.507 177.724 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 94.5 t -66.24 -39.91 85.5 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.658 0 N-CA-C 109.588 -0.523 . . . . 0.0 109.588 178.231 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.432 ' O ' ' HG3' ' A' ' 36' ' ' GLN . 68.3 mt -64.45 -37.23 79.47 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.692 0 N-CA-C 109.084 -0.71 . . . . 0.0 109.084 175.87 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 29.2 t -65.97 -36.38 83.15 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.991 -0.549 . . . . 0.0 110.156 177.772 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' PHE . . . . . 0.51 ' CD2' HD13 ' A' ' 20' ' ' LEU . 20.8 m-85 -72.71 -30.46 64.21 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 121.034 0.445 . . . . 0.0 109.903 178.007 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 42.7 m -66.66 -37.98 85.91 Favored 'General case' 0 N--CA 1.446 -0.671 0 N-CA-C 109.002 -0.74 . . . . 0.0 109.002 175.263 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' GLN . . . . . 0.432 ' HG3' ' O ' ' A' ' 32' ' ' ILE . 79.2 mt-30 -63.12 -38.27 90.51 Favored 'General case' 0 C--O 1.223 -0.319 0 CA-C-N 115.722 -0.672 . . . . 0.0 109.647 175.596 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 37' ' ' GLU . . . . . 0.419 ' O ' ' HG ' ' A' ' 41' ' ' LEU . 25.7 mm-40 -64.48 -41.56 96.41 Favored 'General case' 0 C--O 1.219 -0.522 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.874 177.268 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.416 HD11 ' HG2' ' A' ' 14' ' ' LYS . 5.7 tt -59.45 -51.52 69.55 Favored 'General case' 0 C--O 1.237 0.411 0 N-CA-C 108.481 -0.933 . . . . 0.0 108.481 178.833 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 13.6 t70 -59.88 -40.25 88.06 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 115.204 -0.907 . . . . 0.0 111.167 178.326 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' ARG . . . . . 0.414 ' O ' ' HG ' ' A' ' 44' ' ' LEU . 38.1 ttm180 -64.12 -41.94 97.05 Favored 'General case' 0 C--N 1.311 -1.094 0 CA-C-N 115.561 -0.745 . . . . 0.0 111.092 179.425 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.419 ' HG ' ' O ' ' A' ' 37' ' ' GLU . 96.1 mt -66.35 -42.33 88.21 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.695 0.283 . . . . 0.0 110.398 177.263 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 63.1 tp -60.94 -42.52 98.34 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 121.137 0.494 . . . . 0.0 110.478 178.146 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 18.5 m-80 -68.38 -17.94 64.35 Favored 'General case' 0 C--N 1.314 -0.973 0 N-CA-C 112.92 0.711 . . . . 0.0 112.92 -179.447 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.414 ' HG ' ' O ' ' A' ' 40' ' ' ARG . 93.5 mt -64.73 -38.94 92.69 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 109.425 -0.583 . . . . 0.0 109.425 175.673 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 99.1 mt -62.83 -47.72 82.19 Favored 'General case' 0 CA--C 1.516 -0.328 0 N-CA-C 109.211 -0.663 . . . . 0.0 109.211 176.972 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 1.8 mp -58.71 -46.8 90.39 Favored 'Isoleucine or valine' 0 C--O 1.239 0.525 0 CA-C-N 115.135 -0.939 . . . . 0.0 111.08 179.341 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -60.66 -54.13 49.02 Favored 'General case' 0 CA--C 1.507 -0.702 0 N-CA-C 112.593 0.59 . . . . 0.0 112.593 179.218 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -63.16 -33.08 74.71 Favored 'General case' 0 C--N 1.322 -0.615 0 N-CA-C 112.251 0.463 . . . . 0.0 112.251 -177.713 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 55.5 tttp -67.14 -49.75 63.72 Favored 'General case' 0 C--N 1.316 -0.865 0 CA-C-N 115.857 -0.61 . . . . 0.0 110.195 177.131 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 19.5 m -76.79 -42.34 41.04 Favored 'General case' 0 CA--C 1.548 0.884 0 CA-C-N 115.728 -0.669 . . . . 0.0 112.124 -174.499 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 97.6 mttt -71.77 -45.15 62.58 Favored 'General case' 0 CA--C 1.507 -0.685 0 N-CA-C 109.733 -0.469 . . . . 0.0 109.733 -179.526 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 52' ' ' LYS . . . . . 0.406 ' HA ' ' HG ' ' A' ' 57' ' ' LEU . 12.8 ptmm? 41.78 32.11 0.25 Allowed 'General case' 0 N--CA 1.498 1.953 0 C-N-CA 126.38 1.872 . . . . 0.0 113.988 178.055 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 20.1 ptmt -101.07 -8.33 22.41 Favored 'General case' 0 C--N 1.285 -2.198 0 CA-C-N 115.564 -0.744 . . . . 0.0 111.894 -175.812 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 70.0 mtt180 -87.75 150.41 23.6 Favored 'General case' 0 C--N 1.313 -1.018 0 C-N-CA 120.409 -0.516 . . . . 0.0 109.704 176.685 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 95.2 m-85 -53.07 -23.14 7.12 Favored 'General case' 0 C--N 1.322 -0.61 0 N-CA-C 115.807 1.78 . . . . 0.0 115.807 -169.83 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 23.8 m -61.97 -24.92 67.31 Favored 'General case' 0 CA--C 1.548 0.9 0 CA-C-O 120.982 0.42 . . . . 0.0 111.369 178.004 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.406 ' HG ' ' HA ' ' A' ' 52' ' ' LYS . 4.0 mm? -99.24 -1.15 39.85 Favored 'General case' 0 C--O 1.24 0.605 0 CA-C-N 116.388 -0.369 . . . . 0.0 111.372 -178.682 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 7.9 mp -111.66 -58.37 2.13 Favored 'General case' 0 C--N 1.312 -1.024 0 CA-C-O 121.218 0.532 . . . . 0.0 110.254 -178.003 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 36.2 mt-10 -138.6 -159.48 0.96 Allowed 'General case' 0 N--CA 1.435 -1.202 0 N-CA-C 107.863 -1.162 . . . . 0.0 107.863 -173.665 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 36.6 m80 -104.9 102.52 12.04 Favored 'General case' 0 C--N 1.293 -1.865 0 N-CA-C 108.072 -1.084 . . . . 0.0 108.072 175.347 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 24.2 p80 -81.66 103.01 11.06 Favored 'General case' 0 N--CA 1.432 -1.371 0 N-CA-C 105.951 -1.87 . . . . 0.0 105.951 171.508 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 94.2 m-70 -50.67 108.24 0.22 Allowed 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 114.115 -1.402 . . . . 0.0 112.873 -171.279 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 49.9 t-80 -143.2 155.33 44.51 Favored 'General case' 0 C--N 1.295 -1.781 0 N-CA-C 106.533 -1.654 . . . . 0.0 106.533 -178.334 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 72.3 m-70 . . . . . 0 N--CA 1.421 -1.894 0 N-CA-C 109.102 -0.703 . . . . 0.0 109.102 -177.836 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.418 ' HG2' ' O ' ' A' ' 56' ' ' SER . 27.2 ptm . . . . . 0 CA--C 1.504 -0.814 0 N-CA-C 109.181 -0.674 . . . . 0.0 109.181 . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 44.8 t-20 -70.36 139.28 51.91 Favored 'General case' 0 C--N 1.307 -1.251 0 N-CA-C 108.91 -0.774 . . . . 0.0 108.91 -179.787 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 34.4 m -61.9 -26.27 39.45 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.195 0 N-CA-C 113.167 0.802 . . . . 0.0 113.167 -176.33 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 15.3 t -65.04 -26.82 68.42 Favored 'General case' 0 CA--C 1.542 0.661 0 CA-C-O 121.403 0.621 . . . . 0.0 109.858 177.504 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 75.4 mmtt -76.3 -28.01 56.81 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.765 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 35.8 tp -71.33 -38.16 71.7 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 107.768 -1.197 . . . . 0.0 107.768 175.792 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' ASN . . . . . 0.448 ' HA ' HD12 ' A' ' 10' ' ' ILE . 58.1 t30 -67.81 -31.43 71.29 Favored 'General case' 0 CA--C 1.545 0.788 0 CA-C-N 115.158 -0.928 . . . . 0.0 109.632 176.031 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 18.6 t70 -67.68 -38.5 83.79 Favored 'General case' 0 N--CA 1.47 0.567 0 CA-C-N 115.738 -0.664 . . . . 0.0 110.006 176.204 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 36.7 mmt180 -59.08 -38.79 80.32 Favored 'General case' 0 N--CA 1.472 0.667 0 CA-C-N 116.142 -0.481 . . . . 0.0 109.996 175.558 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.594 ' O ' ' HG3' ' A' ' 14' ' ' LYS . 80.5 mt -62.54 -50.55 79.36 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.496 0 CA-C-N 115.35 -0.841 . . . . 0.0 109.122 176.639 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 11' ' ' GLU . . . . . 0.531 ' O ' ' HG2' ' A' ' 15' ' ' LYS . 42.3 tt0 -54.11 -50.17 67.49 Favored 'General case' 0 CA--C 1.512 -0.513 0 O-C-N 123.814 0.696 . . . . 0.0 111.292 -178.408 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -59.02 -35.09 72.69 Favored 'General case' 0 C--N 1.318 -0.781 0 CA-C-N 115.632 -0.713 . . . . 0.0 111.159 179.82 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.419 ' O ' ' HB3' ' A' ' 16' ' ' GLU . 23.8 ttmm -77.64 -30.7 52.33 Favored 'General case' 0 N--CA 1.441 -0.882 0 CA-C-N 116.055 -0.52 . . . . 0.0 111.158 -179.31 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.594 ' HG3' ' O ' ' A' ' 10' ' ' ILE . 56.1 mtpt -62.42 -42.64 99.59 Favored 'General case' 0 C--N 1.32 -0.701 0 N-CA-C 109.395 -0.594 . . . . 0.0 109.395 176.638 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.531 ' HG2' ' O ' ' A' ' 11' ' ' GLU . 27.7 mmmt -65.29 -41.98 93.56 Favored 'General case' 0 C--O 1.246 0.896 0 N-CA-C 108.559 -0.904 . . . . 0.0 108.559 179.473 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.419 ' HB3' ' O ' ' A' ' 13' ' ' LYS . 36.4 tt0 -57.82 -50.78 72.13 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 113.744 -1.571 . . . . 0.0 110.484 178.32 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.537 ' O ' HG23 ' A' ' 21' ' ' VAL . 51.9 tp -60.3 -41.14 92.82 Favored 'General case' 0 N--CA 1.444 -0.764 0 CA-C-N 115.988 -0.551 . . . . 0.0 111.496 -179.07 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.522 ' O ' ' HG2' ' A' ' 22' ' ' GLU . 71.1 mt -59.43 -46.67 92.53 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.524 0 N-CA-C 109.61 -0.515 . . . . 0.0 109.61 177.826 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 62.1 t80 -57.16 -45.4 83.66 Favored 'General case' 0 C--O 1.242 0.676 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.592 177.93 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 90.4 mt -67.43 -34.74 77.84 Favored 'General case' 0 C--N 1.31 -1.131 0 CA-C-N 115.273 -0.876 . . . . 0.0 112.541 -178.345 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.537 HG23 ' O ' ' A' ' 17' ' ' LEU . 89.8 t -67.12 -39.21 82.69 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.51 0 N-CA-C 109.537 -0.542 . . . . 0.0 109.537 177.119 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.522 ' HG2' ' O ' ' A' ' 18' ' ' ILE . 33.1 mm-40 -62.24 -38.69 90.22 Favored 'General case' 0 C--N 1.316 -0.867 0 CA-C-N 115.877 -0.602 . . . . 0.0 110.548 177.876 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 73.8 mmtt -78.49 -47.52 17.22 Favored 'General case' 0 C--N 1.32 -0.687 0 N-CA-C 113.126 0.787 . . . . 0.0 113.126 -178.18 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 65.5 m-85 -89.02 -39.15 13.88 Favored 'General case' 0 C--N 1.307 -1.276 0 N-CA-C 114.065 1.135 . . . . 0.0 114.065 -175.187 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 129.04 156.23 8.83 Favored Glycine 0 C--N 1.303 -1.265 0 C-N-CA 119.849 -1.167 . . . . 0.0 111.306 -177.794 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 81.2 m-85 -65.77 123.24 19.21 Favored 'General case' 0 C--N 1.315 -0.893 0 CA-C-O 120.826 0.346 . . . . 0.0 111.397 179.181 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 15.1 m 62.48 24.87 14.82 Favored 'General case' 0 CA--C 1.564 1.498 0 CA-C-O 122.276 1.036 . . . . 0.0 111.403 176.375 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' HIS . . . . . 0.401 ' O ' ' HB ' ' A' ' 31' ' ' VAL . 43.2 t-80 -66.53 154.04 41.39 Favored 'General case' 0 CA--C 1.541 0.626 0 CA-C-N 115.787 -0.642 . . . . 0.0 109.857 176.406 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 60.6 t60 -48.38 -53.61 16.96 Favored 'General case' 0 CA--C 1.544 0.728 0 C-N-CA 124.924 1.29 . . . . 0.0 112.336 -177.713 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 75.5 mmtt -61.85 -38.28 87.64 Favored 'General case' 0 N--CA 1.468 0.45 0 CA-C-O 120.935 0.398 . . . . 0.0 110.274 179.541 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.401 ' HB ' ' O ' ' A' ' 28' ' ' HIS . 71.9 t -60.08 -43.3 92.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 CA-C-N 115.546 -0.752 . . . . 0.0 111.311 -179.28 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.5 ' O ' ' HG2' ' A' ' 36' ' ' GLN . 72.9 mt -61.47 -37.45 77.81 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.676 0 CA-C-O 121.092 0.472 . . . . 0.0 110.095 178.867 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 12.9 t -68.89 -38.46 79.65 Favored 'General case' 0 CA--C 1.547 0.859 0 CA-C-N 115.783 -0.644 . . . . 0.0 109.813 179.768 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 16.4 m-85 -69.7 -32.51 71.15 Favored 'General case' 0 N--CA 1.472 0.656 0 CA-C-O 121.323 0.582 . . . . 0.0 109.523 178.1 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 47.9 t -61.83 -37.88 86.1 Favored 'General case' 0 N--CA 1.445 -0.695 0 CA-C-N 115.342 -0.844 . . . . 0.0 109.427 177.502 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' GLN . . . . . 0.5 ' HG2' ' O ' ' A' ' 32' ' ' ILE . 81.0 mm-40 -66.85 -34.06 76.97 Favored 'General case' 0 C--O 1.219 -0.522 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.794 178.631 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 53.9 mt-10 -61.49 -48.12 82.54 Favored 'General case' 0 CA--C 1.518 -0.259 0 N-CA-C 109.625 -0.509 . . . . 0.0 109.625 176.534 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -64.37 -46.39 83.58 Favored 'General case' 0 C--O 1.239 0.541 0 CA-C-N 115.233 -0.894 . . . . 0.0 109.469 -178.475 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 12.9 t70 -56.38 -51.02 69.89 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.61 -0.723 . . . . 0.0 110.693 178.398 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' ARG . . . . . 0.487 ' HG2' ' O ' ' A' ' 36' ' ' GLN . 15.2 mmt180 -66.28 -33.28 75.39 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.212 -0.449 . . . . 0.0 112.077 -177.989 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -65.34 -41.67 93.68 Favored 'General case' 0 CA--C 1.542 0.642 0 CA-C-O 121.626 0.727 . . . . 0.0 109.072 177.949 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 6.5 tt -70.26 -35.05 73.53 Favored 'General case' 0 C--N 1.323 -0.579 0 N-CA-C 108.769 -0.826 . . . . 0.0 108.769 178.246 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 4.2 m-20 -65.55 -31.44 72.49 Favored 'General case' 0 N--CA 1.469 0.515 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.256 176.133 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.479 ' HG ' ' O ' ' A' ' 40' ' ' ARG . 95.0 mt -63.18 -45.5 91.5 Favored 'General case' 0 C--O 1.212 -0.904 0 N-CA-C 109.145 -0.687 . . . . 0.0 109.145 175.707 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 39.5 tp -57.18 -40.32 77.12 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.363 -0.835 . . . . 0.0 110.647 -179.568 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 74.3 mt -72.83 -50.5 32.75 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.917 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.476 178.13 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 30.8 tt0 -65.43 -31.96 73.33 Favored 'General case' 0 N--CA 1.462 0.128 0 CA-C-N 115.998 -0.546 . . . . 0.0 111.131 -174.472 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -59.21 -39.48 82.8 Favored 'General case' 0 C--N 1.324 -0.527 0 C-N-CA 122.755 0.422 . . . . 0.0 109.954 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 62.3 mttp -68.93 -31.71 70.8 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 121.24 0.543 . . . . 0.0 110.301 -179.724 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 18.3 m -71.02 -44.55 65.64 Favored 'General case' 0 N--CA 1.431 -1.416 0 CA-C-N 115.367 -0.833 . . . . 0.0 110.058 179.267 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 51' ' ' LYS . . . . . 0.5 ' C ' ' H ' ' A' ' 53' ' ' LYS . 12.1 ptmt -85.03 -59.15 2.42 Favored 'General case' 0 N--CA 1.422 -1.83 0 N-CA-C 113.207 0.817 . . . . 0.0 113.207 -174.171 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . 0.251 64.0 pttt 51.75 -23.07 0.0 OUTLIER 'General case' 0 N--CA 1.524 3.226 0 C-N-CA 127.612 2.365 . . . . 0.0 115.807 -174.586 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 53' ' ' LYS . . . . . 0.5 ' H ' ' C ' ' A' ' 51' ' ' LYS . 0.1 OUTLIER -67.25 -21.98 65.7 Favored 'General case' 0 C--N 1.306 -1.307 0 C-N-CA 125.885 1.674 . . . . 0.0 111.956 178.71 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 54' ' ' ARG . . . . . 0.4 ' C ' ' H ' ' A' ' 56' ' ' SER . 22.3 tpp180 -77.0 129.93 36.79 Favored 'General case' 0 N--CA 1.421 -1.91 0 N-CA-C 106.079 -1.823 . . . . 0.0 106.079 174.673 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 51.4 m-85 -70.8 29.68 0.04 OUTLIER 'General case' 0 N--CA 1.494 1.73 0 N-CA-C 114.605 1.335 . . . . 0.0 114.605 -172.34 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 56' ' ' SER . . . . . 0.418 ' O ' ' HG2' ' A' ' 1' ' ' MET . 41.5 t -69.6 -38.16 77.17 Favored 'General case' 0 C--N 1.285 -2.226 0 C-N-CA 123.82 0.848 . . . . 0.0 108.888 179.046 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.464 HD12 ' H ' ' A' ' 57' ' ' LEU . 4.5 mp -61.19 -34.07 74.48 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.1 -0.954 . . . . 0.0 109.33 -178.387 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 7.1 mp -87.61 -63.17 1.34 Allowed 'General case' 0 C--N 1.312 -1.058 0 CA-C-N 115.128 -0.942 . . . . 0.0 110.39 179.485 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 35.1 mt-10 -91.13 -100.22 0.11 Allowed 'General case' 0 C--N 1.314 -0.942 0 N-CA-C 112.959 0.726 . . . . 0.0 112.959 -172.673 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 56.0 t60 -162.03 151.37 15.91 Favored 'General case' 0 C--N 1.3 -1.559 0 C-N-CA 123.088 0.555 . . . . 0.0 109.757 -175.856 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 60.7 t-80 -140.35 141.13 35.69 Favored 'General case' 0 C--N 1.313 -0.988 0 N-CA-C 107.509 -1.293 . . . . 0.0 107.509 175.565 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 12.3 t60 -119.71 -81.98 0.64 Allowed 'General case' 0 C--N 1.299 -1.623 0 N-CA-C 107.694 -1.225 . . . . 0.0 107.694 177.519 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 28.5 m80 -147.94 179.92 7.37 Favored 'General case' 0 C--O 1.246 0.891 0 N-CA-C 108.615 -0.883 . . . . 0.0 108.615 177.579 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 57.5 m-70 . . . . . 0 N--CA 1.416 -2.142 0 N-CA-C 108.471 -0.937 . . . . 0.0 108.471 174.213 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 48.3 ttm . . . . . 0 C--O 1.222 -0.342 0 N-CA-C 108.312 -0.996 . . . . 0.0 108.312 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' ASN . . . . . 0.466 ' HB3' HG22 ' A' ' 4' ' ' THR . 92.7 m-20 -133.37 125.34 28.94 Favored 'General case' 0 C--N 1.315 -0.924 0 N-CA-C 110.075 -0.343 . . . . 0.0 110.075 -177.378 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 33.8 m -67.25 -25.55 34.04 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.621 0 O-C-N 123.021 0.2 . . . . 0.0 111.339 179.151 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' THR . . . . . 0.466 HG22 ' HB3' ' A' ' 2' ' ' ASN . 10.5 t -61.37 -33.08 73.06 Favored 'General case' 0 CA--C 1.541 0.625 0 CA-C-O 121.14 0.495 . . . . 0.0 110.703 178.178 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 5' ' ' LYS . . . . . 0.502 ' O ' ' HG3' ' A' ' 9' ' ' ARG 0.262 57.7 mmtt -77.73 -27.09 50.42 Favored 'General case' 0 N--CA 1.436 -1.163 0 N-CA-C 112.457 0.54 . . . . 0.0 112.457 176.467 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.44 ' O ' HG13 ' A' ' 10' ' ' ILE . 32.8 tp -68.38 -43.12 78.06 Favored 'General case' 0 C--N 1.321 -0.65 0 N-CA-C 108.033 -1.099 . . . . 0.0 108.033 172.833 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 19.3 m-80 -57.02 -42.85 81.15 Favored 'General case' 0 N--CA 1.478 0.934 0 CA-C-O 121.616 0.722 . . . . 0.0 109.602 174.213 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' ASP . . . . . 0.459 ' HB3' ' O ' ' A' ' 5' ' ' LYS . 10.2 t70 -56.5 -41.99 77.61 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 114.605 -1.179 . . . . 0.0 110.892 177.702 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 9' ' ' ARG . . . . . 0.502 ' HG3' ' O ' ' A' ' 5' ' ' LYS . 82.9 mtp180 -64.99 -41.44 95.4 Favored 'General case' 0 N--CA 1.467 0.391 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.061 179.332 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.525 ' O ' ' HG3' ' A' ' 14' ' ' LYS . 65.6 mt -60.36 -42.16 89.87 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-N 115.611 -0.722 . . . . 0.0 109.441 178.855 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 13.8 tp10 -59.34 -42.97 92.75 Favored 'General case' 0 C--O 1.243 0.743 0 CA-C-N 115.116 -0.947 . . . . 0.0 111.331 -177.543 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -72.95 -26.9 61.54 Favored 'General case' 0 C--N 1.316 -0.888 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.66 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 14.1 mmmm -76.68 -31.28 57.17 Favored 'General case' 0 C--N 1.31 -1.116 0 C-N-CA 120.242 -0.583 . . . . 0.0 110.699 -179.584 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.525 ' HG3' ' O ' ' A' ' 10' ' ' ILE . 92.7 mttt -59.53 -53.38 58.8 Favored 'General case' 0 CA--C 1.517 -0.326 0 N-CA-C 108.87 -0.789 . . . . 0.0 108.87 175.07 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.548 ' HD3' ' N ' ' A' ' 16' ' ' GLU . 0.0 OUTLIER -65.05 -33.93 77.21 Favored 'General case' 0 N--CA 1.449 -0.491 0 CA-C-N 115.49 -0.777 . . . . 0.0 112.268 -176.346 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.548 ' N ' ' HD3' ' A' ' 15' ' ' LYS . 40.3 tt0 -69.18 -43.44 74.21 Favored 'General case' 0 N--CA 1.439 -0.983 0 N-CA-C 109.171 -0.677 . . . . 0.0 109.171 179.047 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.477 ' O ' HG23 ' A' ' 21' ' ' VAL . 3.4 tm? -59.53 -48.17 82.68 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.866 -0.606 . . . . 0.0 109.583 178.701 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.505 ' O ' ' HG2' ' A' ' 22' ' ' GLU . 86.9 mt -55.68 -49.32 74.93 Favored 'Isoleucine or valine' 0 C--O 1.238 0.484 0 O-C-N 123.495 0.497 . . . . 0.0 110.166 179.133 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 86.8 t80 -59.86 -40.21 87.84 Favored 'General case' 0 C--O 1.243 0.737 0 O-C-N 124.005 0.816 . . . . 0.0 111.019 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.493 ' HG ' ' O ' ' A' ' 16' ' ' GLU . 92.6 mt -71.0 -33.62 70.56 Favored 'General case' 0 C--N 1.314 -0.978 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.366 179.698 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.477 HG23 ' O ' ' A' ' 17' ' ' LEU . 81.3 t -68.26 -33.48 60.8 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.744 0 N-CA-C 109.821 -0.437 . . . . 0.0 109.821 175.716 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.505 ' HG2' ' O ' ' A' ' 18' ' ' ILE . 23.6 mm-40 -62.15 -48.78 78.57 Favored 'General case' 0 C--N 1.318 -0.784 0 CA-C-O 121.437 0.637 . . . . 0.0 109.977 177.016 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 34.4 mmtp -82.69 -41.77 18.92 Favored 'General case' 0 C--N 1.317 -0.81 0 N-CA-C 114.175 1.176 . . . . 0.0 114.175 -175.252 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' TYR . . . . . 0.451 ' HB3' ' CE1' ' A' ' 28' ' ' HIS . 98.3 m-85 -99.0 -41.85 7.38 Favored 'General case' 0 C--N 1.298 -1.666 0 N-CA-C 112.193 0.442 . . . . 0.0 112.193 -175.893 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 97.57 136.73 9.28 Favored Glycine 0 C--N 1.303 -1.288 0 C-N-CA 120.774 -0.727 . . . . 0.0 111.622 -178.068 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 26.5 t80 -84.0 92.42 7.84 Favored 'General case' 0 N--CA 1.433 -1.283 0 N-CA-C 108.598 -0.89 . . . . 0.0 108.598 -178.418 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 7.4 t -159.68 -41.21 0.05 Allowed 'General case' 0 C--N 1.297 -1.707 0 CA-C-N 115.701 -0.682 . . . . 0.0 110.488 178.445 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' HIS . . . . . 0.451 ' CE1' ' HB3' ' A' ' 24' ' ' TYR . 3.0 p-80 -87.07 159.79 18.81 Favored 'General case' 0 C--O 1.25 1.127 0 C-N-CA 120.298 -0.561 . . . . 0.0 111.372 179.411 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 57.8 m80 -56.68 -39.51 73.92 Favored 'General case' 0 N--CA 1.475 0.793 0 C-N-CA 124.196 0.998 . . . . 0.0 113.098 -172.323 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.429 ' HB3' ' CD2' ' A' ' 28' ' ' HIS . 53.9 tttp -49.95 -49.88 48.59 Favored 'General case' 0 C--O 1.252 1.23 0 O-C-N 123.809 0.693 . . . . 0.0 111.652 -179.266 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.52 ' HA ' ' CD2' ' A' ' 34' ' ' PHE . 70.3 t -73.22 -39.6 56.45 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.587 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.221 -177.732 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 61.8 mt -64.03 -36.61 77.42 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.699 0 CA-C-O 121.215 0.531 . . . . 0.0 110.072 -179.462 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 49.4 m -65.16 -28.17 69.22 Favored 'General case' 0 N--CA 1.443 -0.803 0 CA-C-N 115.943 -0.571 . . . . 0.0 111.536 177.824 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' PHE . . . . . 0.52 ' CD2' ' HA ' ' A' ' 31' ' ' VAL . 24.1 m-85 -69.62 -38.29 77.18 Favored 'General case' 0 C--N 1.344 0.328 0 N-CA-C 109.682 -0.488 . . . . 0.0 109.682 177.264 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 29.2 m -63.66 -32.31 73.75 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-O 121.086 0.469 . . . . 0.0 110.763 177.932 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' GLN . . . . . 0.439 ' O ' ' HG2' ' A' ' 40' ' ' ARG . 78.8 mt-30 -64.95 -31.54 72.82 Favored 'General case' 0 N--CA 1.451 -0.4 0 CA-C-N 115.817 -0.629 . . . . 0.0 110.26 176.711 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 37' ' ' GLU . . . . . 0.487 ' O ' ' HG ' ' A' ' 41' ' ' LEU . 51.7 mt-10 -64.42 -45.16 88.76 Favored 'General case' 0 C--O 1.224 -0.247 0 N-CA-C 108.66 -0.867 . . . . 0.0 108.66 177.635 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -59.91 -40.95 90.59 Favored 'General case' 0 N--CA 1.475 0.788 0 CA-C-N 115.746 -0.661 . . . . 0.0 110.811 177.545 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 12.2 t70 -56.5 -45.03 81.23 Favored 'General case' 0 C--O 1.245 0.852 0 CA-C-N 115.28 -0.873 . . . . 0.0 110.545 177.442 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' ARG . . . . . 0.532 ' O ' ' HG ' ' A' ' 44' ' ' LEU . 14.7 mmm180 -73.05 -43.1 62.4 Favored 'General case' 0 N--CA 1.445 -0.688 0 CA-C-N 115.598 -0.728 . . . . 0.0 111.017 -178.321 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.496 ' HB3' HG12 ' A' ' 10' ' ' ILE . 92.9 mt -61.24 -42.81 99.27 Favored 'General case' 0 C--N 1.33 -0.27 0 O-C-N 123.092 0.245 . . . . 0.0 110.863 -179.544 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 58.4 tp -58.65 -43.08 89.67 Favored 'General case' 0 N--CA 1.464 0.252 0 CA-C-O 121.256 0.55 . . . . 0.0 110.236 175.38 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 3.2 t-20 -69.0 -32.88 72.75 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 115.767 -0.651 . . . . 0.0 110.719 -178.098 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.532 ' HG ' ' O ' ' A' ' 40' ' ' ARG . 81.1 mt -58.01 -33.11 68.59 Favored 'General case' 0 N--CA 1.471 0.622 0 N-CA-C 112.446 0.536 . . . . 0.0 112.446 -179.251 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 88.3 mt -60.6 -48.19 82.88 Favored 'General case' 0 N--CA 1.468 0.442 0 CA-C-O 121.749 0.785 . . . . 0.0 109.309 177.612 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 35.8 mt -69.38 -46.73 76.04 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.124 0 CA-C-N 114.416 -1.265 . . . . 0.0 109.018 -178.534 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' GLU . . . . . 0.439 ' O ' ' HG3' ' A' ' 51' ' ' LYS . 3.7 tm-20 -57.23 -47.19 81.96 Favored 'General case' 0 C--N 1.312 -1.031 0 C-N-CA 124.466 1.107 . . . . 0.0 110.295 -177.604 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -52.02 -50.85 60.59 Favored 'General case' 0 N--CA 1.482 1.127 0 C-N-CA 124.364 1.066 . . . . 0.0 111.55 -176.306 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 20.3 ptmt -72.72 -31.39 64.95 Favored 'General case' 0 C--N 1.309 -1.185 0 CA-C-N 116.468 -0.333 . . . . 0.0 111.89 179.799 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 77.5 m -72.69 -17.85 61.6 Favored 'General case' 0 CA--C 1.563 1.471 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.476 -177.801 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 51' ' ' LYS . . . . . 0.439 ' HG3' ' O ' ' A' ' 47' ' ' GLU . 23.5 mtpp -62.71 -23.55 67.21 Favored 'General case' 0 N--CA 1.478 0.941 0 C-N-CA 122.621 0.369 . . . . 0.0 110.541 179.664 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 19.0 ptpt 53.33 15.74 0.73 Allowed 'General case' 0 N--CA 1.487 1.395 0 C-N-CA 126.883 2.073 . . . . 0.0 113.889 -179.897 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 56.2 pttt -97.99 5.63 48.59 Favored 'General case' 0 C--N 1.309 -1.191 0 CA-C-O 121.544 0.688 . . . . 0.0 109.494 177.848 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 22.4 mmm180 -67.68 146.93 53.33 Favored 'General case' 0 N--CA 1.435 -1.217 0 CA-C-N 114.875 -1.057 . . . . 0.0 108.408 174.937 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 97.5 m-85 -59.47 -24.49 63.62 Favored 'General case' 0 C--N 1.312 -1.063 0 N-CA-C 113.478 0.918 . . . . 0.0 113.478 -172.381 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 3.6 p -69.59 -13.16 62.18 Favored 'General case' 0 C--N 1.317 -0.833 0 C-N-CA 124.131 0.973 . . . . 0.0 112.407 177.917 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -97.1 -7.21 33.26 Favored 'General case' 0 C--N 1.316 -0.856 0 CA-C-O 121.066 0.46 . . . . 0.0 110.588 178.501 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -102.35 -73.13 0.67 Allowed 'General case' 0 N--CA 1.435 -1.204 0 N-CA-C 109.169 -0.678 . . . . 0.0 109.169 177.964 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 30.7 mt-10 35.92 66.98 0.32 Allowed 'General case' 0 N--CA 1.465 0.307 0 C-N-CA 125.99 1.716 . . . . 0.0 112.83 -177.713 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 36.5 m80 -92.09 -0.24 57.45 Favored 'General case' 0 CA--C 1.504 -0.802 0 CA-C-N 115.083 -0.962 . . . . 0.0 111.926 -176.677 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 12.9 p80 -78.34 106.72 10.46 Favored 'General case' 0 C--N 1.302 -1.479 0 N-CA-C 107.549 -1.278 . . . . 0.0 107.549 173.818 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 36.4 m80 -109.25 111.05 22.42 Favored 'General case' 0 C--N 1.302 -1.489 0 CA-C-O 121.433 0.635 . . . . 0.0 112.403 -172.942 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 11.3 t60 -89.0 90.06 8.25 Favored 'General case' 0 C--N 1.303 -1.439 0 N-CA-C 108.309 -0.997 . . . . 0.0 108.309 176.316 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 99.0 m-70 . . . . . 0 N--CA 1.424 -1.75 0 N-CA-C 107.571 -1.27 . . . . 0.0 107.571 177.208 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 CA--C 1.502 -0.868 0 N-CA-C 110.417 -0.216 . . . . 0.0 110.417 . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 2' ' ' ASN . . . . . 0.443 ' O ' ' HG2' ' A' ' 5' ' ' LYS . 86.4 m-20 -79.98 158.23 26.63 Favored 'General case' 0 C--N 1.315 -0.927 0 O-C-N 124.073 0.858 . . . . 0.0 110.025 -177.085 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 33.1 m -69.23 -21.79 25.4 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.584 0 N-CA-C 112.449 0.537 . . . . 0.0 112.449 -177.327 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 10.3 t -55.71 -27.44 50.43 Favored 'General case' 0 CA--C 1.548 0.884 0 C-N-CA 123.466 0.706 . . . . 0.0 112.153 179.657 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' LYS . . . . . 0.544 ' O ' ' HG3' ' A' ' 9' ' ' ARG . 62.7 pttt -58.65 -34.58 71.37 Favored 'General case' 0 C--O 1.22 -0.497 0 CA-C-O 121.096 0.474 . . . . 0.0 110.32 -179.705 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.559 ' O ' HG13 ' A' ' 10' ' ' ILE . 42.0 tp -68.33 -45.73 72.11 Favored 'General case' 0 N--CA 1.44 -0.949 0 CA-C-N 115.806 -0.634 . . . . 0.0 109.652 -176.574 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 9.1 t30 -65.74 -35.12 79.82 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.513 -179.194 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' ASP . . . . . 0.452 ' O ' ' HB2' ' A' ' 11' ' ' GLU . 21.6 t70 -69.51 -36.73 76.72 Favored 'General case' 0 C--O 1.24 0.554 0 CA-C-N 115.857 -0.61 . . . . 0.0 110.38 179.319 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 9' ' ' ARG . . . . . 0.544 ' HG3' ' O ' ' A' ' 5' ' ' LYS . 71.7 mtp180 -70.21 -31.48 68.94 Favored 'General case' 0 C--N 1.325 -0.468 0 C-N-CA 120.776 -0.369 . . . . 0.0 110.523 177.942 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.559 HG13 ' O ' ' A' ' 6' ' ' LEU . 73.3 mt -63.22 -43.51 98.79 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.224 0 N-CA-C 109.144 -0.687 . . . . 0.0 109.144 175.463 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 11' ' ' GLU . . . . . 0.481 ' HA ' ' HE2' ' A' ' 14' ' ' LYS . 24.3 mm-40 -49.72 -48.6 49.88 Favored 'General case' 0 N--CA 1.483 1.216 0 C-N-CA 123.461 0.704 . . . . 0.0 110.623 176.027 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -69.28 -30.02 68.04 Favored 'General case' 0 C--N 1.307 -1.255 0 CA-C-N 115.154 -0.93 . . . . 0.0 112.029 -178.34 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 75.7 tttt -77.49 -30.71 53.18 Favored 'General case' 0 N--CA 1.445 -0.678 0 CA-C-O 121.651 0.738 . . . . 0.0 109.543 -171.694 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.504 ' O ' HG13 ' A' ' 18' ' ' ILE . 44.2 mtmt -71.18 -37.87 72.14 Favored 'General case' 0 C--N 1.306 -1.313 0 CA-C-N 114.813 -1.085 . . . . 0.0 110.075 178.155 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 51.7 mtpt -76.41 -30.04 57.3 Favored 'General case' 0 C--O 1.239 0.534 0 CA-C-O 121.114 0.483 . . . . 0.0 110.297 179.006 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 6.8 tp10 -63.39 -45.14 92.42 Favored 'General case' 0 C--N 1.319 -0.74 0 N-CA-C 107.637 -1.246 . . . . 0.0 107.637 175.077 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.491 ' O ' HG23 ' A' ' 21' ' ' VAL . 31.6 tp -65.42 -34.04 77.35 Favored 'General case' 0 N--CA 1.439 -0.989 0 CA-C-N 114.804 -1.089 . . . . 0.0 110.661 -179.375 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.504 HG13 ' O ' ' A' ' 14' ' ' LYS . 75.0 mt -58.19 -44.18 87.24 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.624 0 N-CA-C 109.539 -0.541 . . . . 0.0 109.539 175.145 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 91.5 t80 -61.68 -37.3 83.59 Favored 'General case' 0 CA--C 1.542 0.64 0 CA-C-O 121.551 0.691 . . . . 0.0 110.725 179.134 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.428 HD13 ' CD2' ' A' ' 34' ' ' PHE . 81.8 mt -71.24 -37.38 71.99 Favored 'General case' 0 C--N 1.305 -1.358 0 CA-C-N 115.624 -0.716 . . . . 0.0 111.086 179.087 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.491 HG23 ' O ' ' A' ' 17' ' ' LEU . 63.3 t -70.46 -34.69 58.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 N-CA-C 109.599 -0.519 . . . . 0.0 109.599 177.25 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 2.9 tm-20 -60.71 -52.87 63.26 Favored 'General case' 0 N--CA 1.418 -2.035 0 C-N-CA 124.12 0.968 . . . . 0.0 109.344 177.488 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 33.4 mmtm -82.92 -30.53 28.35 Favored 'General case' 0 C--N 1.318 -0.763 0 N-CA-C 116.626 2.084 . . . . 0.0 116.626 -177.002 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 36.7 m-85 -105.96 -48.6 3.58 Favored 'General case' 0 C--N 1.302 -1.459 0 C-N-CA 120.263 -0.575 . . . . 0.0 112.079 179.773 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 122.39 -173.06 15.87 Favored Glycine 0 C--N 1.291 -1.943 0 N-CA-C 109.392 -1.483 . . . . 0.0 109.392 -174.536 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 51.6 p90 -100.08 -12.4 19.71 Favored 'General case' 0 C--N 1.309 -1.168 0 CA-C-N 118.009 0.904 . . . . 0.0 111.635 -179.54 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 15.4 p -93.38 17.77 10.81 Favored 'General case' 0 C--N 1.313 -1.021 0 CA-C-O 121.154 0.502 . . . . 0.0 111.468 -178.805 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 15.7 t60 -101.22 130.9 47.41 Favored 'General case' 0 C--N 1.304 -1.404 0 N-CA-C 108.331 -0.988 . . . . 0.0 108.331 -177.312 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 52.0 t-80 -58.13 -38.97 77.55 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 112.95 0.722 . . . . 0.0 112.95 -175.012 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 90.4 mttt -56.86 -45.6 82.35 Favored 'General case' 0 N--CA 1.484 1.274 0 N-CA-C 109.406 -0.59 . . . . 0.0 109.406 178.643 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 99.5 t -58.84 -43.88 89.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 CA-C-N 115.364 -0.834 . . . . 0.0 110.432 -179.489 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 68.8 mt -66.18 -36.46 77.46 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.737 0 CA-C-N 116.005 -0.543 . . . . 0.0 109.993 178.981 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 46.7 t -65.77 -41.76 91.66 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.25 177.357 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' PHE . . . . . 0.428 ' CD2' HD13 ' A' ' 20' ' ' LEU . 68.0 m-85 -70.68 -36.63 73.42 Favored 'General case' 0 C--N 1.327 -0.377 0 C-N-CA 120.392 -0.523 . . . . 0.0 110.742 178.474 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 22.8 t -61.57 -47.01 87.45 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.277 -178.784 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 11.3 pt20 -68.05 -30.1 69.22 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 121.21 0.528 . . . . 0.0 111.444 179.618 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 35.4 mm-40 -72.92 -33.21 65.83 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.343 0.592 . . . . 0.0 110.134 177.111 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.425 HD11 ' HG2' ' A' ' 14' ' ' LYS . 5.8 tt -70.77 -42.25 70.66 Favored 'General case' 0 C--N 1.312 -1.063 0 N-CA-C 107.612 -1.255 . . . . 0.0 107.612 177.83 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 27.8 t70 -56.81 -45.98 81.91 Favored 'General case' 0 C--N 1.317 -0.845 0 CA-C-N 115.021 -0.99 . . . . 0.0 110.382 177.744 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 22.9 tpp180 -65.33 -35.4 80.89 Favored 'General case' 0 CA--C 1.543 0.683 0 CA-C-N 115.695 -0.684 . . . . 0.0 111.139 177.204 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 38.9 tp -66.61 -39.46 88.35 Favored 'General case' 0 N--CA 1.444 -0.743 0 N-CA-C 109.45 -0.574 . . . . 0.0 109.45 -179.245 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 57.4 tp -67.72 -35.13 78.2 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.536 -0.756 . . . . 0.0 110.398 178.107 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 13.3 m120 -58.28 -34.65 70.75 Favored 'General case' 0 N--CA 1.478 0.927 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.603 178.074 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 87.7 mt -57.18 -32.97 66.98 Favored 'General case' 0 C--O 1.22 -0.448 0 N-CA-C 113.0 0.741 . . . . 0.0 113.0 -177.351 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 94.1 mt -61.45 -43.1 99.46 Favored 'General case' 0 C--O 1.243 0.732 0 CA-C-O 121.454 0.645 . . . . 0.0 110.01 178.464 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.404 ' N ' HD12 ' A' ' 46' ' ' ILE . 2.9 mp -73.9 -49.03 36.5 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.146 0 CA-C-N 115.479 -0.782 . . . . 0.0 109.268 179.329 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 47' ' ' GLU . . . . . 0.591 ' O ' ' HG2' ' A' ' 51' ' ' LYS . 68.1 mm-40 -60.99 -40.12 92.26 Favored 'General case' 0 C--N 1.314 -0.936 0 N-CA-C 113.895 1.072 . . . . 0.0 113.895 -175.464 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -63.4 -46.14 87.8 Favored 'General case' 0 C--N 1.328 -0.351 0 O-C-N 123.634 0.584 . . . . 0.0 110.568 -177.565 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 9.6 ptpp? -70.63 -31.87 68.98 Favored 'General case' 0 C--N 1.325 -0.485 0 C-N-CA 119.983 -0.687 . . . . 0.0 110.682 179.544 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 41.5 m -70.91 -17.61 62.69 Favored 'General case' 0 CA--C 1.562 1.441 0 CA-C-O 121.145 0.498 . . . . 0.0 110.788 -179.849 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 51' ' ' LYS . . . . . 0.591 ' HG2' ' O ' ' A' ' 47' ' ' GLU . 0.0 OUTLIER -66.28 -16.35 63.96 Favored 'General case' 0 N--CA 1.472 0.669 0 C-N-CA 122.696 0.398 . . . . 0.0 110.872 177.33 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 25.3 pttm 56.93 9.9 0.69 Allowed 'General case' 0 N--CA 1.497 1.91 0 C-N-CA 126.398 1.879 . . . . 0.0 114.274 176.847 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -93.45 19.38 8.44 Favored 'General case' 0 C--N 1.314 -0.967 0 CA-C-O 122.433 1.111 . . . . 0.0 110.867 -179.142 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 22.8 mmm180 -121.03 141.39 50.79 Favored 'General case' 0 C--N 1.304 -1.4 0 N-CA-C 106.81 -1.552 . . . . 0.0 106.81 175.992 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 41.3 t80 -78.2 -8.88 58.86 Favored 'General case' 0 N--CA 1.43 -1.464 0 N-CA-C 109.787 -0.449 . . . . 0.0 109.787 -178.4 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 4.8 m -51.54 -31.71 25.21 Favored 'General case' 0 CA--C 1.544 0.735 0 C-N-CA 124.659 1.184 . . . . 0.0 111.988 179.502 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 6.3 mp -67.09 -29.89 69.78 Favored 'General case' 0 N--CA 1.465 0.293 0 CA-C-O 121.011 0.434 . . . . 0.0 111.18 -179.625 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -90.28 -14.85 32.43 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-O 121.477 0.656 . . . . 0.0 109.695 -179.446 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -91.35 -5.74 54.07 Favored 'General case' 0 C--N 1.308 -1.212 0 CA-C-N 115.395 -0.82 . . . . 0.0 108.865 176.683 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 59.8 t-80 -89.24 91.36 8.74 Favored 'General case' 0 N--CA 1.43 -1.452 0 CA-C-N 114.942 -1.026 . . . . 0.0 108.255 179.156 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 48.0 t-80 -90.2 131.77 35.85 Favored 'General case' 0 C--N 1.299 -1.607 0 N-CA-C 107.724 -1.213 . . . . 0.0 107.724 177.649 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 19.7 t60 -159.46 -51.36 0.06 Allowed 'General case' 0 C--N 1.305 -1.341 0 CA-C-O 121.023 0.439 . . . . 0.0 109.913 -178.42 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 33.0 p-80 -96.6 -179.1 4.49 Favored 'General case' 0 C--N 1.306 -1.326 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.325 -175.535 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 53.8 t-80 . . . . . 0 C--O 1.268 2.043 0 N-CA-C 107.314 -1.365 . . . . 0.0 107.314 178.062 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 14.4 tpt . . . . . 0 CA--C 1.514 -0.435 0 N-CA-C 109.868 -0.419 . . . . 0.0 109.868 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 4.5 m-20 -58.42 139.96 54.57 Favored 'General case' 0 C--O 1.253 1.272 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.218 178.303 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 33.3 m -55.57 -28.51 23.07 Favored 'Isoleucine or valine' 0 C--O 1.211 -0.94 0 N-CA-C 114.56 1.319 . . . . 0.0 114.56 -170.273 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 8.9 t -54.96 -38.7 68.1 Favored 'General case' 0 CA--C 1.56 1.33 0 CA-C-O 121.151 0.501 . . . . 0.0 111.505 179.656 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 73.2 mmtt -79.01 -27.68 43.27 Favored 'General case' 0 C--O 1.24 0.583 0 CA-C-O 120.964 0.411 . . . . 0.0 111.795 179.351 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.483 ' O ' HG13 ' A' ' 10' ' ' ILE . 26.2 tp -72.95 -47.82 42.16 Favored 'General case' 0 C--N 1.314 -0.965 0 N-CA-C 108.224 -1.028 . . . . 0.0 108.224 178.754 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 36.5 m-80 -58.18 -43.9 87.73 Favored 'General case' 0 N--CA 1.469 0.521 0 CA-C-N 115.455 -0.793 . . . . 0.0 111.236 177.194 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 21.0 t70 -55.59 -44.15 76.68 Favored 'General case' 0 N--CA 1.473 0.696 0 CA-C-N 115.833 -0.621 . . . . 0.0 111.857 178.949 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 59.0 mtm180 -68.64 -32.1 71.71 Favored 'General case' 0 C--N 1.317 -0.839 0 N-CA-C 112.459 0.541 . . . . 0.0 112.459 179.126 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.517 ' O ' ' HG3' ' A' ' 14' ' ' LYS . 60.6 mt -66.71 -45.86 87.14 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.581 0 N-CA-C 108.369 -0.974 . . . . 0.0 108.369 177.177 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 5.3 tp10 -57.98 -49.27 77.37 Favored 'General case' 0 C--O 1.256 1.438 0 CA-C-N 114.868 -1.06 . . . . 0.0 109.505 -179.45 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -59.91 -37.08 78.41 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 114.661 -1.154 . . . . 0.0 111.701 179.703 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 29.0 mmtm -71.6 -31.63 67.12 Favored 'General case' 0 CA--C 1.504 -0.823 0 N-CA-C 111.994 0.368 . . . . 0.0 111.994 -177.062 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.517 ' HG3' ' O ' ' A' ' 10' ' ' ILE . 88.9 mttt -61.45 -51.15 69.91 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-O 121.656 0.741 . . . . 0.0 109.387 178.02 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 72.2 mmtt -71.08 -27.32 63.53 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 114.951 -1.022 . . . . 0.0 110.726 -175.37 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 35.8 tt0 -78.1 -36.76 47.66 Favored 'General case' 0 C--N 1.31 -1.134 0 CA-C-N 115.182 -0.917 . . . . 0.0 108.987 -176.642 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.458 HD21 ' HB2' ' A' ' 34' ' ' PHE . 13.6 mt -61.05 -40.02 92.03 Favored 'General case' 0 N--CA 1.43 -1.454 0 CA-C-N 115.092 -0.958 . . . . 0.0 111.047 174.855 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.51 ' O ' ' HG3' ' A' ' 22' ' ' GLU . 76.0 mt -57.25 -45.49 84.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 123.655 0.597 . . . . 0.0 109.909 177.155 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 79.1 t80 -59.11 -49.11 79.14 Favored 'General case' 0 C--O 1.236 0.355 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.635 177.003 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.432 ' HB3' HG22 ' A' ' 31' ' ' VAL . 79.0 mt -63.62 -41.68 98.27 Favored 'General case' 0 C--N 1.314 -0.943 0 CA-C-N 115.985 -0.552 . . . . 0.0 111.211 -178.191 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 71.2 t -60.97 -44.75 98.75 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.663 0 CA-C-N 116.513 -0.312 . . . . 0.0 110.78 175.84 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.51 ' HG3' ' O ' ' A' ' 18' ' ' ILE . 29.2 mt-10 -67.98 -31.73 71.64 Favored 'General case' 0 C--N 1.316 -0.871 0 C-N-CA 120.56 -0.456 . . . . 0.0 111.82 -179.458 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 14.3 mmmm -82.83 -48.11 11.13 Favored 'General case' 0 C--N 1.317 -0.81 0 N-CA-C 113.666 0.987 . . . . 0.0 113.666 179.667 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 67.0 m-85 -108.19 -36.89 6.17 Favored 'General case' 0 C--N 1.309 -1.181 0 N-CA-C 112.191 0.441 . . . . 0.0 112.191 -173.297 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 115.66 -159.65 13.71 Favored Glycine 0 C--N 1.294 -1.787 0 N-CA-C 110.836 -0.906 . . . . 0.0 110.836 -175.538 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 98.2 m-85 -102.86 -15.63 16.15 Favored 'General case' 0 C--N 1.315 -0.917 0 N-CA-C 111.691 0.256 . . . . 0.0 111.691 -178.119 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 7.4 m -82.18 -18.67 41.89 Favored 'General case' 0 C--N 1.317 -0.826 0 CA-C-O 121.353 0.597 . . . . 0.0 110.893 -174.959 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 44.7 t60 -59.52 122.94 15.29 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-N 115.46 -0.791 . . . . 0.0 110.959 -179.114 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 77.3 m-70 -54.52 -43.45 71.92 Favored 'General case' 0 N--CA 1.473 0.684 0 C-N-CA 124.579 1.152 . . . . 0.0 112.79 -174.198 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 68.1 mttm -64.31 -37.74 88.56 Favored 'General case' 0 C--O 1.218 -0.562 0 C-N-CA 120.938 -0.305 . . . . 0.0 110.805 179.767 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.432 HG22 ' HB3' ' A' ' 20' ' ' LEU . 92.9 t -61.91 -45.91 97.65 Favored 'Isoleucine or valine' 0 C--O 1.238 0.47 0 N-CA-C 109.491 -0.559 . . . . 0.0 109.491 -179.793 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 60.5 mt -60.49 -46.68 95.0 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.616 0 CA-C-N 115.492 -0.777 . . . . 0.0 109.055 177.374 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 43.1 m -59.74 -40.58 88.54 Favored 'General case' 0 CA--C 1.55 0.967 0 CA-C-N 115.585 -0.734 . . . . 0.0 112.048 179.781 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' PHE . . . . . 0.458 ' HB2' HD21 ' A' ' 17' ' ' LEU . 32.3 m-85 -73.21 -30.46 63.52 Favored 'General case' 0 C--O 1.227 -0.118 0 O-C-N 122.112 -0.367 . . . . 0.0 111.176 178.441 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 41.2 m -64.31 -39.48 93.98 Favored 'General case' 0 C--O 1.243 0.72 0 N-CA-C 109.146 -0.687 . . . . 0.0 109.146 176.38 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 89.8 mt-30 -70.18 -34.1 72.55 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 114.873 -1.058 . . . . 0.0 109.925 177.415 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 7.3 tp10 -65.33 -49.92 67.6 Favored 'General case' 0 C--N 1.33 -0.281 0 C-N-CA 123.478 0.711 . . . . 0.0 109.325 178.481 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 5.8 tt -58.38 -46.24 86.73 Favored 'General case' 0 N--CA 1.469 0.51 0 C-N-CA 123.896 0.878 . . . . 0.0 109.183 179.406 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 20.8 t70 -59.57 -41.28 89.83 Favored 'General case' 0 C--O 1.241 0.652 0 CA-C-N 115.359 -0.837 . . . . 0.0 110.755 178.677 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' ARG . . . . . 0.498 ' O ' ' HG ' ' A' ' 44' ' ' LEU . 31.6 tpt180 -69.2 -40.25 78.13 Favored 'General case' 0 C--N 1.316 -0.863 0 CA-C-N 115.319 -0.855 . . . . 0.0 110.54 179.147 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.476 ' HB3' HG12 ' A' ' 10' ' ' ILE . 98.1 mt -61.25 -43.18 99.29 Favored 'General case' 0 N--CA 1.469 0.485 0 N-CA-C 110.06 -0.348 . . . . 0.0 110.06 177.873 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 51.4 tp -61.21 -44.11 97.81 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.452 0.644 . . . . 0.0 109.412 175.747 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 22.4 t-20 -63.7 -26.34 68.61 Favored 'General case' 0 C--O 1.209 -1.042 0 CA-C-N 115.3 -0.864 . . . . 0.0 111.776 -179.76 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.515 ' O ' ' HG ' ' A' ' 48' ' ' LEU . 80.3 mt -64.44 -39.1 93.18 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-O 120.825 0.345 . . . . 0.0 110.142 176.203 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 92.0 mt -67.29 -39.69 86.0 Favored 'General case' 0 C--O 1.238 0.487 0 N-CA-C 109.243 -0.651 . . . . 0.0 109.243 176.926 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 71.0 mt -64.03 -48.46 85.83 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.675 0 CA-C-N 114.891 -1.05 . . . . 0.0 109.999 178.758 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 47' ' ' GLU . . . . . 0.488 ' O ' ' HG3' ' A' ' 51' ' ' LYS . 22.4 mm-40 -61.87 -33.42 74.16 Favored 'General case' 0 CA--C 1.501 -0.923 0 N-CA-C 113.823 1.046 . . . . 0.0 113.823 -179.347 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.515 ' HG ' ' O ' ' A' ' 44' ' ' LEU . 34.0 mt -59.5 -42.12 91.45 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-O 121.3 0.572 . . . . 0.0 110.363 175.444 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 58.9 mttp -72.94 -32.76 65.49 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 115.092 -0.958 . . . . 0.0 110.857 177.701 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 59.7 m -61.95 -44.0 97.68 Favored 'General case' 0 CA--C 1.53 0.209 0 CA-C-O 121.192 0.52 . . . . 0.0 109.681 176.533 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 51' ' ' LYS . . . . . 0.488 ' HG3' ' O ' ' A' ' 47' ' ' GLU . 66.5 mttm -68.1 -48.11 66.36 Favored 'General case' 0 N--CA 1.438 -1.049 0 CA-C-N 115.543 -0.753 . . . . 0.0 109.506 178.988 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 14.5 ptmm? 56.0 0.23 0.05 Allowed 'General case' 0 N--CA 1.499 1.996 0 C-N-CA 127.027 2.131 . . . . 0.0 114.678 -179.927 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 20.5 ptmt -95.77 18.98 12.01 Favored 'General case' 0 C--N 1.295 -1.796 0 C-N-CA 123.904 0.882 . . . . 0.0 109.211 178.824 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 27.3 mmm180 -89.07 142.67 27.44 Favored 'General case' 0 N--CA 1.423 -1.823 0 CA-C-N 114.869 -1.06 . . . . 0.0 108.717 -179.457 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 11.7 p90 -47.39 -19.51 0.17 Allowed 'General case' 0 N--CA 1.479 0.985 0 C-N-CA 125.921 1.688 . . . . 0.0 114.242 178.707 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 5.2 p -68.1 -16.88 64.2 Favored 'General case' 0 CA--C 1.547 0.839 0 C-N-CA 123.565 0.746 . . . . 0.0 112.337 -178.971 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 69.7 mt -103.48 -1.09 29.0 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.358 0.599 . . . . 0.0 110.379 175.81 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 6.7 mp -106.96 -59.44 1.81 Allowed 'General case' 0 C--N 1.312 -1.063 0 N-CA-C 108.749 -0.834 . . . . 0.0 108.749 -178.395 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 35.6 mt-10 66.29 -65.33 0.2 Allowed 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 116.042 1.868 . . . . 0.0 116.042 172.012 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 7.8 t-80 -86.18 96.32 9.87 Favored 'General case' 0 C--N 1.281 -2.375 0 CA-C-O 121.511 0.672 . . . . 0.0 111.612 -172.456 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 38.8 m80 -117.38 170.26 8.85 Favored 'General case' 0 C--N 1.308 -1.209 0 CA-C-N 115.281 -0.872 . . . . 0.0 108.999 177.225 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . 0.338 5.4 p-80 47.46 78.59 0.07 Allowed 'General case' 0 N--CA 1.475 0.776 0 N-CA-C 114.208 1.188 . . . . 0.0 114.208 179.839 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 9.0 p80 -152.06 175.25 12.74 Favored 'General case' 0 C--N 1.304 -1.377 0 CA-C-N 114.503 -1.226 . . . . 0.0 108.23 -178.553 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 13.5 t-80 . . . . . 0 C--N 1.293 -1.865 0 N-CA-C 108.188 -1.041 . . . . 0.0 108.188 -179.172 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 23.9 mmt . . . . . 0 CA--C 1.506 -0.739 0 N-CA-C 108.586 -0.894 . . . . 0.0 108.586 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 1.8 m120 -97.85 163.74 12.67 Favored 'General case' 0 C--N 1.306 -1.3 0 N-CA-C 108.413 -0.958 . . . . 0.0 108.413 -173.683 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 28.6 m -67.3 -25.19 33.05 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.742 0 N-CA-C 111.985 0.365 . . . . 0.0 111.985 -178.738 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 10.1 t -66.63 -34.38 77.75 Favored 'General case' 0 CA--C 1.553 1.07 0 CA-C-O 120.808 0.337 . . . . 0.0 110.524 177.14 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 53.5 mttp -69.93 -38.41 76.21 Favored 'General case' 0 C--O 1.243 0.714 0 N-CA-C 109.472 -0.566 . . . . 0.0 109.472 177.172 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.408 ' O ' HG13 ' A' ' 10' ' ' ILE . 33.5 tp -63.52 -44.03 95.44 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 114.697 -1.138 . . . . 0.0 109.46 179.194 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 7' ' ' ASN . . . . . 0.446 ' O ' ' HB ' ' A' ' 10' ' ' ILE . 58.0 t30 -63.18 -42.58 99.39 Favored 'General case' 0 N--CA 1.464 0.265 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.669 179.392 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 15.3 t70 -59.81 -38.29 81.54 Favored 'General case' 0 N--CA 1.478 0.932 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.275 178.469 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 79.2 mtp180 -63.98 -40.46 96.43 Favored 'General case' 0 N--CA 1.47 0.537 0 CA-C-N 115.887 -0.597 . . . . 0.0 109.978 176.81 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.446 ' HB ' ' O ' ' A' ' 7' ' ' ASN . 73.6 mt -59.27 -44.11 91.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-N 115.32 -0.855 . . . . 0.0 110.078 177.784 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 39.4 mt-10 -60.64 -37.49 81.66 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 116.015 -0.539 . . . . 0.0 111.532 -179.485 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -72.66 -37.0 68.08 Favored 'General case' 0 C--N 1.311 -1.082 0 CA-C-O 121.204 0.526 . . . . 0.0 110.54 178.723 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 48.0 mttm -72.94 -33.91 66.23 Favored 'General case' 0 C--N 1.321 -0.642 0 N-CA-C 112.112 0.412 . . . . 0.0 112.112 -178.685 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.529 ' O ' HG12 ' A' ' 18' ' ' ILE . 13.3 ptmm? -73.44 -29.53 62.61 Favored 'General case' 0 C--N 1.313 -0.998 0 C-N-CA 120.765 -0.374 . . . . 0.0 111.173 -179.258 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -71.86 -29.94 64.91 Favored 'General case' 0 C--O 1.241 0.642 0 CA-C-O 121.86 0.838 . . . . 0.0 110.453 176.305 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.538 ' O ' ' HG ' ' A' ' 20' ' ' LEU . 12.6 tp10 -67.88 -43.96 78.16 Favored 'General case' 0 C--N 1.318 -0.785 0 N-CA-C 106.255 -1.757 . . . . 0.0 106.255 -179.635 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.456 ' O ' HG23 ' A' ' 21' ' ' VAL . 14.9 mt -54.84 -44.52 74.02 Favored 'General case' 0 C--O 1.207 -1.157 0 CA-C-N 113.778 -1.556 . . . . 0.0 112.433 176.387 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.532 ' O ' ' HG3' ' A' ' 22' ' ' GLU . 34.9 mm -54.4 -50.15 59.54 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.818 0 O-C-N 123.869 0.731 . . . . 0.0 109.089 179.37 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 88.8 t80 -60.89 -47.39 86.6 Favored 'General case' 0 N--CA 1.447 -0.623 0 CA-C-N 114.785 -1.098 . . . . 0.0 110.598 179.485 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.538 ' HG ' ' O ' ' A' ' 16' ' ' GLU . 87.8 mt -62.33 -46.03 90.56 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 115.851 -0.613 . . . . 0.0 111.76 -178.448 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.456 HG23 ' O ' ' A' ' 17' ' ' LEU . 84.3 t -58.37 -43.0 85.48 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.467 0 C-N-CA 122.874 0.469 . . . . 0.0 111.306 179.107 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.532 ' HG3' ' O ' ' A' ' 18' ' ' ILE . 49.7 mt-10 -66.13 -48.7 69.97 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-O 121.462 0.648 . . . . 0.0 110.959 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 46.1 mmtm -79.83 -41.2 26.86 Favored 'General case' 0 C--N 1.312 -1.028 0 N-CA-C 113.409 0.892 . . . . 0.0 113.409 -170.564 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 81.5 m-85 -99.47 -27.7 13.6 Favored 'General case' 0 C--N 1.312 -1.035 0 CA-C-O 120.917 0.389 . . . . 0.0 111.908 -176.836 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 116.32 146.96 8.73 Favored Glycine 0 C--N 1.303 -1.25 0 C-N-CA 120.279 -0.963 . . . . 0.0 112.101 178.83 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 30.5 p90 -73.71 -15.54 61.22 Favored 'General case' 0 N--CA 1.472 0.633 0 CA-C-O 121.704 0.764 . . . . 0.0 110.265 178.411 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 3.9 m -90.25 -3.55 57.74 Favored 'General case' 0 N--CA 1.436 -1.168 0 CA-C-N 115.064 -0.971 . . . . 0.0 109.788 179.614 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 14.6 t60 -79.41 109.69 14.01 Favored 'General case' 0 N--CA 1.44 -0.956 0 N-CA-C 108.216 -1.031 . . . . 0.0 108.216 -177.969 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 49.2 m80 -60.18 -31.04 69.75 Favored 'General case' 0 C--N 1.318 -0.784 0 N-CA-C 115.016 1.487 . . . . 0.0 115.016 -172.435 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 49.4 mmtm -64.31 -35.62 81.44 Favored 'General case' 0 C--N 1.323 -0.568 0 C-N-CA 119.653 -0.819 . . . . 0.0 110.483 175.934 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 57.9 t -69.17 -38.62 78.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 N-CA-C 108.863 -0.791 . . . . 0.0 108.863 177.974 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 65.0 mt -64.62 -37.04 79.06 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.661 0 CA-C-N 115.592 -0.731 . . . . 0.0 109.941 176.949 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 30.3 t -60.89 -41.99 97.14 Favored 'General case' 0 C--N 1.322 -0.6 0 N-CA-C 109.53 -0.544 . . . . 0.0 109.53 175.981 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 16.6 m-85 -68.11 -33.72 75.04 Favored 'General case' 0 N--CA 1.468 0.449 0 N-CA-C 109.916 -0.401 . . . . 0.0 109.916 178.446 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' SER . . . . . 0.417 ' HA ' HD11 ' A' ' 17' ' ' LEU . 21.8 t -64.39 -38.75 92.13 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-N 116.153 -0.476 . . . . 0.0 109.812 178.262 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 49.6 mt-30 -71.39 -34.02 70.01 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 121.301 0.572 . . . . 0.0 110.272 177.08 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 6.1 tm-20 -64.08 -43.26 95.98 Favored 'General case' 0 C--N 1.321 -0.664 0 N-CA-C 107.747 -1.205 . . . . 0.0 107.747 178.271 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -66.43 -46.98 74.67 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 114.425 -1.261 . . . . 0.0 109.153 177.7 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 14.9 t70 -56.81 -41.67 78.17 Favored 'General case' 0 C--N 1.321 -0.656 0 C-N-CA 123.822 0.849 . . . . 0.0 111.401 179.713 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 26.9 tpt180 -68.11 -37.13 80.82 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.567 -179.757 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 95.5 mt -64.92 -41.1 95.84 Favored 'General case' 0 CA--C 1.515 -0.367 0 CA-C-O 121.145 0.498 . . . . 0.0 109.916 176.935 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 66.4 tp -62.52 -37.89 87.82 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.721 -0.672 . . . . 0.0 109.904 177.095 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 61.7 t30 -67.61 -32.32 72.95 Favored 'General case' 0 C--O 1.206 -1.199 0 CA-C-N 115.414 -0.812 . . . . 0.0 110.039 -178.392 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 73.2 mt -56.21 -46.01 79.66 Favored 'General case' 0 N--CA 1.469 0.491 0 C-N-CA 123.158 0.583 . . . . 0.0 110.909 176.873 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 88.7 mt -60.23 -50.09 75.02 Favored 'General case' 0 CA--C 1.514 -0.421 0 CA-C-N 115.791 -0.64 . . . . 0.0 109.697 179.306 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 66.3 mt -61.43 -47.39 93.65 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.981 0 CA-C-N 114.906 -1.043 . . . . 0.0 110.741 -178.622 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -57.84 -52.65 64.61 Favored 'General case' 0 C--O 1.245 0.841 0 C-N-CA 124.351 1.061 . . . . 0.0 109.842 -177.308 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -66.43 -37.88 86.17 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 112.866 0.691 . . . . 0.0 112.866 -179.788 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 99.5 mttt -71.99 -27.4 62.73 Favored 'General case' 0 C--N 1.322 -0.6 0 N-CA-C 112.405 0.52 . . . . 0.0 112.405 179.034 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 90.6 m -67.98 -40.62 83.1 Favored 'General case' 0 C--O 1.245 0.859 0 N-CA-C 109.01 -0.737 . . . . 0.0 109.01 174.866 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 51' ' ' LYS . . . . . 0.453 ' C ' ' H ' ' A' ' 53' ' ' LYS . 46.4 mttp -73.97 -59.61 2.64 Favored 'General case' 0 N--CA 1.435 -1.191 0 CA-C-N 115.789 -0.641 . . . . 0.0 111.402 178.591 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . 0.304 0.0 OUTLIER 57.86 -34.05 0.04 OUTLIER 'General case' 0 N--CA 1.51 2.55 0 C-N-CA 127.817 2.447 . . . . 0.0 115.181 -175.005 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 53' ' ' LYS . . . . . 0.453 ' H ' ' C ' ' A' ' 51' ' ' LYS . 60.6 pttt -57.41 -12.71 2.74 Favored 'General case' 0 C--N 1.303 -1.441 0 C-N-CA 127.164 2.186 . . . . 0.0 114.207 -179.531 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 31.3 mmm180 -92.44 -15.31 27.32 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-O 120.902 0.382 . . . . 0.0 110.722 179.819 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 55' ' ' TYR . . . . . 0.437 ' O ' ' HG2' ' A' ' 59' ' ' GLU . 90.9 m-85 56.95 7.22 0.39 Allowed 'General case' 0 N--CA 1.451 -0.41 0 C-N-CA 126.13 1.772 . . . . 0.0 115.345 -179.197 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 47.5 m -75.68 14.16 0.69 Allowed 'General case' 0 C--N 1.315 -0.912 0 CA-C-O 121.997 0.903 . . . . 0.0 111.771 176.743 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 5.2 mp -81.04 -25.32 37.22 Favored 'General case' 0 N--CA 1.437 -1.12 0 N-CA-C 105.514 -2.032 . . . . 0.0 105.514 171.273 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 5.3 mp -105.16 -59.08 1.8 Allowed 'General case' 0 N--CA 1.435 -1.222 0 CA-C-N 113.436 -1.711 . . . . 0.0 108.561 179.735 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 59' ' ' GLU . . . . . 0.437 ' HG2' ' O ' ' A' ' 55' ' ' TYR . 11.7 pt-20 -92.66 -166.44 1.54 Allowed 'General case' 0 N--CA 1.438 -1.055 0 CA-C-N 115.394 -0.821 . . . . 0.0 111.238 -175.93 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 29.1 m80 -96.05 -178.4 4.33 Favored 'General case' 0 C--N 1.291 -1.947 0 CA-C-N 115.524 -0.762 . . . . 0.0 111.857 -177.975 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 45.9 m80 -109.77 -69.36 0.87 Allowed 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 115.488 -0.778 . . . . 0.0 109.897 176.199 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 4.0 p80 -103.6 31.05 4.61 Favored 'General case' 0 C--N 1.314 -0.955 0 CA-C-O 121.961 0.886 . . . . 0.0 110.61 -175.416 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 54.2 t-80 -158.97 174.14 15.41 Favored 'General case' 0 C--N 1.3 -1.567 0 N-CA-C 104.972 -2.233 . . . . 0.0 104.972 178.988 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 49.8 t-80 . . . . . 0 C--N 1.293 -1.874 0 N-CA-C 107.27 -1.381 . . . . 0.0 107.27 174.697 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.544 ' SD ' ' HE3' ' A' ' 53' ' ' LYS . 4.5 mpp? . . . . . 0 N--CA 1.472 0.67 0 N-CA-C 111.835 0.309 . . . . 0.0 111.835 . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 46.2 m-80 70.2 84.81 0.14 Allowed 'General case' 0 C--O 1.248 1.017 0 C-N-CA 124.284 1.034 . . . . 0.0 110.606 -174.576 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 27.8 m -71.82 -21.96 21.29 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.754 0 CA-C-N 115.738 -0.665 . . . . 0.0 110.683 -179.772 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 14.2 t -65.52 -30.58 71.35 Favored 'General case' 0 CA--C 1.545 0.777 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.31 178.465 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 97.5 mttt -78.17 -30.87 49.35 Favored 'General case' 0 CA--C 1.512 -0.517 0 CA-C-O 121.267 0.556 . . . . 0.0 109.853 179.528 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 35.5 tp -72.6 -41.74 65.3 Favored 'General case' 0 C--N 1.314 -0.942 0 N-CA-C 108.421 -0.955 . . . . 0.0 108.421 177.481 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 3.2 t-20 -59.75 -42.03 92.29 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.258 -0.883 . . . . 0.0 109.884 176.668 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 25.2 t70 -57.39 -35.2 69.7 Favored 'General case' 0 N--CA 1.471 0.603 0 CA-C-N 115.842 -0.617 . . . . 0.0 111.581 177.175 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 79.4 mtp180 -69.82 -42.12 74.08 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.112 178.233 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 74.9 mt -61.83 -46.38 96.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 N-CA-C 109.016 -0.735 . . . . 0.0 109.016 177.733 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 36.2 tt0 -59.87 -38.98 83.72 Favored 'General case' 0 C--N 1.312 -1.027 0 CA-C-N 114.578 -1.192 . . . . 0.0 110.406 -179.75 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -72.71 -34.72 67.31 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.949 -0.569 . . . . 0.0 111.236 178.625 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 16.6 tppt? -69.37 -34.93 75.3 Favored 'General case' 0 C--N 1.32 -0.7 0 N-CA-C 109.064 -0.717 . . . . 0.0 109.064 -178.445 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.401 ' O ' HG13 ' A' ' 18' ' ' ILE . 54.2 mttm -61.69 -41.47 97.63 Favored 'General case' 0 C--N 1.311 -1.098 0 CA-C-N 115.113 -0.949 . . . . 0.0 111.156 175.207 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 45.9 mmtm -65.55 -31.74 72.96 Favored 'General case' 0 N--CA 1.47 0.554 0 CA-C-O 121.384 0.612 . . . . 0.0 110.054 179.747 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.523 ' O ' ' HG ' ' A' ' 20' ' ' LEU . 37.3 tt0 -72.08 -47.8 48.82 Favored 'General case' 0 N--CA 1.437 -1.088 0 CA-C-N 114.908 -1.042 . . . . 0.0 108.27 -178.36 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.444 ' O ' HG23 ' A' ' 21' ' ' VAL . 3.2 mm? -57.53 -49.77 75.26 Favored 'General case' 0 C--N 1.316 -0.856 0 CA-C-N 115.097 -0.956 . . . . 0.0 112.131 176.825 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.401 HG13 ' O ' ' A' ' 14' ' ' LYS . 85.6 mt -56.42 -39.68 62.65 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.643 0 CA-C-O 120.872 0.368 . . . . 0.0 110.518 178.867 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 36.9 t80 -65.13 -46.83 79.38 Favored 'General case' 0 C--O 1.246 0.905 0 CA-C-N 115.603 -0.726 . . . . 0.0 110.308 179.412 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.523 ' HG ' ' O ' ' A' ' 16' ' ' GLU . 86.1 mt -64.66 -41.07 96.36 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.617 -0.719 . . . . 0.0 110.959 -178.194 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.444 HG23 ' O ' ' A' ' 17' ' ' LEU . 85.4 t -60.53 -33.03 52.92 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.735 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.509 176.842 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 74.2 mm-40 -68.44 -48.96 63.2 Favored 'General case' 0 C--N 1.316 -0.891 0 N-CA-C 113.168 0.803 . . . . 0.0 113.168 177.037 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 61.9 mttp -82.66 -42.95 17.5 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 114.842 1.423 . . . . 0.0 114.842 -178.299 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 64.3 m-85 -91.35 -49.67 6.22 Favored 'General case' 0 C--N 1.312 -1.049 0 CA-C-O 121.678 0.751 . . . . 0.0 109.408 -178.5 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' GLY . . . . . 0.417 ' O ' ' HA ' ' A' ' 21' ' ' VAL . . . 121.58 -163.45 15.01 Favored Glycine 0 N--CA 1.42 -2.419 0 N-CA-C 109.479 -1.448 . . . . 0.0 109.479 -175.74 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 35.5 p90 -111.55 170.54 8.06 Favored 'General case' 0 C--N 1.288 -2.084 0 N-CA-C 108.624 -0.88 . . . . 0.0 108.624 179.136 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 30.5 p 61.89 9.93 3.25 Favored 'General case' 0 CA--C 1.551 0.991 0 C-N-CA 125.304 1.442 . . . . 0.0 113.699 -176.381 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 65.2 t60 -78.5 137.61 38.02 Favored 'General case' 0 N--CA 1.446 -0.631 0 N-CA-C 107.222 -1.399 . . . . 0.0 107.222 177.143 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 56.0 m-70 -66.79 -33.44 75.63 Favored 'General case' 0 C--N 1.314 -0.944 0 N-CA-C 115.102 1.519 . . . . 0.0 115.102 -170.83 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 63.0 mttp -64.45 -41.87 96.3 Favored 'General case' 0 CA--C 1.51 -0.583 0 N-CA-C 108.41 -0.959 . . . . 0.0 108.41 173.483 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 96.1 t -62.07 -39.56 84.23 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.614 0 CA-C-N 115.309 -0.859 . . . . 0.0 109.624 178.436 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 75.4 mt -60.73 -44.65 97.73 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.659 0 CA-C-O 121.196 0.522 . . . . 0.0 109.962 174.867 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 41.7 m -63.0 -34.95 78.64 Favored 'General case' 0 C--N 1.313 -0.995 0 CA-C-N 115.98 -0.555 . . . . 0.0 111.209 178.111 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 20.9 m-85 -77.78 -30.68 51.51 Favored 'General case' 0 C--N 1.32 -0.71 0 O-C-N 121.847 -0.533 . . . . 0.0 111.559 176.238 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 50.4 m -66.18 -40.99 90.88 Favored 'General case' 0 C--O 1.242 0.673 0 CA-C-O 120.95 0.405 . . . . 0.0 110.358 179.046 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' GLN . . . . . 0.578 ' O ' ' HG2' ' A' ' 40' ' ' ARG . 10.7 pt20 -72.2 -28.65 63.33 Favored 'General case' 0 C--O 1.208 -1.11 0 CA-C-N 116.215 -0.448 . . . . 0.0 109.965 176.034 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 38.5 tt0 -66.55 -39.43 88.54 Favored 'General case' 0 CA--C 1.535 0.373 0 CA-C-O 121.184 0.516 . . . . 0.0 109.656 176.651 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -61.01 -44.06 97.98 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 108.124 -1.065 . . . . 0.0 108.124 174.112 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 21.7 t70 -63.57 -34.85 78.71 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 114.985 -1.007 . . . . 0.0 111.112 179.291 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' ARG . . . . . 0.578 ' HG2' ' O ' ' A' ' 36' ' ' GLN . 28.0 mmt180 -62.48 -46.86 86.55 Favored 'General case' 0 CA--C 1.509 -0.61 0 N-CA-C 109.467 -0.568 . . . . 0.0 109.467 176.542 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 93.3 mt -61.69 -41.52 97.7 Favored 'General case' 0 CA--C 1.52 -0.193 0 CA-C-N 115.576 -0.738 . . . . 0.0 110.518 179.528 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 58.5 tp -64.26 -40.86 96.85 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 121.471 0.653 . . . . 0.0 109.819 177.581 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 9.6 m-80 -68.85 -20.0 64.27 Favored 'General case' 0 C--O 1.205 -1.249 0 CA-C-N 115.528 -0.76 . . . . 0.0 112.486 178.898 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.457 ' HG ' ' O ' ' A' ' 40' ' ' ARG . 80.2 mt -62.52 -31.53 72.32 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 111.889 0.329 . . . . 0.0 111.889 178.955 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 6.7 mp -67.95 -36.2 79.69 Favored 'General case' 0 N--CA 1.469 0.515 0 CA-C-O 121.44 0.638 . . . . 0.0 109.906 176.831 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 69.9 mt -73.02 -46.73 50.63 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.837 0 CA-C-N 115.214 -0.903 . . . . 0.0 108.773 178.117 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 47' ' ' GLU . . . . . 0.456 ' HG3' ' HE2' ' A' ' 51' ' ' LYS . 23.6 tp10 -58.42 -30.43 66.87 Favored 'General case' 0 C--N 1.317 -0.826 0 C-N-CA 125.858 1.663 . . . . 0.0 111.116 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 19.7 tp -62.43 -35.31 78.86 Favored 'General case' 0 N--CA 1.444 -0.765 0 CA-C-O 121.046 0.45 . . . . 0.0 111.862 177.723 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 94.7 mttt -72.13 -37.54 69.44 Favored 'General case' 0 C--N 1.319 -0.732 0 N-CA-C 108.798 -0.816 . . . . 0.0 108.798 178.426 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 19.5 m -60.66 -22.22 63.63 Favored 'General case' 0 CA--C 1.547 0.838 0 C-N-CA 124.785 1.234 . . . . 0.0 111.291 179.721 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 51' ' ' LYS . . . . . 0.456 ' HE2' ' HG3' ' A' ' 47' ' ' GLU . 70.3 mmtt -67.51 -16.08 64.01 Favored 'General case' 0 C--O 1.213 -0.853 0 CA-C-N 115.887 -0.597 . . . . 0.0 111.597 179.475 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 24.2 pttm 62.21 5.68 1.59 Allowed 'General case' 0 N--CA 1.503 2.216 0 C-N-CA 126.631 1.973 . . . . 0.0 113.456 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 53' ' ' LYS . . . . . 0.544 ' HE3' ' SD ' ' A' ' 1' ' ' MET . 0.0 OUTLIER -95.55 15.63 19.28 Favored 'General case' 0 C--N 1.313 -1.009 0 CA-C-O 122.503 1.144 . . . . 0.0 109.559 175.955 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 15.6 ptt180 -70.25 138.29 51.51 Favored 'General case' 0 C--N 1.306 -1.324 0 CA-C-N 113.558 -1.655 . . . . 0.0 109.156 176.076 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 55' ' ' TYR . . . . . 0.423 ' HA ' HD13 ' A' ' 58' ' ' LEU . 96.9 m-85 -70.13 -10.92 60.32 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-O 121.131 0.491 . . . . 0.0 111.886 -177.034 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 56' ' ' SER . . . . . 0.44 ' O ' ' HB3' ' A' ' 60' ' ' HIS . 15.0 m -69.3 -3.68 14.96 Favored 'General case' 0 CA--C 1.551 0.987 0 CA-C-N 115.618 -0.719 . . . . 0.0 111.14 175.398 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 94.2 mt -109.38 0.61 19.51 Favored 'General case' 0 N--CA 1.449 -0.524 0 CA-C-O 121.059 0.457 . . . . 0.0 109.908 173.536 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.423 HD13 ' HA ' ' A' ' 55' ' ' TYR . 8.0 mp -110.09 -54.46 2.57 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.588 -178.724 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -89.51 2.26 54.82 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 121.766 0.793 . . . . 0.0 110.315 -179.299 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 60' ' ' HIS . . . . . 0.44 ' HB3' ' O ' ' A' ' 56' ' ' SER . 38.2 t-80 -138.39 111.05 7.59 Favored 'General case' 0 C--N 1.285 -2.201 0 N-CA-C 107.058 -1.46 . . . . 0.0 107.058 -178.149 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 74.6 m-70 -85.02 98.38 10.37 Favored 'General case' 0 C--N 1.303 -1.416 0 N-CA-C 109.029 -0.73 . . . . 0.0 109.029 -178.671 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 46.1 t-80 -94.9 -72.03 0.64 Allowed 'General case' 0 C--N 1.295 -1.796 0 CA-C-N 115.493 -0.776 . . . . 0.0 110.194 -177.908 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 8.0 t60 176.59 132.81 0.05 Allowed 'General case' 0 C--N 1.312 -1.036 0 N-CA-C 105.593 -2.003 . . . . 0.0 105.593 -174.641 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 22.4 p-80 . . . . . 0 N--CA 1.411 -2.404 0 N-CA-C 110.398 -0.223 . . . . 0.0 110.398 177.395 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 66.9 mtt . . . . . 0 N--CA 1.472 0.663 0 N-CA-C 110.635 -0.135 . . . . 0.0 110.635 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 52.1 t-20 -98.81 123.69 43.22 Favored 'General case' 0 C--N 1.319 -0.752 0 N-CA-C 108.654 -0.869 . . . . 0.0 108.654 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 35.5 m -60.61 -24.24 31.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 N-CA-C 114.224 1.194 . . . . 0.0 114.224 -175.778 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 15.3 t -63.9 -37.31 86.94 Favored 'General case' 0 C--O 1.208 -1.1 0 C-N-CA 119.858 -0.737 . . . . 0.0 110.526 179.941 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 30.8 mmmt -68.67 -32.96 73.17 Favored 'General case' 0 CA--C 1.503 -0.862 0 CA-C-O 121.149 0.5 . . . . 0.0 109.991 -178.116 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 53.2 tp -69.15 -51.18 40.9 Favored 'General case' 0 C--N 1.304 -1.397 0 CA-C-N 115.143 -0.935 . . . . 0.0 109.468 178.732 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' ASN . . . . . 0.444 ' O ' ' HG2' ' A' ' 11' ' ' GLU . 0.2 OUTLIER -64.51 -39.31 93.55 Favored 'General case' 0 CA--C 1.534 0.362 0 CA-C-N 115.95 -0.568 . . . . 0.0 109.835 -178.379 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 18.1 m-20 -63.14 -38.07 89.73 Favored 'General case' 0 N--CA 1.474 0.755 0 N-CA-C 112.174 0.435 . . . . 0.0 112.174 178.344 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 70.8 mtp180 -65.29 -38.85 91.5 Favored 'General case' 0 CA--C 1.51 -0.587 0 CA-C-O 120.848 0.356 . . . . 0.0 110.129 176.277 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 84.3 mt -61.0 -45.09 99.22 Favored 'Isoleucine or valine' 0 C--O 1.206 -1.212 0 CA-C-N 115.701 -0.681 . . . . 0.0 109.699 177.03 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' GLU . . . . . 0.444 ' HG2' ' O ' ' A' ' 7' ' ' ASN . 20.4 mm-40 -59.39 -36.17 75.31 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-O 121.207 0.527 . . . . 0.0 111.491 178.398 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -73.21 -36.77 66.55 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-O 121.023 0.439 . . . . 0.0 110.07 178.277 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.424 ' O ' ' HB3' ' A' ' 16' ' ' GLU . 4.0 tmtm? -71.8 -38.69 70.21 Favored 'General case' 0 C--N 1.317 -0.83 0 CA-C-N 115.374 -0.83 . . . . 0.0 109.003 -178.297 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.639 ' O ' HG12 ' A' ' 18' ' ' ILE . 55.7 mtpt -59.03 -53.26 60.43 Favored 'General case' 0 C--N 1.316 -0.877 0 C-N-CA 123.443 0.697 . . . . 0.0 111.493 178.689 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 31.9 mmmt -65.77 -26.79 67.88 Favored 'General case' 0 N--CA 1.476 0.872 0 CA-C-O 121.495 0.664 . . . . 0.0 110.756 -179.755 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.424 ' HB3' ' O ' ' A' ' 13' ' ' LYS . 30.8 tt0 -67.1 -47.81 70.06 Favored 'General case' 0 C--N 1.314 -0.965 0 N-CA-C 108.344 -0.984 . . . . 0.0 108.344 176.769 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.526 ' O ' HG23 ' A' ' 21' ' ' VAL . 4.0 mt -61.29 -41.36 96.84 Favored 'General case' 0 C--O 1.197 -1.696 0 CA-C-N 114.705 -1.134 . . . . 0.0 111.987 179.493 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.639 HG12 ' O ' ' A' ' 14' ' ' LYS . 36.6 mm -52.65 -47.26 49.97 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.978 0 CA-C-O 121.688 0.756 . . . . 0.0 108.968 178.557 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 79.0 t80 -63.33 -49.68 72.98 Favored 'General case' 0 C--N 1.313 -0.993 0 CA-C-N 114.299 -1.319 . . . . 0.0 110.405 179.04 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 90.8 mt -65.8 -34.81 79.02 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 112.446 0.535 . . . . 0.0 112.446 -177.958 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.526 HG23 ' O ' ' A' ' 17' ' ' LEU . 71.7 t -62.24 -45.35 98.95 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.608 0 N-CA-C 109.892 -0.41 . . . . 0.0 109.892 177.409 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.51 ' HG2' ' O ' ' A' ' 18' ' ' ILE . 47.3 mm-40 -67.61 -45.84 74.28 Favored 'General case' 0 C--N 1.318 -0.781 0 CA-C-O 121.344 0.592 . . . . 0.0 110.08 179.538 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 23.6 tptm -65.34 -48.38 73.2 Favored 'General case' 0 N--CA 1.428 -1.547 0 C-N-CA 123.858 0.863 . . . . 0.0 113.271 -177.119 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 66.2 m-85 -105.58 5.38 31.26 Favored 'General case' 0 C--N 1.32 -0.679 0 N-CA-C 114.226 1.195 . . . . 0.0 114.226 -173.788 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 80.34 11.34 84.35 Favored Glycine 0 C--N 1.309 -0.922 0 C-N-CA 120.558 -0.83 . . . . 0.0 114.703 170.499 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' PHE . . . . . 0.517 ' HB2' HG13 ' A' ' 21' ' ' VAL . 52.0 t80 70.23 -49.3 0.64 Allowed 'General case' 0 N--CA 1.475 0.782 0 C-N-CA 125.112 1.365 . . . . 0.0 114.041 177.908 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 18.7 p -67.91 -12.92 61.65 Favored 'General case' 0 C--N 1.315 -0.9 0 N-CA-C 113.479 0.918 . . . . 0.0 113.479 -174.944 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 78.4 t60 -64.0 125.1 23.34 Favored 'General case' 0 N--CA 1.444 -0.752 0 N-CA-C 107.468 -1.308 . . . . 0.0 107.468 173.847 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 21.1 t-80 -55.74 -32.36 63.32 Favored 'General case' 0 N--CA 1.471 0.611 0 N-CA-C 113.825 1.046 . . . . 0.0 113.825 -170.697 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 33.8 mmtp -64.6 -33.22 75.41 Favored 'General case' 0 C--N 1.324 -0.53 0 C-N-CA 119.717 -0.793 . . . . 0.0 111.966 176.816 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 47.2 t -68.23 -38.86 80.23 Favored 'Isoleucine or valine' 0 C--O 1.24 0.593 0 N-CA-C 108.453 -0.943 . . . . 0.0 108.453 178.559 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 63.3 mt -63.39 -37.73 80.31 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.783 0 CA-C-N 115.286 -0.87 . . . . 0.0 109.158 176.069 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 23.0 t -64.49 -45.21 88.29 Favored 'General case' 0 N--CA 1.444 -0.762 0 CA-C-N 115.895 -0.593 . . . . 0.0 109.745 177.811 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 16.4 m-85 -64.12 -33.41 75.71 Favored 'General case' 0 N--CA 1.464 0.241 0 CA-C-O 120.814 0.34 . . . . 0.0 110.446 179.643 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 35' ' ' SER . . . . . 0.423 ' HA ' HD11 ' A' ' 17' ' ' LEU . 39.9 m -64.53 -41.58 96.28 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.144 177.807 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 36' ' ' GLN . . . . . 0.542 ' O ' ' HG3' ' A' ' 40' ' ' ARG . 48.6 mt-30 -71.83 -31.14 66.22 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.284 179.205 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 42.9 tt0 -65.91 -44.0 86.47 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 115.729 -0.669 . . . . 0.0 109.84 177.341 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 6.7 tt -63.79 -43.91 94.92 Favored 'General case' 0 CA--C 1.517 -0.304 0 N-CA-C 108.489 -0.93 . . . . 0.0 108.489 177.757 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 21.7 t70 -55.68 -36.45 67.14 Favored 'General case' 0 C--O 1.216 -0.681 0 CA-C-N 115.566 -0.743 . . . . 0.0 111.632 178.87 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 40' ' ' ARG . . . . . 0.542 ' HG3' ' O ' ' A' ' 36' ' ' GLN . 99.0 mtt180 -63.1 -45.45 91.98 Favored 'General case' 0 N--CA 1.472 0.646 0 CA-C-O 120.848 0.356 . . . . 0.0 110.385 178.33 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 89.4 mt -69.08 -41.83 77.02 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.657 -0.701 . . . . 0.0 109.967 179.928 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 47.8 tp -61.41 -40.93 96.21 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-N 115.371 -0.831 . . . . 0.0 110.567 178.698 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 15.9 t-20 -63.73 -25.42 68.19 Favored 'General case' 0 C--O 1.215 -0.73 0 CA-C-N 115.305 -0.861 . . . . 0.0 110.409 -179.251 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 96.6 mt -69.15 -35.46 76.37 Favored 'General case' 0 N--CA 1.443 -0.787 0 CA-C-N 116.466 -0.334 . . . . 0.0 110.543 177.044 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 79.9 mt -67.64 -37.24 82.16 Favored 'General case' 0 N--CA 1.471 0.603 0 N-CA-C 109.484 -0.561 . . . . 0.0 109.484 175.039 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 66.2 mt -63.87 -40.95 90.91 Favored 'Isoleucine or valine' 0 C--O 1.242 0.663 0 CA-C-N 115.211 -0.904 . . . . 0.0 109.107 176.953 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 47' ' ' GLU . . . . . 0.447 ' O ' ' HG2' ' A' ' 51' ' ' LYS . 5.6 tp10 -56.75 -50.94 70.75 Favored 'General case' 0 C--O 1.217 -0.633 0 CA-C-N 114.906 -1.043 . . . . 0.0 110.085 177.768 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -60.55 -34.4 74.1 Favored 'General case' 0 N--CA 1.473 0.679 0 N-CA-C 112.937 0.717 . . . . 0.0 112.937 179.724 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 49' ' ' LYS . . . . . 0.469 ' HD3' ' CG ' ' A' ' 61' ' ' HIS . 59.5 mttp -67.48 -39.12 85.23 Favored 'General case' 0 C--N 1.318 -0.766 0 CA-C-O 121.838 0.827 . . . . 0.0 109.738 176.226 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 21.4 m -73.4 -18.28 61.17 Favored 'General case' 0 CA--C 1.557 1.214 0 CA-C-N 114.892 -1.049 . . . . 0.0 110.602 -179.786 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 51' ' ' LYS . . . . . 0.447 ' HG2' ' O ' ' A' ' 47' ' ' GLU . 73.9 mmtt -70.65 -16.56 62.83 Favored 'General case' 0 CA--C 1.508 -0.659 0 CA-C-N 116.224 -0.443 . . . . 0.0 112.082 177.797 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 64.1 pttt 53.44 1.57 0.02 OUTLIER 'General case' 0 N--CA 1.514 2.77 0 C-N-CA 126.679 1.992 . . . . 0.0 115.865 173.726 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 14.3 ptmm? -79.57 -24.7 41.89 Favored 'General case' 0 C--N 1.305 -1.335 0 N-CA-C 112.734 0.642 . . . . 0.0 112.734 -176.221 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 25.7 mtp180 -98.69 -178.57 4.03 Favored 'General case' 0 C--N 1.306 -1.318 0 C-N-CA 120.81 -0.356 . . . . 0.0 110.393 179.423 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 63.1 m-85 -84.43 22.43 1.27 Allowed 'General case' 0 N--CA 1.478 0.932 0 CA-C-O 121.682 0.753 . . . . 0.0 111.429 -176.363 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 26.8 t -79.25 -1.55 37.04 Favored 'General case' 0 N--CA 1.434 -1.244 0 CA-C-N 115.591 -0.731 . . . . 0.0 111.9 -175.428 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 77.9 mt -90.65 -6.74 54.17 Favored 'General case' 0 C--O 1.238 0.493 0 N-CA-C 109.305 -0.628 . . . . 0.0 109.305 176.947 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 85.0 mt -83.95 -33.44 24.64 Favored 'General case' 0 N--CA 1.449 -0.52 0 N-CA-C 108.403 -0.962 . . . . 0.0 108.403 175.617 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -92.07 97.4 10.91 Favored 'General case' 0 C--N 1.312 -1.038 0 N-CA-C 107.942 -1.133 . . . . 0.0 107.942 176.826 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 28.2 p80 -67.89 137.19 55.07 Favored 'General case' 0 C--O 1.249 1.048 0 CA-C-O 122.048 0.928 . . . . 0.0 112.064 -176.779 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 61' ' ' HIS . . . . . 0.469 ' CG ' ' HD3' ' A' ' 49' ' ' LYS . 13.0 p80 -130.17 6.15 4.93 Favored 'General case' 0 C--N 1.295 -1.762 0 CA-C-N 114.229 -1.351 . . . . 0.0 112.225 -171.604 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 9.3 p-80 -72.23 176.81 4.9 Favored 'General case' 0 C--N 1.311 -1.074 0 CA-C-O 120.962 0.41 . . . . 0.0 111.32 179.731 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 42.7 t-80 65.55 73.96 0.38 Allowed 'General case' 0 C--N 1.318 -0.802 0 C-N-CA 124.846 1.259 . . . . 0.0 111.73 -179.601 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 20.6 t60 . . . . . 0 C--N 1.306 -1.319 0 N-CA-C 105.62 -1.993 . . . . 0.0 105.62 175.149 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 25.7 ttt . . . . . 0 N--CA 1.472 0.644 0 CA-C-O 120.732 0.301 . . . . 0.0 111.292 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 29.2 m-80 -117.53 105.73 12.4 Favored 'General case' 0 CA--C 1.491 -1.3 0 C-N-CA 120.934 -0.307 . . . . 0.0 110.697 -172.195 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 28.1 m -64.89 -24.57 35.82 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.953 0 C-N-CA 120.739 -0.384 . . . . 0.0 110.454 176.724 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 8.7 t -65.48 -32.89 74.75 Favored 'General case' 0 CA--C 1.551 0.995 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.992 175.933 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' LYS . . . . . 0.51 ' O ' ' HG3' ' A' ' 9' ' ' ARG . 31.9 mmtp -76.04 -37.29 58.52 Favored 'General case' 0 CA--C 1.5 -0.971 0 N-CA-C 109.668 -0.493 . . . . 0.0 109.668 178.056 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 23.4 tp -65.7 -38.97 90.69 Favored 'General case' 0 C--N 1.31 -1.128 0 N-CA-C 108.943 -0.762 . . . . 0.0 108.943 177.145 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' ASN . . . . . 0.417 ' O ' ' HB ' ' A' ' 10' ' ' ILE . 26.4 t-20 -60.94 -39.43 89.45 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.452 -0.795 . . . . 0.0 110.071 174.405 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 13.7 t70 -65.9 -36.31 83.05 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-N 115.623 -0.717 . . . . 0.0 110.384 179.09 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' ARG . . . . . 0.51 ' HG3' ' O ' ' A' ' 5' ' ' LYS . 97.1 mtt180 -65.84 -32.83 74.58 Favored 'General case' 0 C--O 1.243 0.72 0 CA-C-N 115.962 -0.563 . . . . 0.0 109.696 176.765 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.551 ' O ' ' HG3' ' A' ' 14' ' ' LYS . 83.0 mt -64.7 -39.36 85.37 Favored 'Isoleucine or valine' 0 C--O 1.21 -1.026 0 CA-C-N 115.494 -0.775 . . . . 0.0 109.541 174.989 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 11' ' ' GLU . . . . . 0.531 ' O ' ' HG3' ' A' ' 15' ' ' LYS . 39.7 tt0 -55.09 -49.3 72.03 Favored 'General case' 0 N--CA 1.472 0.645 0 CA-C-O 120.917 0.389 . . . . 0.0 110.418 179.256 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -66.09 -27.17 67.86 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.806 -0.633 . . . . 0.0 111.051 -179.782 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 55.5 tptt -75.87 -39.02 57.3 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-N 115.741 -0.663 . . . . 0.0 109.572 179.142 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.551 ' HG3' ' O ' ' A' ' 10' ' ' ILE . 50.3 mtpt -62.26 -47.57 83.76 Favored 'General case' 0 C--O 1.218 -0.556 0 CA-C-N 115.592 -0.731 . . . . 0.0 109.399 178.082 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.531 ' HG3' ' O ' ' A' ' 11' ' ' GLU . 29.2 mtpp -59.05 -43.75 91.73 Favored 'General case' 0 N--CA 1.469 0.51 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.147 179.887 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 30.8 tt0 -58.76 -48.92 79.55 Favored 'General case' 0 C--O 1.246 0.902 0 CA-C-N 114.792 -1.095 . . . . 0.0 110.31 179.315 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.448 ' O ' HG23 ' A' ' 21' ' ' VAL . 34.3 tp -67.27 -48.69 66.94 Favored 'General case' 0 N--CA 1.445 -0.697 0 CA-C-N 115.021 -0.99 . . . . 0.0 110.735 -177.625 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.477 ' O ' ' HG2' ' A' ' 22' ' ' GLU . 76.7 mt -53.89 -45.59 63.29 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.455 0 C-N-CA 122.826 0.45 . . . . 0.0 110.701 179.335 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 87.8 t80 -54.32 -45.49 72.62 Favored 'General case' 0 C--O 1.245 0.827 0 C-N-CA 123.41 0.684 . . . . 0.0 111.142 178.923 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 92.1 mt -71.76 -39.59 69.9 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.176 -178.702 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.529 ' HA ' ' O ' ' A' ' 25' ' ' GLY . 67.6 t -64.77 -39.96 87.42 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.64 0 CA-C-N 116.465 -0.334 . . . . 0.0 110.933 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.477 ' HG2' ' O ' ' A' ' 18' ' ' ILE . 36.5 mm-40 -64.0 -44.01 93.94 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-O 120.972 0.415 . . . . 0.0 110.886 178.458 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 8.4 mtpm? -82.49 -47.91 11.66 Favored 'General case' 0 C--N 1.321 -0.645 0 N-CA-C 114.231 1.197 . . . . 0.0 114.231 -175.478 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 73.3 m-85 -103.72 -39.93 6.48 Favored 'General case' 0 C--N 1.307 -1.248 0 CA-C-O 121.216 0.531 . . . . 0.0 111.247 -175.849 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' GLY . . . . . 0.529 ' O ' ' HA ' ' A' ' 21' ' ' VAL . . . 121.58 -157.61 16.4 Favored Glycine 0 C--N 1.29 -1.98 0 N-CA-C 109.248 -1.541 . . . . 0.0 109.248 -175.045 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 43.3 p90 -135.36 17.26 3.4 Favored 'General case' 0 C--N 1.303 -1.454 0 CA-C-N 117.692 0.746 . . . . 0.0 111.303 -177.406 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 4.9 m -88.53 -25.54 22.48 Favored 'General case' 0 C--N 1.294 -1.846 0 N-CA-C 112.23 0.456 . . . . 0.0 112.23 -174.65 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 37.3 p-80 -82.65 160.36 22.47 Favored 'General case' 0 C--O 1.244 0.813 0 C-N-CA 120.096 -0.642 . . . . 0.0 111.916 -176.555 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 73.8 m-70 -60.87 -32.26 71.7 Favored 'General case' 0 N--CA 1.477 0.881 0 N-CA-C 115.034 1.494 . . . . 0.0 115.034 -171.814 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -62.52 -47.6 83.23 Favored 'General case' 0 C--N 1.321 -0.649 0 C-N-CA 120.199 -0.6 . . . . 0.0 111.377 -179.878 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.445 HG13 HD11 ' A' ' 17' ' ' LEU . 85.1 t -61.75 -42.31 93.9 Favored 'Isoleucine or valine' 0 C--O 1.239 0.525 0 N-CA-C 110.105 -0.331 . . . . 0.0 110.105 178.988 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 68.8 mt -57.63 -48.86 82.34 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.473 0 CA-C-N 115.839 -0.619 . . . . 0.0 109.612 177.878 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 34.9 m -61.09 -41.52 96.81 Favored 'General case' 0 N--CA 1.446 -0.655 0 CA-C-N 115.793 -0.639 . . . . 0.0 111.44 179.603 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 25.9 m-85 -68.44 -33.57 74.43 Favored 'General case' 0 N--CA 1.453 -0.308 0 N-CA-C 111.801 0.297 . . . . 0.0 111.801 179.419 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 22.7 t -69.48 -35.71 75.84 Favored 'General case' 0 C--N 1.322 -0.617 0 N-CA-C 109.677 -0.49 . . . . 0.0 109.677 178.566 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 93.9 mt-30 -68.99 -35.19 76.42 Favored 'General case' 0 N--CA 1.468 0.471 0 CA-C-O 121.462 0.648 . . . . 0.0 109.646 175.758 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 30.1 tt0 -71.09 -41.82 70.13 Favored 'General case' 0 N--CA 1.44 -0.935 0 CA-C-N 115.404 -0.817 . . . . 0.0 110.488 179.813 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 6.4 tt -61.98 -42.76 99.49 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 107.977 -1.12 . . . . 0.0 107.977 176.796 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 17.1 t70 -56.38 -41.4 76.15 Favored 'General case' 0 C--O 1.22 -0.499 0 CA-C-N 115.044 -0.98 . . . . 0.0 111.318 176.102 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 40' ' ' ARG . . . . . 0.415 ' O ' ' HG ' ' A' ' 44' ' ' LEU . 34.4 ttp180 -65.07 -42.65 93.98 Favored 'General case' 0 C--N 1.318 -0.791 0 CA-C-N 115.843 -0.617 . . . . 0.0 111.063 -179.215 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 10.9 mp -66.26 -41.4 89.96 Favored 'General case' 0 N--CA 1.47 0.552 0 CA-C-O 121.099 0.476 . . . . 0.0 110.527 175.941 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 6.6 tt -63.73 -35.88 82.04 Favored 'General case' 0 C--N 1.322 -0.629 0 N-CA-C 109.291 -0.633 . . . . 0.0 109.291 179.567 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 43' ' ' ASN . . . . . 0.435 ' HA ' HD12 ' A' ' 46' ' ' ILE . 18.0 t-20 -65.6 -27.23 68.25 Favored 'General case' 0 C--N 1.317 -0.821 0 CA-C-N 115.748 -0.66 . . . . 0.0 110.988 -179.588 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.507 ' O ' ' HB3' ' A' ' 47' ' ' GLU . 87.3 mt -68.27 -31.59 71.16 Favored 'General case' 0 C--N 1.317 -0.821 0 CA-C-O 121.236 0.541 . . . . 0.0 109.885 177.265 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 9.6 mp -73.91 -33.65 64.06 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.627 174.599 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.435 HD12 ' HA ' ' A' ' 43' ' ' ASN . 63.3 mt -59.56 -37.7 71.72 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.59 0 CA-C-O 121.808 0.813 . . . . 0.0 109.284 176.072 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 47' ' ' GLU . . . . . 0.507 ' HB3' ' O ' ' A' ' 44' ' ' LEU . 26.5 tt0 -58.08 -29.82 65.74 Favored 'General case' 0 CA--C 1.555 1.169 0 C-N-CA 125.114 1.366 . . . . 0.0 111.352 176.948 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -64.25 -36.26 83.52 Favored 'General case' 0 C--N 1.325 -0.485 0 C-N-CA 122.846 0.458 . . . . 0.0 111.603 -176.182 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 4.2 mptp? -69.77 -30.61 68.22 Favored 'General case' 0 C--O 1.216 -0.674 0 N-CA-C 111.747 0.277 . . . . 0.0 111.747 -177.336 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 14.4 m -59.74 -17.59 36.17 Favored 'General case' 0 CA--C 1.558 1.28 0 C-N-CA 124.641 1.176 . . . . 0.0 112.974 -176.733 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 51' ' ' LYS . . . . . 0.465 ' NZ ' ' HG2' ' A' ' 47' ' ' GLU . 13.7 mptt -70.93 -21.65 62.33 Favored 'General case' 0 C--N 1.327 -0.413 0 O-C-N 121.967 -0.458 . . . . 0.0 110.797 177.128 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . 0.294 18.7 ptpt 54.21 -8.61 0.01 OUTLIER 'General case' 0 N--CA 1.498 1.938 0 C-N-CA 127.32 2.248 . . . . 0.0 116.279 -179.45 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 53' ' ' LYS . . . . . 0.416 ' H ' ' C ' ' A' ' 51' ' ' LYS . 64.3 pttt -81.51 -9.27 59.74 Favored 'General case' 0 C--N 1.31 -1.125 0 N-CA-C 107.089 -1.448 . . . . 0.0 107.089 171.505 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 40.2 mmt180 -92.39 113.85 26.23 Favored 'General case' 0 CA--C 1.469 -2.156 0 N-CA-C 105.183 -2.154 . . . . 0.0 105.183 171.998 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 98.6 m-85 -79.39 75.35 5.99 Favored 'General case' 0 N--CA 1.419 -2.023 0 CA-C-O 122.436 1.112 . . . . 0.0 113.156 -172.988 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 45.5 m -108.26 7.94 27.56 Favored 'General case' 0 C--N 1.286 -2.156 0 CA-C-N 113.369 -1.741 . . . . 0.0 109.014 170.473 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 6.3 mp -70.47 -23.62 62.72 Favored 'General case' 0 N--CA 1.472 0.665 0 N-CA-C 112.375 0.509 . . . . 0.0 112.375 -175.932 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -92.66 -10.43 37.31 Favored 'General case' 0 C--N 1.315 -0.917 0 CA-C-O 121.374 0.606 . . . . 0.0 109.388 177.992 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 40.7 mt-10 -92.22 -76.93 0.45 Allowed 'General case' 0 C--N 1.313 -0.997 0 CA-C-N 115.307 -0.861 . . . . 0.0 108.684 177.172 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 54.9 t-80 -172.45 119.76 0.39 Allowed 'General case' 0 C--N 1.296 -1.736 0 N-CA-C 106.222 -1.769 . . . . 0.0 106.222 -178.11 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 57.4 t-80 -94.39 151.12 19.64 Favored 'General case' 0 C--N 1.3 -1.556 0 N-CA-C 108.727 -0.842 . . . . 0.0 108.727 -176.67 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 87.8 m-70 -124.54 138.19 54.35 Favored 'General case' 0 C--N 1.311 -1.086 0 O-C-N 122.571 -0.081 . . . . 0.0 110.967 -178.361 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 37.0 m80 68.57 101.47 0.05 Allowed 'General case' 0 N--CA 1.472 0.635 0 C-N-CA 125.05 1.34 . . . . 0.0 110.167 -176.003 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 71.1 m80 . . . . . 0 C--N 1.311 -1.074 0 CA-C-N 115.23 -0.895 . . . . 0.0 110.74 -175.727 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.8 mpt? . . . . . 0 N--CA 1.473 0.678 0 N-CA-C 111.909 0.337 . . . . 0.0 111.909 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 17.6 m120 -137.03 127.56 26.8 Favored 'General case' 0 CA--C 1.5 -0.95 0 N-CA-C 110.231 -0.285 . . . . 0.0 110.231 -179.348 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 30.6 m -68.98 -25.29 29.68 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.745 0 N-CA-C 111.919 0.34 . . . . 0.0 111.919 178.793 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 9.6 t -67.95 -35.67 78.78 Favored 'General case' 0 CA--C 1.549 0.917 0 C-N-CA 120.301 -0.56 . . . . 0.0 109.727 176.459 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' LYS . . . . . 0.438 ' O ' ' HG3' ' A' ' 9' ' ' ARG . 13.4 mptt -73.64 -30.94 63.25 Favored 'General case' 0 N--CA 1.449 -0.515 0 O-C-N 122.187 -0.321 . . . . 0.0 110.428 175.699 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.529 ' O ' HG13 ' A' ' 10' ' ' ILE . 48.1 tp -61.84 -49.57 75.75 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 108.323 -0.992 . . . . 0.0 108.323 174.114 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 41.4 t30 -58.2 -42.17 85.58 Favored 'General case' 0 N--CA 1.474 0.757 0 C-N-CA 123.66 0.784 . . . . 0.0 110.826 177.908 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 18.4 t70 -58.62 -43.2 89.56 Favored 'General case' 0 N--CA 1.47 0.562 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.265 178.399 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' ARG . . . . . 0.438 ' HG3' ' O ' ' A' ' 5' ' ' LYS . 82.2 mtp180 -64.03 -42.26 97.14 Favored 'General case' 0 C--O 1.218 -0.572 0 CA-C-N 115.671 -0.695 . . . . 0.0 110.51 177.236 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.529 HG13 ' O ' ' A' ' 6' ' ' LEU . 80.5 mt -62.73 -41.71 93.4 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.611 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.53 -179.57 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 33.0 tt0 -65.63 -40.04 92.14 Favored 'General case' 0 C--N 1.317 -0.826 0 CA-C-O 121.441 0.639 . . . . 0.0 109.895 179.628 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -68.15 -25.0 65.05 Favored 'General case' 0 C--N 1.315 -0.899 0 CA-C-N 115.489 -0.778 . . . . 0.0 110.449 177.234 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 54.6 tptt -77.3 -33.79 55.59 Favored 'General case' 0 N--CA 1.448 -0.572 0 N-CA-C 108.831 -0.803 . . . . 0.0 108.831 -179.491 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.529 ' O ' HG13 ' A' ' 18' ' ' ILE . 95.7 mttt -63.32 -48.6 77.37 Favored 'General case' 0 CA--C 1.507 -0.68 0 CA-C-N 115.467 -0.788 . . . . 0.0 109.072 177.199 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 34.5 mmtp -64.99 -30.75 71.76 Favored 'General case' 0 N--CA 1.467 0.392 0 CA-C-N 115.33 -0.85 . . . . 0.0 110.432 -179.714 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 33.2 tt0 -69.78 -45.23 68.46 Favored 'General case' 0 N--CA 1.44 -0.973 0 N-CA-C 107.937 -1.134 . . . . 0.0 107.937 -178.956 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 5.1 mt -64.15 -36.48 84.2 Favored 'General case' 0 C--O 1.211 -0.953 0 CA-C-N 115.168 -0.924 . . . . 0.0 112.164 177.256 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.529 HG13 ' O ' ' A' ' 14' ' ' LYS . 77.2 mt -62.01 -48.56 87.98 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.637 0 N-CA-C 109.1 -0.704 . . . . 0.0 109.1 176.768 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 19' ' ' TYR . . . . . 0.529 ' O ' ' HG2' ' A' ' 23' ' ' LYS . 92.3 t80 -63.43 -52.19 62.55 Favored 'General case' 0 N--CA 1.437 -1.088 0 CA-C-N 115.436 -0.802 . . . . 0.0 110.972 179.375 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 89.5 mt -65.21 -35.1 80.02 Favored 'General case' 0 C--N 1.319 -0.736 0 N-CA-C 113.224 0.824 . . . . 0.0 113.224 -176.65 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.407 HG12 ' O ' ' A' ' 18' ' ' ILE . 8.4 p -66.43 -39.56 84.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 C-N-CA 120.359 -0.536 . . . . 0.0 109.836 -179.187 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.427 ' HG3' ' O ' ' A' ' 18' ' ' ILE . 43.9 mt-10 -68.92 -37.35 78.87 Favored 'General case' 0 C--N 1.307 -1.278 0 CA-C-N 115.855 -0.611 . . . . 0.0 112.073 177.207 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.529 ' HG2' ' O ' ' A' ' 19' ' ' TYR . 32.3 mmmt -78.77 -39.11 36.92 Favored 'General case' 0 N--CA 1.47 0.525 0 N-CA-C 112.637 0.606 . . . . 0.0 112.637 -176.722 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 24.4 m-85 -86.08 -42.58 13.8 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-O 120.922 0.391 . . . . 0.0 111.327 -179.674 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 134.47 146.03 5.34 Favored Glycine 0 N--CA 1.428 -1.847 0 N-CA-C 110.336 -1.106 . . . . 0.0 110.336 -178.211 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 97.2 m-85 -72.03 128.07 34.56 Favored 'General case' 0 C--N 1.305 -1.351 0 N-CA-C 109.154 -0.684 . . . . 0.0 109.154 -179.739 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 19.1 m 65.53 83.51 0.17 Allowed 'General case' 0 C--O 1.245 0.822 0 C-N-CA 124.217 1.007 . . . . 0.0 109.174 -172.261 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 51.7 t-80 -134.27 142.92 47.48 Favored 'General case' 0 C--N 1.302 -1.46 0 N-CA-C 106.894 -1.521 . . . . 0.0 106.894 -177.621 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 24.4 p-80 -54.65 -40.26 68.84 Favored 'General case' 0 C--N 1.318 -0.763 0 N-CA-C 113.55 0.944 . . . . 0.0 113.55 -174.511 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 63.3 mttp -70.41 -40.17 74.03 Favored 'General case' 0 CA--C 1.516 -0.342 0 N-CA-C 112.092 0.404 . . . . 0.0 112.092 -179.106 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 21.2 m -67.98 -32.83 57.94 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.236 0 C-N-CA 120.215 -0.594 . . . . 0.0 111.081 -177.363 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 77.5 mt -62.31 -42.33 95.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 CA-C-N 115.925 -0.58 . . . . 0.0 109.442 175.936 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 18.0 m -64.71 -41.05 96.28 Favored 'General case' 0 CA--C 1.541 0.628 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.498 177.863 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 18.1 m-85 -66.68 -36.8 83.38 Favored 'General case' 0 C--O 1.24 0.575 0 CA-C-N 116.431 -0.35 . . . . 0.0 110.279 179.433 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 34.3 t -64.1 -43.11 96.37 Favored 'General case' 0 N--CA 1.443 -0.78 0 CA-C-N 115.693 -0.685 . . . . 0.0 110.55 179.47 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 79.6 mt-30 -63.71 -34.05 77.0 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 116.619 -0.264 . . . . 0.0 111.476 178.915 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 7.7 mm-40 -68.91 -47.6 65.39 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.911 175.474 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 6.2 tt -58.22 -42.62 86.68 Favored 'General case' 0 N--CA 1.466 0.365 0 N-CA-C 108.792 -0.818 . . . . 0.0 108.792 178.625 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 24.5 t70 -62.53 -40.77 97.84 Favored 'General case' 0 C--N 1.317 -0.84 0 CA-C-N 115.332 -0.849 . . . . 0.0 110.912 -179.362 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 63.7 ttp85 -68.75 -43.05 76.63 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.696 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.419 ' O ' ' HB2' ' A' ' 44' ' ' LEU . 10.7 mp -67.86 -36.21 79.89 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 120.843 0.354 . . . . 0.0 110.843 177.367 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 53.2 tp -61.05 -41.67 97.04 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 121.615 0.721 . . . . 0.0 109.221 175.473 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 65.2 t30 -63.45 -33.8 76.35 Favored 'General case' 0 N--CA 1.438 -1.032 0 CA-C-N 114.849 -1.068 . . . . 0.0 110.337 179.699 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.419 ' HB2' ' O ' ' A' ' 41' ' ' LEU . 72.7 mt -56.39 -41.97 77.15 Favored 'General case' 0 N--CA 1.47 0.561 0 C-N-CA 123.032 0.533 . . . . 0.0 111.7 177.601 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 90.5 mt -60.82 -38.64 86.12 Favored 'General case' 0 C--O 1.241 0.621 0 CA-C-O 121.091 0.472 . . . . 0.0 110.327 179.037 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 36.8 mt -73.74 -50.96 26.56 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.053 0 CA-C-N 115.346 -0.843 . . . . 0.0 109.709 179.604 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 47' ' ' GLU . . . . . 0.46 ' O ' ' HG2' ' A' ' 51' ' ' LYS . 36.3 tt0 -56.5 -53.26 59.53 Favored 'General case' 0 C--N 1.32 -0.684 0 C-N-CA 124.455 1.102 . . . . 0.0 111.692 -176.353 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.413 ' HB3' HD11 ' A' ' 57' ' ' LEU . 4.5 mm? -59.69 -41.27 90.36 Favored 'General case' 0 N--CA 1.441 -0.879 0 CA-C-N 115.739 -0.664 . . . . 0.0 112.681 -177.569 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 37.1 mtmm -70.04 -33.63 72.21 Favored 'General case' 0 C--N 1.324 -0.525 0 C-N-CA 120.208 -0.597 . . . . 0.0 111.599 178.535 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 65.9 m -65.83 -40.02 91.38 Favored 'General case' 0 N--CA 1.441 -0.895 0 CA-C-N 116.437 -0.347 . . . . 0.0 110.835 178.909 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 51' ' ' LYS . . . . . 0.477 ' C ' ' H ' ' A' ' 53' ' ' LYS . 15.5 ptpt -84.55 -61.12 1.87 Allowed 'General case' 0 N--CA 1.427 -1.577 0 C-N-CA 119.433 -0.907 . . . . 0.0 111.335 179.337 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 65.2 pttt 43.66 -0.17 0.0 OUTLIER 'General case' 0 N--CA 1.518 2.965 0 C-N-CA 127.457 2.303 . . . . 0.0 116.617 -176.231 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 53' ' ' LYS . . . . . 0.477 ' H ' ' C ' ' A' ' 51' ' ' LYS . 13.5 ptmm? -86.36 -13.65 45.81 Favored 'General case' 0 C--N 1.293 -1.884 0 C-N-CA 124.982 1.313 . . . . 0.0 109.672 179.169 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 14.4 mmt180 -82.28 146.2 29.58 Favored 'General case' 0 N--CA 1.423 -1.821 0 CA-C-N 114.918 -1.037 . . . . 0.0 108.919 175.676 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 91.7 m-85 -78.15 8.01 5.46 Favored 'General case' 0 C--N 1.302 -1.483 0 CA-C-N 115.692 -0.685 . . . . 0.0 112.646 -173.115 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 56' ' ' SER . . . . . 0.436 ' HA ' ' HB2' ' A' ' 61' ' ' HIS . 4.0 p -76.48 -32.0 58.1 Favored 'General case' 0 C--N 1.3 -1.553 0 C-N-CA 123.273 0.629 . . . . 0.0 111.426 179.006 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.413 HD11 ' HB3' ' A' ' 48' ' ' LEU . 61.1 mt -92.46 -32.88 14.73 Favored 'General case' 0 CA--C 1.495 -1.14 0 CA-C-O 121.655 0.74 . . . . 0.0 109.452 175.94 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 58.1 mt -76.66 -63.4 1.36 Allowed 'General case' 0 C--N 1.298 -1.645 0 CA-C-N 114.463 -1.244 . . . . 0.0 111.448 -174.478 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 20.3 mm-40 -108.21 -162.26 0.82 Allowed 'General case' 0 C--N 1.295 -1.763 0 N-CA-C 107.735 -1.209 . . . . 0.0 107.735 -171.759 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 39.2 p-80 -82.41 143.53 31.13 Favored 'General case' 0 C--N 1.289 -2.047 0 N-CA-C 107.367 -1.345 . . . . 0.0 107.367 174.225 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 61' ' ' HIS . . . . . 0.436 ' HB2' ' HA ' ' A' ' 56' ' ' SER . 71.5 t60 -106.22 94.73 5.31 Favored 'General case' 0 C--N 1.286 -2.153 0 C-N-CA 119.532 -0.867 . . . . 0.0 109.48 178.889 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 12.4 t60 -135.49 109.01 7.91 Favored 'General case' 0 C--N 1.296 -1.743 0 N-CA-C 107.527 -1.286 . . . . 0.0 107.527 179.812 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 48.3 t-80 -84.71 133.66 34.37 Favored 'General case' 0 C--N 1.294 -1.841 0 N-CA-C 108.283 -1.006 . . . . 0.0 108.283 -178.878 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 40.6 m80 . . . . . 0 N--CA 1.423 -1.817 0 N-CA-C 108.573 -0.899 . . . . 0.0 108.573 179.052 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 52.1 ttp . . . . . 0 C--O 1.233 0.214 0 N-CA-C 109.549 -0.537 . . . . 0.0 109.549 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 15.6 m120 -49.88 130.56 21.77 Favored 'General case' 0 N--CA 1.478 0.953 0 C-N-CA 124.498 1.119 . . . . 0.0 110.531 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 26.8 m -64.4 -22.69 31.75 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.771 0 CA-C-O 121.142 0.496 . . . . 0.0 111.963 -178.656 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 11.9 t -65.69 -26.51 67.81 Favored 'General case' 0 N--CA 1.442 -0.863 0 N-CA-C 109.652 -0.499 . . . . 0.0 109.652 177.471 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' LYS . . . . . 0.417 ' O ' ' HG3' ' A' ' 9' ' ' ARG . 55.3 mttm -72.76 -35.97 67.59 Favored 'General case' 0 CA--C 1.512 -0.51 0 C-N-CA 122.693 0.397 . . . . 0.0 110.46 179.415 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 40.0 tp -67.27 -44.98 77.99 Favored 'General case' 0 C--N 1.315 -0.92 0 N-CA-C 109.057 -0.72 . . . . 0.0 109.057 178.031 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 63.1 t30 -66.41 -31.52 72.32 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.675 -0.693 . . . . 0.0 110.084 177.853 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 29.5 t70 -62.02 -40.22 94.96 Favored 'General case' 0 C--O 1.239 0.548 0 CA-C-N 115.749 -0.659 . . . . 0.0 110.313 178.611 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' ARG . . . . . 0.437 ' O ' ' HG2' ' A' ' 13' ' ' LYS . 21.5 mtp180 -62.64 -41.92 99.31 Favored 'General case' 0 CA--C 1.516 -0.329 0 CA-C-N 115.387 -0.824 . . . . 0.0 109.654 177.152 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.409 HG22 ' HD2' ' A' ' 14' ' ' LYS . 68.7 mt -58.88 -53.36 48.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 N-CA-C 109.149 -0.685 . . . . 0.0 109.149 177.397 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 23.6 mm-40 -54.74 -42.02 71.1 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.726 -0.67 . . . . 0.0 112.201 -179.808 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -71.74 -31.71 66.96 Favored 'General case' 0 C--N 1.317 -0.833 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.407 -179.938 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.437 ' HG2' ' O ' ' A' ' 9' ' ' ARG . 28.5 mmtp -77.27 -32.63 55.68 Favored 'General case' 0 C--O 1.217 -0.641 0 C-N-CA 119.771 -0.772 . . . . 0.0 110.934 178.184 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.533 ' HG3' HD21 ' A' ' 38' ' ' LEU . 58.0 mtpt -59.53 -46.39 89.01 Favored 'General case' 0 C--N 1.325 -0.466 0 C-N-CA 122.821 0.448 . . . . 0.0 110.653 176.773 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.64 -26.94 64.65 Favored 'General case' 0 C--O 1.247 0.973 0 CA-C-O 121.36 0.6 . . . . 0.0 111.135 -179.584 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.469 ' O ' ' HG ' ' A' ' 20' ' ' LEU . 35.4 tt0 -76.26 -44.46 37.15 Favored 'General case' 0 CA--C 1.501 -0.912 0 N-CA-C 107.949 -1.13 . . . . 0.0 107.949 -176.982 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.494 ' O ' HG23 ' A' ' 21' ' ' VAL . 20.3 mt -57.61 -45.29 85.52 Favored 'General case' 0 N--CA 1.431 -1.41 0 CA-C-N 114.915 -1.038 . . . . 0.0 112.583 177.292 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.461 HG13 ' O ' ' A' ' 14' ' ' LYS . 78.1 mt -56.47 -45.24 81.89 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.623 0 N-CA-C 109.892 -0.41 . . . . 0.0 109.892 178.592 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 72.8 t80 -64.73 -47.63 77.57 Favored 'General case' 0 C--O 1.246 0.885 0 CA-C-N 115.449 -0.796 . . . . 0.0 111.16 178.135 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.469 ' HG ' ' O ' ' A' ' 16' ' ' GLU . 92.2 mt -64.55 -41.52 96.28 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.928 -0.578 . . . . 0.0 112.181 -177.757 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.494 HG23 ' O ' ' A' ' 17' ' ' LEU . 69.6 t -57.19 -42.36 79.69 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.359 0 CA-C-O 121.034 0.445 . . . . 0.0 110.189 176.721 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 23.8 mm-40 -68.78 -40.7 79.54 Favored 'General case' 0 C--N 1.308 -1.236 0 N-CA-C 113.398 0.888 . . . . 0.0 113.398 179.715 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 38.9 ttpt -79.11 -45.17 20.58 Favored 'General case' 0 N--CA 1.417 -2.112 0 N-CA-C 112.495 0.554 . . . . 0.0 112.495 -177.942 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 96.7 m-85 -93.96 -38.39 11.2 Favored 'General case' 0 C--N 1.317 -0.815 0 N-CA-C 113.116 0.784 . . . . 0.0 113.116 -175.891 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 118.09 169.12 14.6 Favored Glycine 0 C--N 1.304 -1.242 0 N-CA-C 111.23 -0.748 . . . . 0.0 111.23 -177.383 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 95.8 m-85 -77.72 -34.67 52.57 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-O 121.005 0.431 . . . . 0.0 110.855 -178.637 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 27.7 p -84.66 -5.49 59.31 Favored 'General case' 0 C--N 1.311 -1.103 0 CA-C-N 115.697 -0.683 . . . . 0.0 112.621 -173.314 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 21.8 t60 -75.32 124.26 26.79 Favored 'General case' 0 N--CA 1.435 -1.195 0 N-CA-C 109.004 -0.739 . . . . 0.0 109.004 -175.517 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 17.0 t60 -58.1 -33.56 69.24 Favored 'General case' 0 N--CA 1.472 0.668 0 C-N-CA 123.522 0.729 . . . . 0.0 112.831 -171.296 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 47.3 mmtm -58.23 -45.34 87.88 Favored 'General case' 0 N--CA 1.469 0.517 0 C-N-CA 120.846 -0.341 . . . . 0.0 110.3 177.615 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 94.5 t -61.79 -41.55 91.06 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.642 0 CA-C-N 115.719 -0.673 . . . . 0.0 109.862 -178.949 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.429 ' O ' ' HG2' ' A' ' 36' ' ' GLN . 38.3 mm -61.21 -50.58 79.91 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.769 0 CA-C-N 115.246 -0.888 . . . . 0.0 108.776 177.613 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 38.1 t -53.49 -49.86 66.59 Favored 'General case' 0 C--N 1.316 -0.882 0 CA-C-N 114.955 -1.02 . . . . 0.0 111.738 178.615 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 34' ' ' PHE . . . . . 0.45 ' HB2' HD21 ' A' ' 17' ' ' LEU . 36.9 m-85 -64.13 -35.09 79.63 Favored 'General case' 0 C--O 1.241 0.625 0 CA-C-O 121.281 0.563 . . . . 0.0 110.424 179.621 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 29.8 t -69.3 -31.38 69.83 Favored 'General case' 0 CA--C 1.551 1.012 0 CA-C-N 115.417 -0.81 . . . . 0.0 110.885 179.122 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 36' ' ' GLN . . . . . 0.429 ' HG2' ' O ' ' A' ' 32' ' ' ILE . 30.8 mm-40 -63.86 -41.0 97.88 Favored 'General case' 0 C--O 1.242 0.686 0 N-CA-C 109.789 -0.449 . . . . 0.0 109.789 176.215 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 37' ' ' GLU . . . . . 0.474 ' O ' ' HG ' ' A' ' 41' ' ' LEU . 28.5 tt0 -66.18 -42.72 88.5 Favored 'General case' 0 C--O 1.222 -0.381 0 CA-C-N 115.443 -0.799 . . . . 0.0 109.486 178.357 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.533 HD21 ' HG3' ' A' ' 14' ' ' LYS . 3.4 tm? -55.54 -52.22 64.42 Favored 'General case' 0 C--O 1.239 0.536 0 CA-C-N 115.578 -0.737 . . . . 0.0 109.876 -179.773 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 22.6 t70 -60.53 -36.04 77.45 Favored 'General case' 0 C--N 1.318 -0.793 0 CA-C-N 115.47 -0.787 . . . . 0.0 111.179 179.231 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 40' ' ' ARG . . . . . 0.418 ' O ' ' HG ' ' A' ' 44' ' ' LEU . 42.6 ttm180 -67.25 -44.59 79.02 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.422 179.358 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.474 ' HG ' ' O ' ' A' ' 37' ' ' GLU . 93.5 mt -60.63 -43.11 97.89 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.87 -0.604 . . . . 0.0 110.426 178.76 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 51.3 tp -62.92 -42.07 99.67 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.75 -0.659 . . . . 0.0 109.88 177.555 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 21.8 t-20 -63.43 -30.15 71.32 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 115.246 -0.888 . . . . 0.0 111.055 -177.91 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.418 ' HG ' ' O ' ' A' ' 40' ' ' ARG . 96.1 mt -60.65 -46.99 88.24 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.889 177.121 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 98.6 mt -61.8 -43.83 98.06 Favored 'General case' 0 CA--C 1.514 -0.433 0 CA-C-O 121.311 0.576 . . . . 0.0 109.576 179.134 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 74.5 mt -62.1 -39.26 83.21 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.855 0 CA-C-N 115.004 -0.998 . . . . 0.0 110.48 179.839 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 32.3 tt0 -63.75 -46.72 84.04 Favored 'General case' 0 C--N 1.322 -0.63 0 C-N-CA 122.579 0.352 . . . . 0.0 110.627 179.703 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -61.69 -39.77 92.65 Favored 'General case' 0 N--CA 1.47 0.57 0 C-N-CA 120.762 -0.375 . . . . 0.0 111.221 177.694 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 62.3 mtpt -70.6 -33.07 70.65 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.891 -179.519 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 17.3 p -78.67 -37.01 42.86 Favored 'General case' 0 C--O 1.243 0.719 0 N-CA-C 111.932 0.345 . . . . 0.0 111.932 179.699 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 91.3 mttt -66.39 -42.54 87.74 Favored 'General case' 0 N--CA 1.441 -0.882 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.045 176.086 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 18.1 ptpt 51.18 15.87 0.32 Allowed 'General case' 0 N--CA 1.504 2.257 0 C-N-CA 126.755 2.022 . . . . 0.0 113.964 177.274 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.55 -8.15 54.78 Favored 'General case' 0 C--N 1.304 -1.387 0 CA-C-O 121.905 0.859 . . . . 0.0 112.517 -177.131 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 54' ' ' ARG . . . . . 0.42 ' C ' ' H ' ' A' ' 56' ' ' SER . 98.9 mtt180 -97.24 110.85 23.31 Favored 'General case' 0 N--CA 1.425 -1.692 0 N-CA-C 103.729 -2.693 . . . . 0.0 103.729 166.595 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 55.0 m-85 -81.21 24.41 0.53 Allowed 'General case' 0 C--N 1.296 -1.755 0 CA-C-O 121.248 0.547 . . . . 0.0 111.996 -170.978 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 56' ' ' SER . . . . . 0.507 ' HA ' ' O ' ' A' ' 59' ' ' GLU . 11.5 t -65.19 -21.76 66.81 Favored 'General case' 0 C--N 1.312 -1.03 0 C-N-CA 124.897 1.279 . . . . 0.0 109.52 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 87.5 mt -71.67 -27.15 62.86 Favored 'General case' 0 CA--C 1.534 0.344 0 CA-C-N 115.772 -0.649 . . . . 0.0 109.775 177.412 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 5.6 mp -94.31 -52.62 4.27 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 109.446 -0.576 . . . . 0.0 109.446 -178.936 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 59' ' ' GLU . . . . . 0.507 ' O ' ' HA ' ' A' ' 56' ' ' SER . 10.9 pt-20 -139.41 133.98 31.76 Favored 'General case' 0 N--CA 1.429 -1.499 0 N-CA-C 107.693 -1.225 . . . . 0.0 107.693 178.66 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 55.6 t-80 -77.06 89.59 3.59 Favored 'General case' 0 C--N 1.3 -1.58 0 N-CA-C 109.238 -0.653 . . . . 0.0 109.238 -179.249 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 19.7 p80 -76.94 124.76 28.23 Favored 'General case' 0 C--N 1.295 -1.78 0 CA-C-N 115.246 -0.888 . . . . 0.0 111.775 -179.617 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 50.0 m80 -96.36 -11.62 25.52 Favored 'General case' 0 C--N 1.301 -1.51 0 N-CA-C 106.64 -1.615 . . . . 0.0 106.64 175.384 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 53.0 t60 -77.01 93.69 3.87 Favored 'General case' 0 N--CA 1.431 -1.395 0 CA-C-N 113.555 -1.657 . . . . 0.0 108.454 176.228 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 35.0 m80 . . . . . 0 N--CA 1.411 -2.387 0 N-CA-C 108.225 -1.028 . . . . 0.0 108.225 178.473 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.6 ptt? . . . . . 0 CA--C 1.515 -0.376 0 N-CA-C 109.3 -0.63 . . . . 0.0 109.3 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' ASN . . . . . 0.482 ' O ' ' HG3' ' A' ' 5' ' ' LYS . 50.7 m-80 -112.29 114.28 26.96 Favored 'General case' 0 CA--C 1.505 -0.777 0 C-N-CA 120.96 -0.296 . . . . 0.0 110.633 179.371 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 35.8 m -74.0 -24.36 19.38 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.964 0 CA-C-O 121.203 0.525 . . . . 0.0 111.21 179.219 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 8.5 t -65.4 -28.49 69.29 Favored 'General case' 0 CA--C 1.549 0.938 0 CA-C-N 115.943 -0.571 . . . . 0.0 111.882 -176.794 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' LYS . . . . . 0.482 ' HG3' ' O ' ' A' ' 2' ' ' ASN . 0.0 OUTLIER -72.82 -28.69 62.71 Favored 'General case' 0 C--O 1.22 -0.452 0 CA-C-O 121.741 0.781 . . . . 0.0 110.101 179.958 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.418 ' O ' HG13 ' A' ' 10' ' ' ILE . 36.6 tp -72.71 -42.0 64.64 Favored 'General case' 0 N--CA 1.442 -0.875 0 CA-C-N 115.168 -0.924 . . . . 0.0 108.602 178.438 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 8.5 t30 -66.67 -31.72 72.57 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.546 -0.752 . . . . 0.0 110.082 179.533 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 14.6 t70 -66.82 -41.1 88.03 Favored 'General case' 0 N--CA 1.473 0.705 0 CA-C-N 115.569 -0.742 . . . . 0.0 110.07 175.697 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' ARG . . . . . 0.459 ' HG3' ' O ' ' A' ' 5' ' ' LYS . 77.1 mtp180 -67.16 -35.73 80.3 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.351 178.044 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.418 HG13 ' O ' ' A' ' 6' ' ' LEU . 70.1 mt -58.29 -40.91 79.67 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.751 0 N-CA-C 109.475 -0.565 . . . . 0.0 109.475 174.54 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 11' ' ' GLU . . . . . 0.488 ' HA ' ' HD3' ' A' ' 14' ' ' LYS . 5.6 tp10 -58.77 -42.55 89.23 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.316 -178.379 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -69.05 -34.01 74.51 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.894 179.549 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 32.6 mmmt -75.37 -35.57 61.07 Favored 'General case' 0 C--N 1.318 -0.803 0 CA-C-N 115.994 -0.548 . . . . 0.0 111.231 179.914 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.488 ' HD3' ' HA ' ' A' ' 11' ' ' GLU . 50.1 mtpt -60.14 -53.28 59.64 Favored 'General case' 0 C--N 1.327 -0.376 0 C-N-CA 122.946 0.498 . . . . 0.0 110.197 177.012 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 57.0 mtpt -62.17 -39.44 92.65 Favored 'General case' 0 C--O 1.243 0.713 0 CA-C-N 115.861 -0.609 . . . . 0.0 111.014 -178.171 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.446 ' O ' ' HG ' ' A' ' 20' ' ' LEU . 44.0 tt0 -61.71 -49.32 76.94 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.417 -0.81 . . . . 0.0 110.043 177.942 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.508 ' O ' HG23 ' A' ' 21' ' ' VAL . 56.9 tp -62.01 -45.96 91.31 Favored 'General case' 0 N--CA 1.443 -0.817 0 CA-C-N 115.779 -0.646 . . . . 0.0 110.7 -179.367 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.457 HG13 ' O ' ' A' ' 14' ' ' LYS . 88.3 mt -54.1 -45.76 66.02 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.864 0 O-C-N 123.293 0.371 . . . . 0.0 110.533 178.723 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 86.9 t80 -60.47 -43.37 96.99 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.209 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.446 ' HG ' ' O ' ' A' ' 16' ' ' GLU . 68.0 mt -72.17 -34.54 68.54 Favored 'General case' 0 C--N 1.31 -1.126 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.815 -178.343 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.508 HG23 ' O ' ' A' ' 17' ' ' LEU . 79.3 t -66.39 -36.99 78.68 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.832 0 N-CA-C 109.53 -0.544 . . . . 0.0 109.53 176.717 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 11.0 mm-40 -68.8 -49.32 59.51 Favored 'General case' 0 C--N 1.317 -0.828 0 N-CA-C 112.741 0.645 . . . . 0.0 112.741 175.814 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 75.2 mmtt -82.0 -48.53 11.33 Favored 'General case' 0 C--N 1.319 -0.744 0 N-CA-C 113.328 0.862 . . . . 0.0 113.328 -174.227 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 24.7 m-85 -87.96 -45.82 9.9 Favored 'General case' 0 C--N 1.31 -1.124 0 CA-C-O 121.558 0.694 . . . . 0.0 110.13 -176.884 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 109.44 168.52 20.3 Favored Glycine 0 N--CA 1.434 -1.482 0 CA-C-N 115.327 -0.851 . . . . 0.0 111.4 -179.919 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 37.3 p90 -85.33 166.43 16.46 Favored 'General case' 0 C--N 1.302 -1.459 0 O-C-N 122.93 -0.159 . . . . 0.0 110.715 -179.598 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 5.1 m 64.64 25.84 13.13 Favored 'General case' 0 CA--C 1.565 1.552 0 CA-C-O 122.577 1.18 . . . . 0.0 110.803 -179.654 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 61.2 t60 -105.76 137.17 44.08 Favored 'General case' 0 C--N 1.316 -0.884 0 N-CA-C 107.0 -1.481 . . . . 0.0 107.0 176.045 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 58.5 m80 -50.35 -45.26 54.94 Favored 'General case' 0 N--CA 1.491 1.606 0 N-CA-C 114.292 1.219 . . . . 0.0 114.292 -173.635 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 67.6 mttm -61.41 -52.39 64.76 Favored 'General case' 0 C--N 1.33 -0.266 0 N-CA-C 109.503 -0.554 . . . . 0.0 109.503 178.36 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 92.1 t -56.86 -40.1 69.24 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.637 0 CA-C-N 115.511 -0.768 . . . . 0.0 111.448 -178.457 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 79.3 mt -62.04 -42.49 95.15 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.628 0 CA-C-O 120.953 0.406 . . . . 0.0 110.212 177.391 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 27.7 m -63.33 -42.04 98.94 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.969 179.135 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 34' ' ' PHE . . . . . 0.436 ' HB2' HD13 ' A' ' 17' ' ' LEU . 89.8 m-85 -65.97 -37.54 86.24 Favored 'General case' 0 C--O 1.223 -0.326 0 CA-C-O 120.691 0.281 . . . . 0.0 110.872 177.079 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 43.4 m -62.93 -38.44 91.01 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-O 121.152 0.501 . . . . 0.0 110.015 178.259 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 51.6 mt-30 -63.92 -36.28 83.43 Favored 'General case' 0 N--CA 1.454 -0.249 0 CA-C-N 115.693 -0.685 . . . . 0.0 110.33 175.377 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 41.0 mt-10 -62.65 -50.59 70.6 Favored 'General case' 0 C--O 1.219 -0.521 0 N-CA-C 110.399 -0.223 . . . . 0.0 110.399 176.615 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -57.39 -48.3 79.42 Favored 'General case' 0 CA--C 1.514 -0.41 0 N-CA-C 112.563 0.579 . . . . 0.0 112.563 -179.816 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 25.8 t70 -59.52 -46.07 89.91 Favored 'General case' 0 C--O 1.242 0.667 0 O-C-N 123.511 0.507 . . . . 0.0 111.556 179.91 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 40' ' ' ARG . . . . . 0.545 ' O ' ' HG ' ' A' ' 44' ' ' LEU . 90.6 mtm180 -66.82 -46.16 76.02 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-N 115.977 -0.556 . . . . 0.0 111.903 -179.226 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 10.9 mp -63.6 -41.38 98.34 Favored 'General case' 0 C--O 1.219 -0.524 0 N-CA-C 111.695 0.257 . . . . 0.0 111.695 179.159 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 66.5 tp -58.71 -45.99 88.33 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 121.525 0.678 . . . . 0.0 110.083 176.709 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 33.2 m-80 -70.73 -16.95 62.82 Favored 'General case' 0 C--N 1.317 -0.812 0 N-CA-C 113.198 0.814 . . . . 0.0 113.198 -179.602 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.545 ' HG ' ' O ' ' A' ' 40' ' ' ARG . 69.1 mt -65.44 -32.19 73.69 Favored 'General case' 0 C--N 1.322 -0.623 0 N-CA-C 111.562 0.208 . . . . 0.0 111.562 176.595 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 7.0 mp -68.61 -37.04 79.46 Favored 'General case' 0 C--O 1.242 0.707 0 CA-C-O 121.478 0.656 . . . . 0.0 109.665 177.074 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 2.0 mp -71.15 -38.07 69.34 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.815 0 CA-C-N 114.831 -1.077 . . . . 0.0 109.476 178.268 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 47' ' ' GLU . . . . . 0.486 ' HB3' ' O ' ' A' ' 44' ' ' LEU . 20.5 tp10 -51.45 -55.72 17.25 Favored 'General case' 0 C--N 1.325 -0.482 0 C-N-CA 125.569 1.548 . . . . 0.0 111.58 -179.111 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.411 HD13 ' HD3' ' A' ' 51' ' ' LYS . 4.0 mm? -66.68 -41.43 88.14 Favored 'General case' 0 C--N 1.321 -0.668 0 N-CA-C 113.92 1.081 . . . . 0.0 113.92 -174.905 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 59.5 tttm -71.93 -37.02 70.1 Favored 'General case' 0 C--N 1.316 -0.848 0 C-N-CA 120.272 -0.571 . . . . 0.0 111.586 -177.282 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 20.2 m -77.99 -31.21 50.58 Favored 'General case' 0 C--N 1.306 -1.307 0 N-CA-C 112.336 0.495 . . . . 0.0 112.336 -174.693 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 51' ' ' LYS . . . . . 0.411 ' HD3' HD13 ' A' ' 48' ' ' LEU . 12.3 ptmt -73.95 -35.36 64.53 Favored 'General case' 0 N--CA 1.439 -1.008 0 C-N-CA 120.377 -0.529 . . . . 0.0 111.733 -178.102 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 52' ' ' LYS . . . . . 0.436 ' CB ' HD22 ' A' ' 57' ' ' LEU . 19.5 ptpt 53.09 7.85 0.09 Allowed 'General case' 0 N--CA 1.512 2.667 0 C-N-CA 126.576 1.95 . . . . 0.0 114.494 177.321 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -89.6 3.16 53.44 Favored 'General case' 0 C--N 1.312 -1.054 0 CA-C-O 121.544 0.688 . . . . 0.0 111.28 -177.642 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 54' ' ' ARG . . . . . 0.445 ' HD3' ' HA ' ' A' ' 54' ' ' ARG . 34.2 mmt180 -87.21 136.94 32.74 Favored 'General case' 0 N--CA 1.436 -1.147 0 CA-C-N 115.715 -0.675 . . . . 0.0 110.117 174.374 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 55' ' ' TYR . . . . . 0.546 ' O ' ' HG3' ' A' ' 59' ' ' GLU . 31.0 m-85 -39.07 -43.38 1.01 Allowed 'General case' 0 C--N 1.321 -0.662 0 C-N-CA 127.147 2.179 . . . . 0.0 113.595 -172.169 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 13.7 m -50.67 -35.45 30.92 Favored 'General case' 0 CA--C 1.548 0.895 0 C-N-CA 124.154 0.982 . . . . 0.0 113.196 -176.782 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.436 HD22 ' CB ' ' A' ' 52' ' ' LYS . 5.1 mp -84.53 -22.29 30.21 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.057 0.456 . . . . 0.0 111.228 -177.372 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -86.99 -17.27 33.43 Favored 'General case' 0 C--N 1.32 -0.705 0 N-CA-C 109.835 -0.431 . . . . 0.0 109.835 -179.502 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 59' ' ' GLU . . . . . 0.546 ' HG3' ' O ' ' A' ' 55' ' ' TYR . 44.6 mt-10 -70.75 -10.53 59.68 Favored 'General case' 0 C--O 1.24 0.564 0 CA-C-N 115.62 -0.718 . . . . 0.0 112.055 -179.88 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 36.5 m80 -93.06 94.44 8.87 Favored 'General case' 0 C--N 1.314 -0.977 0 N-CA-C 107.498 -1.297 . . . . 0.0 107.498 173.708 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 29.0 m-70 -80.41 170.05 16.9 Favored 'General case' 0 C--N 1.304 -1.379 0 CA-C-N 115.458 -0.792 . . . . 0.0 112.049 -175.317 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 97.1 m-70 74.32 166.27 0.29 Allowed 'General case' 0 C--O 1.245 0.823 0 C-N-CA 124.857 1.263 . . . . 0.0 112.194 -179.543 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 55.4 m80 -102.64 17.17 24.4 Favored 'General case' 0 C--N 1.301 -1.536 0 CA-C-N 114.926 -1.034 . . . . 0.0 108.447 -178.854 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 62.5 t60 . . . . . 0 C--N 1.283 -2.312 0 N-CA-C 106.939 -1.504 . . . . 0.0 106.939 179.76 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 25.8 ttt . . . . . 0 N--CA 1.456 -0.158 0 CA-C-O 119.505 -0.283 . . . . 0.0 111.636 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' ASN . . . . . 0.428 ' O ' ' HG2' ' A' ' 5' ' ' LYS . 93.2 m-20 -54.82 107.6 0.31 Allowed 'General case' 0 N--CA 1.48 1.073 0 N-CA-C 113.23 0.826 . . . . 0.0 113.23 -176.142 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 27.3 m -73.6 -15.84 17.04 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.69 0 C-N-CA 123.307 0.643 . . . . 0.0 112.59 -179.792 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 13.8 t -60.58 -26.75 67.19 Favored 'General case' 0 CA--C 1.559 1.325 0 CA-C-N 115.855 -0.611 . . . . 0.0 112.205 -176.64 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' LYS . . . . . 0.428 ' HG2' ' O ' ' A' ' 2' ' ' ASN . 22.7 pttp -64.57 -37.3 87.09 Favored 'General case' 0 N--CA 1.466 0.363 0 CA-C-O 120.619 0.247 . . . . 0.0 111.274 177.629 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.506 ' O ' HG13 ' A' ' 10' ' ' ILE . 51.5 tp -69.84 -43.07 72.72 Favored 'General case' 0 N--CA 1.446 -0.654 0 N-CA-C 109.046 -0.724 . . . . 0.0 109.046 -178.861 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 25.7 t-20 -56.83 -40.61 76.37 Favored 'General case' 0 C--O 1.238 0.463 0 CA-C-N 115.144 -0.935 . . . . 0.0 110.562 179.448 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 23.4 t70 -70.56 -42.54 70.98 Favored 'General case' 0 N--CA 1.47 0.542 0 CA-C-N 115.308 -0.86 . . . . 0.0 111.829 -179.557 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -65.28 -29.75 70.54 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.517 -179.567 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.506 HG13 ' O ' ' A' ' 6' ' ' LEU . 99.6 mt -63.35 -52.84 53.25 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 N-CA-C 109.099 -0.704 . . . . 0.0 109.099 173.906 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 11' ' ' GLU . . . . . 0.419 ' O ' ' HG3' ' A' ' 15' ' ' LYS . 45.8 mm-40 -59.56 -41.97 91.37 Favored 'General case' 0 CA--C 1.508 -0.67 0 CA-C-N 115.936 -0.575 . . . . 0.0 111.903 -178.593 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -62.15 -37.62 85.89 Favored 'General case' 0 C--N 1.311 -1.104 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.887 177.467 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.409 ' HE3' ' HA ' ' A' ' 13' ' ' LYS . 2.2 tpmt? -68.82 -44.1 74.22 Favored 'General case' 0 N--CA 1.463 0.201 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.22 -177.885 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.499 ' O ' HG13 ' A' ' 18' ' ' ILE . 8.4 ptmm? -70.03 -33.43 71.98 Favored 'General case' 0 C--N 1.318 -0.789 0 N-CA-C 112.436 0.532 . . . . 0.0 112.436 179.318 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.419 ' HG3' ' O ' ' A' ' 11' ' ' GLU . 55.2 mtpt -65.47 -40.69 93.45 Favored 'General case' 0 C--O 1.242 0.673 0 C-N-CA 120.648 -0.421 . . . . 0.0 110.325 175.602 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.423 ' O ' ' HG ' ' A' ' 20' ' ' LEU . 17.5 tp10 -60.95 -47.12 87.91 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 108.398 -0.964 . . . . 0.0 108.398 175.468 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.508 ' O ' HG23 ' A' ' 21' ' ' VAL . 47.6 tp -60.09 -42.08 93.85 Favored 'General case' 0 C--O 1.221 -0.403 0 CA-C-N 115.381 -0.827 . . . . 0.0 111.772 -179.31 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.499 HG13 ' O ' ' A' ' 14' ' ' LYS . 77.9 mt -53.77 -46.73 63.02 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.903 0 CA-C-O 121.249 0.547 . . . . 0.0 110.164 177.154 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 74.0 t80 -67.98 -39.06 83.38 Favored 'General case' 0 C--N 1.313 -1.017 0 CA-C-N 114.85 -1.068 . . . . 0.0 110.327 -179.311 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.423 ' HG ' ' O ' ' A' ' 16' ' ' GLU . 96.0 mt -65.71 -34.65 78.68 Favored 'General case' 0 C--N 1.314 -0.95 0 CA-C-N 115.937 -0.574 . . . . 0.0 112.0 179.141 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.508 HG23 ' O ' ' A' ' 17' ' ' LEU . 54.7 t -66.86 -33.14 61.47 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.802 0 CA-C-O 121.561 0.696 . . . . 0.0 109.27 175.575 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -68.84 -37.76 79.37 Favored 'General case' 0 C--N 1.3 -1.558 0 O-C-N 121.689 -0.632 . . . . 0.0 111.545 175.723 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 32.0 mmmt -82.05 -48.38 11.46 Favored 'General case' 0 C--N 1.321 -0.672 0 N-CA-C 112.773 0.657 . . . . 0.0 112.773 -177.187 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 59.8 m-85 -90.7 -47.29 7.74 Favored 'General case' 0 C--N 1.313 -1.004 0 CA-C-O 121.247 0.546 . . . . 0.0 110.405 -179.532 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' GLY . . . . . 0.489 ' HA2' ' O ' ' A' ' 21' ' ' VAL . . . 98.56 -123.63 7.94 Favored Glycine 0 C--N 1.293 -1.853 0 CA-C-N 115.736 -0.665 . . . . 0.0 111.735 -178.601 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 72.5 m-85 -119.31 -178.18 3.53 Favored 'General case' 0 C--N 1.292 -1.916 0 N-CA-C 108.241 -1.022 . . . . 0.0 108.241 -178.637 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 77.7 p 57.13 13.07 1.47 Allowed 'General case' 0 N--CA 1.476 0.851 0 C-N-CA 125.764 1.626 . . . . 0.0 114.12 -178.608 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 47.4 m80 -102.66 117.52 34.84 Favored 'General case' 0 CA--C 1.486 -1.484 0 O-C-N 122.223 -0.298 . . . . 0.0 110.736 -177.847 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 63.7 m80 -60.85 -26.33 67.3 Favored 'General case' 0 C--N 1.316 -0.884 0 CA-C-N 115.567 -0.742 . . . . 0.0 111.492 179.789 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 46.2 mtpt -60.97 -49.14 78.66 Favored 'General case' 0 C--O 1.216 -0.679 0 N-CA-C 109.561 -0.533 . . . . 0.0 109.561 174.655 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 59.6 t -66.37 -38.69 82.34 Favored 'Isoleucine or valine' 0 C--O 1.24 0.568 0 CA-C-N 115.97 -0.559 . . . . 0.0 109.821 -178.713 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 70.2 mt -60.3 -44.69 96.31 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.636 0 CA-C-N 115.745 -0.661 . . . . 0.0 110.582 177.591 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 11.3 p -70.27 -36.38 74.39 Favored 'General case' 0 N--CA 1.446 -0.63 0 N-CA-C 112.132 0.419 . . . . 0.0 112.132 178.737 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 25.6 m-85 -64.2 -37.01 85.94 Favored 'General case' 0 N--CA 1.471 0.599 0 CA-C-O 120.914 0.388 . . . . 0.0 110.113 176.295 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 58.8 m -63.45 -43.08 98.39 Favored 'General case' 0 N--CA 1.447 -0.592 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.347 176.911 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 52.0 mt-30 -64.24 -32.05 73.48 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.079 -0.51 . . . . 0.0 111.089 179.017 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 37' ' ' GLU . . . . . 0.47 ' O ' ' HG ' ' A' ' 41' ' ' LEU . 20.3 mm-40 -69.32 -50.03 50.33 Favored 'General case' 0 C--N 1.32 -0.701 0 N-CA-C 110.065 -0.346 . . . . 0.0 110.065 174.967 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -59.58 -48.19 82.61 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.914 -179.074 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 34.5 t70 -60.39 -40.97 92.8 Favored 'General case' 0 C--N 1.318 -0.802 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.841 -178.81 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 40' ' ' ARG . . . . . 0.474 ' O ' ' HG ' ' A' ' 44' ' ' LEU . 30.8 tpt180 -69.32 -38.36 78.19 Favored 'General case' 0 CA--C 1.537 0.444 0 CA-C-N 116.41 -0.359 . . . . 0.0 111.09 178.021 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.47 ' HG ' ' O ' ' A' ' 37' ' ' GLU . 94.8 mt -62.12 -43.44 98.82 Favored 'General case' 0 N--CA 1.468 0.474 0 CA-C-O 120.742 0.306 . . . . 0.0 110.26 177.426 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.4 ' HA ' HD13 ' A' ' 10' ' ' ILE . 56.6 tp -63.64 -41.17 98.27 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 121.866 0.841 . . . . 0.0 109.509 176.582 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 20.3 t-20 -65.73 -27.03 68.02 Favored 'General case' 0 C--N 1.308 -1.215 0 CA-C-N 114.512 -1.222 . . . . 0.0 111.317 -178.613 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.474 ' HG ' ' O ' ' A' ' 40' ' ' ARG . 84.4 mt -59.44 -37.01 77.01 Favored 'General case' 0 N--CA 1.466 0.346 0 C-N-CA 122.594 0.358 . . . . 0.0 111.283 177.672 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 90.6 mt -63.65 -50.91 67.42 Favored 'General case' 0 CA--C 1.513 -0.475 0 N-CA-C 108.999 -0.741 . . . . 0.0 108.999 177.947 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 67.5 mt -58.69 -49.63 81.96 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.673 0 CA-C-N 114.729 -1.123 . . . . 0.0 110.11 -178.976 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 43.2 tt0 -56.97 -48.73 77.69 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.704 -0.68 . . . . 0.0 110.709 179.192 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 2.2 tm? -65.54 -43.7 89.16 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.362 -176.685 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 30.1 mtpp -69.95 -27.9 65.13 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 120.68 0.276 . . . . 0.0 111.706 -179.387 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 36.9 m -73.46 -46.57 47.54 Favored 'General case' 0 C--O 1.248 1.019 0 N-CA-C 109.223 -0.658 . . . . 0.0 109.223 176.109 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 64.5 mttm -64.34 -60.33 3.3 Favored 'General case' 0 N--CA 1.439 -1.019 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.662 179.451 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 18.2 pttm 39.1 32.57 0.07 Allowed 'General case' 0 N--CA 1.505 2.301 0 C-N-CA 126.087 1.755 . . . . 0.0 113.044 179.555 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -95.31 5.39 51.82 Favored 'General case' 0 N--CA 1.417 -2.091 0 CA-C-N 114.628 -1.169 . . . . 0.0 110.977 -174.506 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 93.4 mtt180 -86.07 131.88 34.17 Favored 'General case' 0 N--CA 1.419 -2.021 0 N-CA-C 102.757 -3.053 . . . . 0.0 102.757 169.654 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 91.2 m-85 -80.76 11.71 3.69 Favored 'General case' 0 C--N 1.292 -1.925 0 N-CA-C 114.241 1.2 . . . . 0.0 114.241 -168.996 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 11.4 p -61.85 -37.54 84.87 Favored 'General case' 0 N--CA 1.424 -1.774 0 CA-C-N 114.777 -1.101 . . . . 0.0 109.708 173.941 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -69.58 -16.25 63.37 Favored 'General case' 0 C--O 1.221 -0.41 0 CA-C-N 115.677 -0.692 . . . . 0.0 111.547 179.479 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 6.9 mp -95.92 -47.14 6.25 Favored 'General case' 0 C--N 1.314 -0.954 0 C-N-CA 120.715 -0.394 . . . . 0.0 110.438 179.438 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -64.82 -34.89 79.43 Favored 'General case' 0 N--CA 1.47 0.525 0 CA-C-O 122.276 1.036 . . . . 0.0 110.359 -179.52 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 70.2 m80 -120.01 44.8 2.33 Favored 'General case' 0 C--N 1.284 -2.252 0 CA-C-N 114.365 -1.289 . . . . 0.0 108.754 -178.256 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 21.5 p-80 -53.29 129.51 31.91 Favored 'General case' 0 C--O 1.242 0.691 0 CA-C-N 115.115 -0.948 . . . . 0.0 111.442 179.522 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 9.0 t60 -89.72 73.36 7.62 Favored 'General case' 0 N--CA 1.427 -1.617 0 CA-C-O 121.805 0.812 . . . . 0.0 109.505 -173.661 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 16.5 t60 -128.8 73.02 1.48 Allowed 'General case' 0 C--N 1.3 -1.587 0 N-CA-C 106.892 -1.521 . . . . 0.0 106.892 179.813 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 11.9 t60 . . . . . 0 N--CA 1.429 -1.519 0 CA-C-N 114.719 -1.128 . . . . 0.0 108.424 -175.431 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 85.6 mtp . . . . . 0 CA--C 1.502 -0.897 0 N-CA-C 109.32 -0.622 . . . . 0.0 109.32 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' ASN . . . . . 0.556 ' HB3' HG22 ' A' ' 4' ' ' THR . 3.8 m-20 57.41 112.28 0.01 OUTLIER 'General case' 0 N--CA 1.484 1.246 0 N-CA-C 115.348 1.61 . . . . 0.0 115.348 170.72 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 29.5 m -64.56 -14.83 16.62 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.694 0 N-CA-C 112.973 0.731 . . . . 0.0 112.973 -178.964 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' THR . . . . . 0.556 HG22 ' HB3' ' A' ' 2' ' ' ASN . 11.9 t -59.39 -28.91 67.31 Favored 'General case' 0 C--N 1.313 -1.012 0 O-C-N 122.218 -0.301 . . . . 0.0 111.613 178.685 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 5' ' ' LYS . . . . . 0.406 ' HG2' ' O ' ' A' ' 2' ' ' ASN . 15.3 ptmm? -67.81 -28.65 67.76 Favored 'General case' 0 N--CA 1.47 0.558 0 CA-C-O 121.478 0.656 . . . . 0.0 110.508 179.65 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.436 ' O ' HG13 ' A' ' 10' ' ' ILE . 30.2 tp -75.55 -31.37 60.03 Favored 'General case' 0 N--CA 1.441 -0.915 0 N-CA-C 108.336 -0.987 . . . . 0.0 108.336 178.389 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 32.6 m-80 -68.54 -33.08 73.48 Favored 'General case' 0 CA--C 1.508 -0.668 0 CA-C-N 115.486 -0.779 . . . . 0.0 110.329 177.062 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 16.5 t70 -58.15 -43.25 87.27 Favored 'General case' 0 C--O 1.239 0.537 0 N-CA-C 108.707 -0.849 . . . . 0.0 108.707 174.673 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' ARG . . . . . 0.438 ' O ' ' HG2' ' A' ' 13' ' ' LYS . 96.9 mtt180 -65.46 -42.96 91.76 Favored 'General case' 0 C--O 1.205 -1.262 0 CA-C-N 115.29 -0.868 . . . . 0.0 111.27 175.115 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.436 HG13 ' O ' ' A' ' 6' ' ' LEU . 68.3 mt -55.31 -53.39 35.89 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.594 0 O-C-N 123.18 0.3 . . . . 0.0 110.469 179.85 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 65.1 mm-40 -56.32 -43.85 79.38 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 123.603 0.565 . . . . 0.0 110.954 177.166 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -64.26 -38.47 91.16 Favored 'General case' 0 C--N 1.315 -0.906 0 CA-C-N 115.778 -0.646 . . . . 0.0 111.544 -179.56 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.448 ' HG3' HD11 ' A' ' 41' ' ' LEU . 3.6 mmmp? -74.98 -30.7 61.26 Favored 'General case' 0 C--O 1.215 -0.723 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.537 -177.996 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.443 ' O ' HG13 ' A' ' 18' ' ' ILE . 26.9 mtpp -66.55 -45.85 78.03 Favored 'General case' 0 C--N 1.318 -0.799 0 CA-C-N 116.171 -0.468 . . . . 0.0 109.976 174.474 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 60.7 mtpt -64.19 -37.2 86.6 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 121.343 0.592 . . . . 0.0 110.016 177.338 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 36.0 tt0 -62.86 -46.91 85.67 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 115.404 -0.817 . . . . 0.0 109.354 175.471 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.455 ' O ' HG23 ' A' ' 21' ' ' VAL . 1.2 tt -59.15 -45.91 89.73 Favored 'General case' 0 C--N 1.324 -0.52 0 C-N-CA 123.896 0.878 . . . . 0.0 109.526 -178.853 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.443 HG13 ' O ' ' A' ' 14' ' ' LYS . 82.3 mt -57.13 -47.55 83.68 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.63 0 CA-C-O 120.897 0.38 . . . . 0.0 110.052 177.625 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 73.1 t80 -59.78 -43.66 94.26 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.75 -0.659 . . . . 0.0 110.373 177.18 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 95.6 mt -61.86 -40.44 95.35 Favored 'General case' 0 C--N 1.316 -0.886 0 CA-C-N 115.862 -0.608 . . . . 0.0 111.675 178.632 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.455 HG23 ' O ' ' A' ' 17' ' ' LEU . 77.6 t -63.14 -40.55 89.48 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.564 0 N-CA-C 109.734 -0.469 . . . . 0.0 109.734 176.595 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 57.0 mm-40 -61.2 -35.27 76.71 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.035 -0.529 . . . . 0.0 111.537 176.997 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 13.6 mmmm -81.79 -48.72 11.25 Favored 'General case' 0 C--N 1.314 -0.945 0 CA-C-O 120.868 0.366 . . . . 0.0 111.132 -178.484 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' TYR . . . . . 0.463 ' HB3' ' NE2' ' A' ' 28' ' ' HIS . 68.5 m-85 -77.39 -43.39 32.85 Favored 'General case' 0 C--N 1.306 -1.308 0 N-CA-C 113.33 0.863 . . . . 0.0 113.33 -174.505 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 128.94 -97.04 0.41 Allowed Glycine 0 N--CA 1.433 -1.52 0 C-N-CA 120.294 -0.955 . . . . 0.0 113.168 177.716 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 78.3 m-85 -117.99 -173.87 2.53 Favored 'General case' 0 C--N 1.3 -1.585 0 O-C-N 122.526 -0.396 . . . . 0.0 111.581 -177.055 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 1.8 m -79.7 68.78 5.86 Favored 'General case' 0 N--CA 1.432 -1.338 0 CA-C-O 121.695 0.76 . . . . 0.0 112.64 -170.582 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 28' ' ' HIS . . . . . 0.559 ' O ' HG12 ' A' ' 32' ' ' ILE . 2.0 p-80 -92.03 -176.86 4.53 Favored 'General case' 0 C--N 1.293 -1.869 0 CA-C-N 115.14 -0.936 . . . . 0.0 109.542 173.754 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 70.9 t60 -52.72 -40.36 62.94 Favored 'General case' 0 C--O 1.248 0.979 0 N-CA-C 113.583 0.957 . . . . 0.0 113.583 -174.066 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 49.6 mmtm -55.53 -52.76 62.64 Favored 'General case' 0 N--CA 1.47 0.527 0 N-CA-C 110.099 -0.334 . . . . 0.0 110.099 177.305 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 72.0 t -64.14 -36.69 77.77 Favored 'Isoleucine or valine' 0 C--O 1.241 0.616 0 CA-C-N 115.775 -0.648 . . . . 0.0 111.249 -178.173 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.559 HG12 ' O ' ' A' ' 28' ' ' HIS . 42.4 mm -58.79 -50.86 77.86 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.856 0 N-CA-C 108.744 -0.836 . . . . 0.0 108.744 177.009 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 35.6 m -58.22 -41.01 83.15 Favored 'General case' 0 C--N 1.308 -1.223 0 CA-C-N 114.472 -1.24 . . . . 0.0 112.029 179.361 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 19.6 m-85 -68.94 -32.28 71.78 Favored 'General case' 0 C--O 1.239 0.546 0 CA-C-O 121.198 0.523 . . . . 0.0 110.238 179.79 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 35' ' ' SER . . . . . 0.445 ' HA ' HD11 ' A' ' 17' ' ' LEU . 27.8 m -71.92 -41.7 67.58 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-N 115.659 -0.7 . . . . 0.0 110.34 179.395 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 80.4 mt-30 -66.42 -31.46 72.23 Favored 'General case' 0 N--CA 1.463 0.187 0 CA-C-N 116.472 -0.331 . . . . 0.0 111.174 177.927 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 37' ' ' GLU . . . . . 0.478 ' O ' ' HG ' ' A' ' 41' ' ' LEU . 8.0 tp10 -60.42 -38.97 85.73 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 109.056 -0.72 . . . . 0.0 109.056 175.788 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.419 HD21 ' HG3' ' A' ' 14' ' ' LYS . 3.0 tm? -69.99 -43.57 71.17 Favored 'General case' 0 N--CA 1.438 -1.041 0 CA-C-N 115.455 -0.793 . . . . 0.0 109.875 -177.844 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 36.2 m-20 -62.75 -34.96 78.28 Favored 'General case' 0 N--CA 1.472 0.653 0 CA-C-O 120.89 0.376 . . . . 0.0 110.5 177.491 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 40.2 ttm180 -61.45 -40.3 93.98 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.516 -0.765 . . . . 0.0 110.334 176.834 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.478 ' HG ' ' O ' ' A' ' 37' ' ' GLU . 89.4 mt -65.63 -35.16 79.98 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-O 121.037 0.446 . . . . 0.0 110.377 178.702 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 67.0 tp -65.72 -41.52 92.16 Favored 'General case' 0 C--N 1.32 -0.707 0 N-CA-C 108.835 -0.802 . . . . 0.0 108.835 175.571 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 14.9 m120 -61.19 -30.5 70.46 Favored 'General case' 0 N--CA 1.471 0.615 0 CA-C-N 115.536 -0.757 . . . . 0.0 110.543 177.112 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.437 ' O ' ' HB3' ' A' ' 47' ' ' GLU . 82.3 mt -68.25 -31.36 70.79 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.536 178.042 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 95.3 mt -71.18 -35.88 71.75 Favored 'General case' 0 N--CA 1.472 0.649 0 CA-C-O 121.959 0.885 . . . . 0.0 109.201 174.773 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 76.5 mt -69.68 -26.16 30.13 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.867 0 CA-C-N 114.772 -1.104 . . . . 0.0 110.413 179.077 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 47' ' ' GLU . . . . . 0.437 ' HB3' ' O ' ' A' ' 44' ' ' LEU . 9.5 tp10 -54.88 -36.06 64.74 Favored 'General case' 0 CA--C 1.545 0.787 0 C-N-CA 123.868 0.867 . . . . 0.0 110.866 178.085 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -77.23 -47.56 19.87 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-O 121.394 0.616 . . . . 0.0 109.609 177.145 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 64.5 mttp -65.68 -26.99 68.03 Favored 'General case' 0 C--N 1.317 -0.834 0 N-CA-C 113.816 1.043 . . . . 0.0 113.816 -175.138 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 15.1 t -70.2 -27.28 64.37 Favored 'General case' 0 CA--C 1.548 0.872 0 CA-C-O 120.958 0.409 . . . . 0.0 109.925 177.335 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 91.8 mttt -88.79 -26.91 21.45 Favored 'General case' 0 N--CA 1.438 -1.053 0 N-CA-C 108.458 -0.941 . . . . 0.0 108.458 -179.932 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 52' ' ' LYS . . . . . 0.424 ' HB2' ' CD1' ' A' ' 57' ' ' LEU 0.264 64.3 pttt 64.51 -39.64 0.24 Allowed 'General case' 0 N--CA 1.491 1.616 0 C-N-CA 127.945 2.498 . . . . 0.0 114.785 176.741 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 53' ' ' LYS . . . . . 0.578 ' HG3' ' HG3' ' A' ' 54' ' ' ARG . 61.0 pttt -69.03 -29.27 67.39 Favored 'General case' 0 C--N 1.284 -2.24 0 C-N-CA 123.83 0.852 . . . . 0.0 111.751 179.548 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 54' ' ' ARG . . . . . 0.578 ' HG3' ' HG3' ' A' ' 53' ' ' LYS . 51.0 mtp85 -94.82 98.57 10.84 Favored 'General case' 0 CA--C 1.493 -1.213 0 CA-C-N 116.469 -0.332 . . . . 0.0 110.828 -174.445 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 47.3 t80 43.48 56.18 4.51 Favored 'General case' 0 N--CA 1.453 -0.275 0 O-C-N 125.188 1.555 . . . . 0.0 112.312 178.319 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 28.4 m -143.92 -40.06 0.29 Allowed 'General case' 0 C--N 1.306 -1.319 0 CA-C-N 114.742 -1.117 . . . . 0.0 109.849 176.023 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.424 ' CD1' ' HB2' ' A' ' 52' ' ' LYS . 89.9 mt -109.25 20.38 18.36 Favored 'General case' 0 N--CA 1.442 -0.827 0 CA-C-N 115.973 -0.558 . . . . 0.0 111.296 175.81 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 82.2 mt -90.83 -33.66 15.59 Favored 'General case' 0 C--N 1.31 -1.137 0 N-CA-C 105.546 -2.02 . . . . 0.0 105.546 174.713 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -115.12 -162.58 0.83 Allowed 'General case' 0 N--CA 1.413 -2.288 0 N-CA-C 105.715 -1.957 . . . . 0.0 105.715 171.964 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 63.8 m80 59.66 -171.33 0.13 Allowed 'General case' 0 C--N 1.317 -0.829 0 C-N-CA 123.814 0.846 . . . . 0.0 111.668 -178.367 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 9.1 t60 60.19 72.36 0.53 Allowed 'General case' 0 C--O 1.239 0.535 0 C-N-CA 123.511 0.724 . . . . 0.0 109.993 -178.942 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 82.0 m-70 66.75 9.82 7.02 Favored 'General case' 0 N--CA 1.474 0.769 0 C-N-CA 124.632 1.173 . . . . 0.0 112.782 178.64 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 31.8 t-80 -154.62 96.92 1.94 Allowed 'General case' 0 C--N 1.309 -1.164 0 CA-C-O 121.456 0.646 . . . . 0.0 111.113 -177.582 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 51.7 t-80 . . . . . 0 C--N 1.286 -2.157 0 N-CA-C 106.811 -1.551 . . . . 0.0 106.811 177.272 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 88.3 mtp . . . . . 0 CA--C 1.514 -0.433 0 N-CA-C 111.026 0.01 . . . . 0.0 111.026 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 16.7 m120 -72.23 93.64 1.49 Allowed 'General case' 0 CA--C 1.502 -0.868 0 CA-C-O 120.966 0.413 . . . . 0.0 110.884 -177.353 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 31.1 m -59.28 -33.78 51.93 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.016 0 CA-C-N 115.498 -0.773 . . . . 0.0 112.935 -177.491 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 13.3 t -67.78 -40.0 84.03 Favored 'General case' 0 N--CA 1.438 -1.056 0 C-N-CA 120.328 -0.549 . . . . 0.0 110.462 -179.648 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' LYS . . . . . 0.405 ' HD2' ' HA ' ' A' ' 5' ' ' LYS . 28.9 mmmt -78.16 -27.64 48.12 Favored 'General case' 0 CA--C 1.506 -0.726 0 O-C-N 122.237 -0.289 . . . . 0.0 111.515 178.03 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.467 ' O ' HG13 ' A' ' 10' ' ' ILE . 29.4 tp -64.74 -49.34 71.17 Favored 'General case' 0 C--N 1.315 -0.909 0 N-CA-C 109.358 -0.608 . . . . 0.0 109.358 176.475 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 2.7 t-20 -61.55 -39.94 92.93 Favored 'General case' 0 C--O 1.238 0.488 0 CA-C-O 121.36 0.6 . . . . 0.0 109.825 177.552 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 25.8 t70 -61.08 -45.95 92.63 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-N 114.983 -1.008 . . . . 0.0 111.7 177.609 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' ARG . . . . . 0.454 ' O ' ' HG2' ' A' ' 13' ' ' LYS . 7.7 ptm180 -70.04 -26.77 64.19 Favored 'General case' 0 C--O 1.224 -0.284 0 C-N-CA 120.729 -0.388 . . . . 0.0 110.751 -179.212 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.467 HG13 ' O ' ' A' ' 6' ' ' LEU . 72.2 mt -64.05 -42.04 94.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 CA-C-O 120.889 0.376 . . . . 0.0 110.098 175.432 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 35.8 tt0 -62.8 -38.35 90.32 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-O 121.629 0.728 . . . . 0.0 109.224 178.139 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -66.87 -27.55 67.61 Favored 'General case' 0 C--N 1.317 -0.827 0 CA-C-N 115.038 -0.983 . . . . 0.0 111.136 178.651 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.454 ' HG2' ' O ' ' A' ' 9' ' ' ARG . 32.1 mmmt -72.5 -38.49 68.11 Favored 'General case' 0 CA--C 1.501 -0.916 0 N-CA-C 109.088 -0.708 . . . . 0.0 109.088 179.137 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.589 ' O ' HG13 ' A' ' 18' ' ' ILE . 63.4 mttm -59.7 -42.99 94.25 Favored 'General case' 0 C--N 1.312 -1.062 0 CA-C-N 115.397 -0.82 . . . . 0.0 110.655 177.754 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 14.3 mmmm -67.31 -27.67 67.35 Favored 'General case' 0 C--O 1.246 0.917 0 CA-C-O 121.435 0.636 . . . . 0.0 111.019 -179.107 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.53 ' O ' ' HG ' ' A' ' 20' ' ' LEU . 41.1 tt0 -71.9 -48.96 41.89 Favored 'General case' 0 C--N 1.31 -1.14 0 N-CA-C 107.455 -1.313 . . . . 0.0 107.455 179.671 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.414 ' O ' HG23 ' A' ' 21' ' ' VAL . 3.8 mm? -59.99 -46.64 88.8 Favored 'General case' 0 N--CA 1.443 -0.778 0 CA-C-N 114.494 -1.23 . . . . 0.0 112.421 177.352 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.589 HG13 ' O ' ' A' ' 14' ' ' LYS . 78.8 mt -53.13 -44.78 52.68 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.719 0 CA-C-O 120.778 0.323 . . . . 0.0 110.76 179.578 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 63.0 t80 -63.22 -46.03 88.88 Favored 'General case' 0 C--O 1.239 0.528 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.932 177.302 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.53 ' HG ' ' O ' ' A' ' 16' ' ' GLU . 87.0 mt -66.97 -39.04 87.13 Favored 'General case' 0 C--N 1.311 -1.084 0 CA-C-N 115.892 -0.594 . . . . 0.0 112.109 -176.206 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.414 HG23 ' O ' ' A' ' 17' ' ' LEU . 88.2 t -64.03 -36.1 75.74 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.671 0 CA-C-O 121.084 0.469 . . . . 0.0 110.643 178.78 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 53.7 mm-40 -68.85 -41.15 78.85 Favored 'General case' 0 C--N 1.314 -0.96 0 CA-C-O 121.107 0.48 . . . . 0.0 111.399 176.939 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 32.5 mmmt -82.53 -47.88 11.66 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 113.699 1.0 . . . . 0.0 113.699 -175.409 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 75.4 m-85 -104.02 -40.37 6.22 Favored 'General case' 0 C--N 1.308 -1.233 0 CA-C-O 121.418 0.628 . . . . 0.0 110.563 -175.36 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 116.02 -160.55 13.29 Favored Glycine 0 N--CA 1.428 -1.877 0 N-CA-C 110.396 -1.081 . . . . 0.0 110.396 -176.236 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 47.2 p90 -104.34 -5.47 21.74 Favored 'General case' 0 C--N 1.305 -1.329 0 CA-C-O 121.432 0.634 . . . . 0.0 110.077 179.791 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 27.6 m -113.18 80.96 1.42 Allowed 'General case' 0 N--CA 1.417 -2.076 0 CA-C-O 121.483 0.658 . . . . 0.0 109.302 179.721 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 28' ' ' HIS . . . . . 0.419 ' O ' HG22 ' A' ' 31' ' ' VAL . 38.2 t-80 -157.65 141.51 15.84 Favored 'General case' 0 C--N 1.307 -1.257 0 N-CA-C 105.519 -2.03 . . . . 0.0 105.519 175.218 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 11.4 t-80 -63.16 -33.6 75.81 Favored 'General case' 0 C--N 1.326 -0.431 0 C-N-CA 119.328 -0.949 . . . . 0.0 112.115 -174.727 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 44.0 mmtm -50.72 -58.69 5.28 Favored 'General case' 0 N--CA 1.468 0.427 0 O-C-N 123.244 0.34 . . . . 0.0 110.979 174.027 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.439 HG12 ' HB3' ' A' ' 20' ' ' LEU . 22.4 m -62.16 -36.39 74.09 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.261 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.927 -175.684 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 72.6 mt -67.76 -38.29 80.0 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.728 0 CA-C-O 121.19 0.519 . . . . 0.0 109.998 178.875 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 49.2 m -65.92 -45.46 81.84 Favored 'General case' 0 C--N 1.315 -0.917 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.308 178.716 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 61.0 m-85 -68.55 -33.96 75.01 Favored 'General case' 0 CA--C 1.534 0.359 0 CA-C-O 120.728 0.299 . . . . 0.0 110.843 179.059 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 60.1 m -64.27 -36.4 83.97 Favored 'General case' 0 CA--C 1.534 0.331 0 CA-C-O 120.662 0.268 . . . . 0.0 110.561 177.231 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 51.8 mt-30 -63.52 -34.56 78.05 Favored 'General case' 0 C--O 1.235 0.323 0 CA-C-N 116.473 -0.331 . . . . 0.0 111.04 176.217 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -69.5 -44.54 70.86 Favored 'General case' 0 C--O 1.213 -0.857 0 N-CA-C 109.507 -0.553 . . . . 0.0 109.507 176.926 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -56.45 -47.95 78.06 Favored 'General case' 0 N--CA 1.467 0.412 0 N-CA-C 108.78 -0.822 . . . . 0.0 108.78 178.611 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 16.1 t70 -57.51 -49.3 76.77 Favored 'General case' 0 C--N 1.318 -0.775 0 C-N-CA 124.402 1.081 . . . . 0.0 110.924 177.927 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 40' ' ' ARG . . . . . 0.441 ' O ' ' HG ' ' A' ' 44' ' ' LEU . 38.4 ttm180 -64.58 -46.51 82.4 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 115.15 -0.932 . . . . 0.0 110.804 -177.097 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 10.5 mp -66.99 -36.06 81.34 Favored 'General case' 0 C--N 1.316 -0.851 0 CA-C-N 116.161 -0.472 . . . . 0.0 112.123 -178.973 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 40.5 tp -61.52 -43.87 98.08 Favored 'General case' 0 C--O 1.244 0.793 0 CA-C-O 121.555 0.693 . . . . 0.0 109.277 175.789 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 61.6 t30 -62.77 -36.1 81.97 Favored 'General case' 0 C--N 1.317 -0.805 0 CA-C-N 114.828 -1.078 . . . . 0.0 110.448 179.706 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.441 ' HG ' ' O ' ' A' ' 40' ' ' ARG . 86.0 mt -58.78 -42.65 89.5 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.02 -0.536 . . . . 0.0 111.155 177.214 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 67.8 mt -59.85 -42.9 94.65 Favored 'General case' 0 CA--C 1.51 -0.566 0 CA-C-O 120.788 0.328 . . . . 0.0 110.63 177.494 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 71.0 mt -59.4 -50.73 78.8 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.5 0 CA-C-N 115.555 -0.748 . . . . 0.0 109.983 179.911 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 50.0 mt-10 -62.9 -50.51 70.6 Favored 'General case' 0 C--N 1.321 -0.646 0 N-CA-C 112.663 0.616 . . . . 0.0 112.663 -179.696 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -62.94 -40.8 98.75 Favored 'General case' 0 C--N 1.321 -0.653 0 N-CA-C 112.801 0.667 . . . . 0.0 112.801 -177.977 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 60.0 tttp -68.04 -27.91 66.93 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 120.861 0.362 . . . . 0.0 110.491 -178.756 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 91.3 m -65.76 -22.49 66.59 Favored 'General case' 0 CA--C 1.549 0.928 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.805 179.42 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 67.2 mttm -65.09 -35.7 81.98 Favored 'General case' 0 N--CA 1.45 -0.451 0 N-CA-C 109.672 -0.492 . . . . 0.0 109.672 177.237 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 52' ' ' LYS . . . . . 0.532 ' O ' ' HG ' ' A' ' 57' ' ' LEU . 22.3 pttp 38.74 42.47 0.61 Allowed 'General case' 0 N--CA 1.491 1.623 0 C-N-CA 125.932 1.693 . . . . 0.0 113.426 178.566 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 53' ' ' LYS . . . . . 0.549 ' HG3' ' H ' ' A' ' 54' ' ' ARG . 19.3 ptmt -123.26 -79.89 0.62 Allowed 'General case' 0 C--N 1.286 -2.185 0 CA-C-N 115.115 -0.948 . . . . 0.0 111.234 177.816 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 54' ' ' ARG . . . . . 0.549 ' H ' ' HG3' ' A' ' 53' ' ' LYS . 69.3 mtp180 47.43 -146.26 0.24 Allowed 'General case' 0 C--N 1.353 0.741 0 N-CA-C 109.1 -0.704 . . . . 0.0 109.1 -179.301 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 83.3 m-85 -112.7 -5.45 13.94 Favored 'General case' 0 C--N 1.304 -1.383 0 C-N-CA 119.704 -0.798 . . . . 0.0 109.144 171.841 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 4.6 p -76.03 -30.79 58.57 Favored 'General case' 0 N--CA 1.437 -1.123 0 CA-C-N 115.386 -0.825 . . . . 0.0 111.824 -177.606 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.532 ' HG ' ' O ' ' A' ' 52' ' ' LYS . 4.0 mm? -83.87 -24.19 30.96 Favored 'General case' 0 C--N 1.324 -0.534 0 C-N-CA 120.728 -0.389 . . . . 0.0 110.01 176.604 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 85.1 mt -80.33 -52.92 7.13 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-O 121.611 0.72 . . . . 0.0 109.126 179.257 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 37.8 mt-10 -97.68 90.81 5.13 Favored 'General case' 0 N--CA 1.427 -1.625 0 N-CA-C 107.695 -1.224 . . . . 0.0 107.695 177.884 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 7.5 p80 -72.91 131.45 42.24 Favored 'General case' 0 C--N 1.301 -1.522 0 CA-C-N 115.791 -0.64 . . . . 0.0 111.426 -179.06 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 61.7 m-70 -60.52 -57.08 14.25 Favored 'General case' 0 C--N 1.318 -0.801 0 CA-C-N 114.681 -1.145 . . . . 0.0 110.115 -175.735 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 26.6 p-80 -86.85 111.99 21.3 Favored 'General case' 0 N--CA 1.432 -1.327 0 CA-C-O 121.682 0.753 . . . . 0.0 109.375 176.141 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 30.0 p-80 -130.74 116.63 18.28 Favored 'General case' 0 C--N 1.295 -1.767 0 CA-C-N 115.336 -0.847 . . . . 0.0 111.106 -178.654 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 37.7 t-80 . . . . . 0 C--N 1.289 -2.05 0 N-CA-C 107.854 -1.165 . . . . 0.0 107.854 177.569 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 11.0 tmm? . . . . . 0 CA--C 1.516 -0.333 0 N-CA-C 108.739 -0.837 . . . . 0.0 108.739 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 17.6 p-10 -147.96 68.16 1.11 Allowed 'General case' 0 C--N 1.312 -1.03 0 CA-C-O 122.003 0.906 . . . . 0.0 110.797 175.828 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 30.6 m -66.68 -21.79 28.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 CA-C-N 115.087 -0.96 . . . . 0.0 110.637 179.686 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 13.5 t -69.25 -39.36 78.51 Favored 'General case' 0 N--CA 1.432 -1.337 0 N-CA-C 109.39 -0.596 . . . . 0.0 109.39 179.077 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 34.4 mmtp -79.38 -29.71 42.21 Favored 'General case' 0 N--CA 1.441 -0.924 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.578 -179.124 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.451 HD23 HD23 ' A' ' 45' ' ' LEU . 24.0 tp -69.54 -40.8 76.64 Favored 'General case' 0 N--CA 1.44 -0.952 0 N-CA-C 108.619 -0.882 . . . . 0.0 108.619 176.613 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 2.7 t-20 -63.13 -39.48 94.8 Favored 'General case' 0 N--CA 1.464 0.272 0 CA-C-N 115.791 -0.64 . . . . 0.0 109.313 175.747 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 25.5 t70 -59.67 -37.48 78.86 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.406 -0.816 . . . . 0.0 111.434 176.04 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 80.2 mtp180 -67.16 -43.21 82.83 Favored 'General case' 0 N--CA 1.467 0.386 0 CA-C-O 121.009 0.433 . . . . 0.0 110.142 176.743 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 80.8 mt -60.12 -44.29 94.8 Favored 'Isoleucine or valine' 0 C--O 1.239 0.547 0 CA-C-N 115.635 -0.711 . . . . 0.0 109.287 177.449 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' GLU . . . . . 0.493 ' HA ' ' HG2' ' A' ' 14' ' ' LYS . 41.0 tt0 -59.2 -45.57 90.72 Favored 'General case' 0 N--CA 1.435 -1.193 0 CA-C-N 115.2 -0.909 . . . . 0.0 110.623 179.944 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -56.74 -36.41 69.73 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.643 -179.859 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 5.3 mptp? -74.36 -43.21 57.5 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 120.934 0.397 . . . . 0.0 110.778 178.265 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.509 ' O ' HG13 ' A' ' 18' ' ' ILE . 16.8 ptmt -73.3 -28.88 62.34 Favored 'General case' 0 C--N 1.31 -1.116 0 N-CA-C 112.056 0.391 . . . . 0.0 112.056 -176.086 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.454 ' HG2' ' O ' ' A' ' 11' ' ' GLU . 14.1 mmmm -69.25 -34.93 75.55 Favored 'General case' 0 C--O 1.256 1.419 0 CA-C-O 121.374 0.607 . . . . 0.0 109.45 175.194 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.414 ' O ' ' HG ' ' A' ' 20' ' ' LEU . 9.4 tp10 -71.76 -39.28 70.09 Favored 'General case' 0 CA--C 1.505 -0.764 0 N-CA-C 106.665 -1.606 . . . . 0.0 106.665 -178.912 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.458 ' O ' HG23 ' A' ' 21' ' ' VAL . 16.1 mt -54.72 -43.02 72.23 Favored 'General case' 0 C--O 1.205 -1.244 0 CA-C-N 114.694 -1.139 . . . . 0.0 112.191 174.437 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.509 HG13 ' O ' ' A' ' 14' ' ' LYS . 75.0 mt -56.76 -40.23 69.13 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.649 0 N-CA-C 109.762 -0.458 . . . . 0.0 109.762 177.983 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 54.9 t80 -69.16 -47.05 66.03 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.837 -0.62 . . . . 0.0 110.433 176.267 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.414 ' HG ' ' O ' ' A' ' 16' ' ' GLU . 74.6 mt -61.86 -38.29 87.7 Favored 'General case' 0 C--N 1.314 -0.937 0 C-N-CA 123.292 0.637 . . . . 0.0 112.005 -177.996 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.458 HG23 ' O ' ' A' ' 17' ' ' LEU . 94.8 t -64.39 -36.85 78.42 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.76 0 CA-C-O 121.389 0.614 . . . . 0.0 110.313 175.766 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.46 ' HG2' ' O ' ' A' ' 18' ' ' ILE . 71.5 mm-40 -68.57 -39.59 80.93 Favored 'General case' 0 C--N 1.315 -0.911 0 CA-C-O 121.53 0.681 . . . . 0.0 110.503 176.319 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 45.7 tttp -77.32 -45.86 24.81 Favored 'General case' 0 N--CA 1.423 -1.794 0 CA-C-N 115.317 -0.856 . . . . 0.0 112.825 -174.593 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 73.9 m-85 -106.48 -17.53 14.24 Favored 'General case' 0 C--N 1.315 -0.926 0 N-CA-C 113.154 0.798 . . . . 0.0 113.154 -174.492 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 106.65 178.12 23.08 Favored Glycine 0 C--N 1.3 -1.446 0 C-N-CA 120.296 -0.954 . . . . 0.0 112.283 179.327 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 65.6 m-85 -89.58 133.41 34.62 Favored 'General case' 0 C--N 1.301 -1.509 0 N-CA-C 108.121 -1.066 . . . . 0.0 108.121 179.185 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 25.2 m 65.65 77.82 0.29 Allowed 'General case' 0 C--N 1.32 -0.715 0 CA-C-O 122.522 1.154 . . . . 0.0 110.345 -178.82 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 3.8 t60 -139.25 136.17 34.67 Favored 'General case' 0 C--N 1.297 -1.704 0 N-CA-C 105.108 -2.182 . . . . 0.0 105.108 -178.94 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 86.1 m-70 -61.26 -27.87 68.77 Favored 'General case' 0 N--CA 1.48 1.062 0 N-CA-C 113.802 1.038 . . . . 0.0 113.802 -173.78 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 75.6 mmtt -57.87 -53.87 53.34 Favored 'General case' 0 N--CA 1.465 0.31 0 N-CA-C 108.448 -0.945 . . . . 0.0 108.448 173.291 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.417 HG13 HD22 ' A' ' 17' ' ' LEU . 61.3 t -63.33 -43.31 98.55 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.605 0 CA-C-N 114.483 -1.235 . . . . 0.0 110.423 -178.466 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.41 ' O ' ' HG2' ' A' ' 36' ' ' GLN . 74.9 mt -59.3 -42.2 86.47 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.378 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.922 179.085 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 50.6 m -61.37 -39.64 91.39 Favored 'General case' 0 C--O 1.246 0.896 0 CA-C-O 120.692 0.282 . . . . 0.0 111.458 179.348 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 34' ' ' PHE . . . . . 0.448 ' HB2' HD21 ' A' ' 17' ' ' LEU . 83.0 m-85 -71.03 -31.32 67.76 Favored 'General case' 0 C--O 1.225 -0.186 0 N-CA-C 110.084 -0.339 . . . . 0.0 110.084 175.896 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 20.7 m -66.38 -35.84 81.35 Favored 'General case' 0 C--O 1.217 -0.644 0 N-CA-C 109.375 -0.602 . . . . 0.0 109.375 177.81 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 36' ' ' GLN . . . . . 0.41 ' HG2' ' O ' ' A' ' 32' ' ' ILE . 14.1 mm-40 -68.88 -28.84 67.06 Favored 'General case' 0 C--O 1.235 0.319 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.433 176.715 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 41.1 tt0 -75.44 -44.0 46.75 Favored 'General case' 0 C--N 1.318 -0.794 0 N-CA-C 108.979 -0.748 . . . . 0.0 108.979 177.394 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.425 HD11 ' HB3' ' A' ' 14' ' ' LYS . 4.9 tt -58.17 -46.24 86.06 Favored 'General case' 0 C--O 1.219 -0.508 0 N-CA-C 108.247 -1.02 . . . . 0.0 108.247 176.26 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 34.1 t70 -56.18 -40.0 73.25 Favored 'General case' 0 C--O 1.219 -0.516 0 C-N-CA 123.887 0.875 . . . . 0.0 110.376 179.745 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 40' ' ' ARG . . . . . 0.401 ' O ' ' HG ' ' A' ' 44' ' ' LEU . 0.5 OUTLIER -61.27 -49.87 75.32 Favored 'General case' 0 CA--C 1.538 0.509 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.754 176.576 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 10.3 mp -66.57 -32.89 74.53 Favored 'General case' 0 N--CA 1.467 0.414 0 CA-C-O 121.037 0.446 . . . . 0.0 111.416 -179.686 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 7.5 tt -66.24 -41.46 89.98 Favored 'General case' 0 C--N 1.311 -1.101 0 N-CA-C 108.849 -0.797 . . . . 0.0 108.849 176.992 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 12.9 m120 -64.6 -27.27 68.83 Favored 'General case' 0 C--O 1.209 -1.047 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.938 178.431 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.401 ' HG ' ' O ' ' A' ' 40' ' ' ARG . 94.2 mt -61.94 -32.24 72.65 Favored 'General case' 0 C--N 1.321 -0.636 0 O-C-N 123.137 0.273 . . . . 0.0 111.25 179.427 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.451 HD23 HD23 ' A' ' 6' ' ' LEU . 94.4 mt -65.27 -39.64 92.87 Favored 'General case' 0 C--O 1.237 0.403 0 N-CA-C 109.211 -0.663 . . . . 0.0 109.211 175.193 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 2.0 mp -72.8 -40.89 61.4 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.846 0 CA-C-N 115.133 -0.94 . . . . 0.0 110.147 179.401 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 47' ' ' GLU . . . . . 0.538 ' O ' ' HG2' ' A' ' 51' ' ' LYS . 35.5 mt-10 -64.52 -35.63 81.58 Favored 'General case' 0 C--O 1.215 -0.727 0 O-C-N 122.254 -0.279 . . . . 0.0 111.511 177.651 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 21.4 tp -68.63 -37.3 79.62 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 121.378 0.609 . . . . 0.0 110.31 176.536 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 14.3 tmtt? -64.21 -35.87 82.21 Favored 'General case' 0 C--N 1.318 -0.783 0 CA-C-N 115.251 -0.886 . . . . 0.0 109.206 175.611 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 42.0 m -74.66 -24.64 58.84 Favored 'General case' 0 CA--C 1.554 1.123 0 CA-C-N 115.512 -0.767 . . . . 0.0 110.943 -179.895 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 51' ' ' LYS . . . . . 0.538 ' HG2' ' O ' ' A' ' 47' ' ' GLU . 45.7 mmtm -67.16 -29.55 69.28 Favored 'General case' 0 CA--C 1.513 -0.455 0 N-CA-C 109.707 -0.479 . . . . 0.0 109.707 176.553 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 58.7 pttt 53.03 14.34 0.46 Allowed 'General case' 0 N--CA 1.495 1.806 0 C-N-CA 126.872 2.069 . . . . 0.0 113.836 178.741 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 12.4 ptmm? -89.49 20.03 4.16 Favored 'General case' 0 C--N 1.31 -1.142 0 CA-C-O 121.911 0.862 . . . . 0.0 110.97 -178.603 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 63.8 mtp180 -86.09 130.02 34.66 Favored 'General case' 0 N--CA 1.416 -2.171 0 N-CA-C 107.319 -1.364 . . . . 0.0 107.319 175.198 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 69.3 m-85 -79.39 4.55 15.04 Favored 'General case' 0 C--N 1.294 -1.807 0 CA-C-O 121.419 0.628 . . . . 0.0 110.836 -175.186 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 12.7 p -76.34 -25.64 54.94 Favored 'General case' 0 N--CA 1.425 -1.694 0 CA-C-O 121.697 0.761 . . . . 0.0 109.002 173.535 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 82.9 mt -85.52 -36.76 20.31 Favored 'General case' 0 C--O 1.235 0.321 0 CA-C-N 115.405 -0.816 . . . . 0.0 109.516 178.528 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 89.8 mt -79.5 -39.31 32.36 Favored 'General case' 0 C--N 1.317 -0.809 0 CA-C-N 115.103 -0.953 . . . . 0.0 111.155 -178.244 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 34.8 mt-10 -104.06 -99.73 0.31 Allowed 'General case' 0 N--CA 1.436 -1.15 0 N-CA-C 109.693 -0.484 . . . . 0.0 109.693 179.317 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 42.2 m80 -144.69 150.02 36.62 Favored 'General case' 0 C--N 1.305 -1.346 0 C-N-CA 123.789 0.836 . . . . 0.0 109.28 178.487 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 25.5 t-80 -104.99 -35.28 7.72 Favored 'General case' 0 C--N 1.305 -1.354 0 N-CA-C 108.74 -0.837 . . . . 0.0 108.74 176.841 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 35.9 m80 -108.24 135.97 48.67 Favored 'General case' 0 C--N 1.298 -1.651 0 N-CA-C 108.512 -0.921 . . . . 0.0 108.512 -177.94 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 66.2 m80 -133.61 128.14 34.53 Favored 'General case' 0 C--N 1.3 -1.555 0 CA-C-O 120.728 0.299 . . . . 0.0 110.361 -176.382 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 52.3 m80 . . . . . 0 N--CA 1.421 -1.903 0 N-CA-C 107.978 -1.119 . . . . 0.0 107.978 176.546 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 42.5 ttm . . . . . 0 N--CA 1.47 0.535 0 CA-C-O 120.855 0.36 . . . . 0.0 110.396 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' ASN . . . . . 0.481 ' OD1' ' HB ' ' A' ' 4' ' ' THR . 22.4 t-20 -77.75 118.71 20.37 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-N 116.0 -0.545 . . . . 0.0 111.726 -176.375 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 33.3 m -74.77 -28.42 21.62 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.541 0 C-N-CA 122.96 0.504 . . . . 0.0 112.106 177.764 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' THR . . . . . 0.481 ' HB ' ' OD1' ' A' ' 2' ' ' ASN . 28.6 m -53.35 -41.44 65.78 Favored 'General case' 0 C--N 1.319 -0.734 0 C-N-CA 125.018 1.327 . . . . 0.0 112.112 -173.516 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 5' ' ' LYS . . . . . 0.533 ' O ' ' HG3' ' A' ' 9' ' ' ARG . 22.8 pttm -55.31 -26.8 42.77 Favored 'General case' 0 C--N 1.306 -1.317 0 CA-C-N 114.916 -1.038 . . . . 0.0 112.651 -178.565 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 44.4 tp -64.12 -50.22 69.09 Favored 'General case' 0 C--O 1.234 0.254 0 N-CA-C 109.726 -0.472 . . . . 0.0 109.726 178.354 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' ASN . . . . . 0.456 ' HA ' HD12 ' A' ' 10' ' ' ILE . 9.5 t30 -68.06 -32.23 72.43 Favored 'General case' 0 CA--C 1.508 -0.655 0 N-CA-C 108.992 -0.744 . . . . 0.0 108.992 178.559 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 8' ' ' ASP . . . . . 0.47 ' HB3' ' HA ' ' A' ' 5' ' ' LYS . 25.1 t70 -60.71 -32.54 71.78 Favored 'General case' 0 C--N 1.31 -1.125 0 CA-C-N 114.843 -1.071 . . . . 0.0 110.888 176.9 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 9' ' ' ARG . . . . . 0.533 ' HG3' ' O ' ' A' ' 5' ' ' LYS . 71.9 mtp180 -68.17 -39.77 82.48 Favored 'General case' 0 C--O 1.24 0.597 0 N-CA-C 108.718 -0.845 . . . . 0.0 108.718 176.151 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.456 HD12 ' HA ' ' A' ' 7' ' ' ASN . 49.1 mt -63.11 -48.7 86.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 CA-C-N 115.02 -0.991 . . . . 0.0 109.256 179.131 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 11' ' ' GLU . . . . . 0.445 ' O ' ' HG2' ' A' ' 14' ' ' LYS . 18.8 mm-40 -51.16 -48.38 61.9 Favored 'General case' 0 N--CA 1.467 0.423 0 O-C-N 123.909 0.756 . . . . 0.0 111.321 179.391 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -64.38 -41.58 96.6 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.574 -179.929 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 61.8 mttp -77.37 -32.51 55.03 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 113.525 0.935 . . . . 0.0 113.525 -176.771 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.454 ' O ' HG13 ' A' ' 18' ' ' ILE . 18.6 ptmt -67.27 -34.46 77.46 Favored 'General case' 0 C--N 1.32 -0.68 0 C-N-CA 120.684 -0.406 . . . . 0.0 109.922 -179.846 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 75.9 mmtt -70.75 -30.61 67.17 Favored 'General case' 0 C--O 1.239 0.551 0 CA-C-O 121.303 0.573 . . . . 0.0 110.209 177.562 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.49 ' O ' ' HG ' ' A' ' 20' ' ' LEU . 38.6 tt0 -74.89 -42.83 57.08 Favored 'General case' 0 C--N 1.315 -0.933 0 N-CA-C 108.649 -0.871 . . . . 0.0 108.649 -178.63 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.428 ' O ' HG23 ' A' ' 21' ' ' VAL . 13.7 mt -59.39 -42.31 91.43 Favored 'General case' 0 N--CA 1.427 -1.579 0 CA-C-N 114.716 -1.129 . . . . 0.0 112.458 176.518 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.454 HG13 ' O ' ' A' ' 14' ' ' LYS . 85.8 mt -57.38 -44.79 84.98 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.63 0 CA-C-O 120.74 0.305 . . . . 0.0 110.26 176.51 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 65.1 t80 -61.8 -45.29 94.47 Favored 'General case' 0 C--O 1.248 0.999 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.487 176.703 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.49 ' HG ' ' O ' ' A' ' 16' ' ' GLU . 84.5 mt -63.96 -42.26 97.32 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.91 -0.586 . . . . 0.0 111.087 -179.716 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.516 ' O ' ' HA2' ' A' ' 25' ' ' GLY . 78.3 t -62.2 -33.24 57.73 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.836 0 C-N-CA 123.124 0.57 . . . . 0.0 111.838 178.199 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.42 ' HG3' ' O ' ' A' ' 18' ' ' ILE . 47.0 mt-10 -68.34 -50.48 53.03 Favored 'General case' 0 C--N 1.314 -0.972 0 O-C-N 121.416 -0.802 . . . . 0.0 110.914 175.142 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 11.6 mptt -81.9 -48.37 11.6 Favored 'General case' 0 C--N 1.319 -0.723 0 N-CA-C 113.674 0.99 . . . . 0.0 113.674 -171.198 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 92.5 m-85 -98.53 -42.13 7.44 Favored 'General case' 0 C--N 1.304 -1.37 0 N-CA-C 109.003 -0.74 . . . . 0.0 109.003 -179.922 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' GLY . . . . . 0.516 ' HA2' ' O ' ' A' ' 21' ' ' VAL . . . 89.08 -129.19 9.53 Favored Glycine 0 N--CA 1.419 -2.45 0 N-CA-C 109.406 -1.478 . . . . 0.0 109.406 -177.679 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 50.4 m-85 -112.1 -158.07 0.64 Allowed 'General case' 0 C--N 1.276 -2.59 0 N-CA-C 107.577 -1.268 . . . . 0.0 107.577 173.676 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 59.2 p 68.47 -40.58 0.43 Allowed 'General case' 0 N--CA 1.481 1.076 0 C-N-CA 125.729 1.612 . . . . 0.0 112.257 -174.135 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 62.6 t-80 -62.36 115.8 4.51 Favored 'General case' 0 N--CA 1.439 -0.982 0 N-CA-C 108.031 -1.1 . . . . 0.0 108.031 176.313 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 91.5 m-70 -59.39 -35.45 73.97 Favored 'General case' 0 C--N 1.306 -1.287 0 C-N-CA 124.475 1.11 . . . . 0.0 113.285 -171.459 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 75.4 mmtt -62.68 -44.16 96.96 Favored 'General case' 0 C--O 1.224 -0.257 0 C-N-CA 120.686 -0.406 . . . . 0.0 110.581 178.719 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 91.6 t -59.46 -45.33 93.78 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.581 0 N-CA-C 109.409 -0.589 . . . . 0.0 109.409 -179.772 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.447 ' O ' ' HG3' ' A' ' 36' ' ' GLN . 67.3 mt -62.29 -45.85 97.8 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.909 0 CA-C-N 115.2 -0.909 . . . . 0.0 109.936 179.469 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 21.7 m -64.71 -36.1 83.19 Favored 'General case' 0 C--O 1.245 0.83 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.827 -178.676 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 18.8 m-85 -71.75 -38.95 70.34 Favored 'General case' 0 N--CA 1.463 0.197 0 N-CA-C 110.03 -0.359 . . . . 0.0 110.03 178.972 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 22.1 t -63.97 -32.48 74.03 Favored 'General case' 0 C--O 1.242 0.709 0 CA-C-O 121.382 0.611 . . . . 0.0 110.084 178.978 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 36' ' ' GLN . . . . . 0.447 ' HG3' ' O ' ' A' ' 32' ' ' ILE . 26.0 mt-30 -67.17 -40.09 86.53 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.652 176.037 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 37' ' ' GLU . . . . . 0.54 ' O ' ' HG ' ' A' ' 41' ' ' LEU . 35.9 tt0 -68.38 -42.08 79.66 Favored 'General case' 0 N--CA 1.447 -0.586 0 N-CA-C 109.406 -0.59 . . . . 0.0 109.406 -179.325 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 7.2 tt -53.17 -53.38 51.42 Favored 'General case' 0 CA--C 1.531 0.228 0 O-C-N 124.011 0.819 . . . . 0.0 109.601 177.899 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 15.4 t70 -56.82 -42.41 79.53 Favored 'General case' 0 N--CA 1.477 0.908 0 CA-C-O 121.113 0.482 . . . . 0.0 111.323 179.091 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 40' ' ' ARG . . . . . 0.488 ' O ' ' HG ' ' A' ' 44' ' ' LEU . 20.0 mmt180 -71.42 -29.37 64.81 Favored 'General case' 0 N--CA 1.439 -0.975 0 N-CA-C 112.715 0.635 . . . . 0.0 112.715 -178.924 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.54 ' HG ' ' O ' ' A' ' 37' ' ' GLU . 98.2 mt -65.83 -37.25 85.7 Favored 'General case' 0 C--N 1.317 -0.818 0 N-CA-C 109.014 -0.736 . . . . 0.0 109.014 174.355 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.512 ' O ' HG13 ' A' ' 46' ' ' ILE . 3.9 mm? -61.94 -39.59 92.61 Favored 'General case' 0 C--O 1.219 -0.508 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.095 173.492 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 5.7 m-20 -63.31 -27.85 69.61 Favored 'General case' 0 N--CA 1.485 1.286 0 CA-C-O 121.372 0.606 . . . . 0.0 111.417 178.522 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.488 ' HG ' ' O ' ' A' ' 40' ' ' ARG . 86.6 mt -72.65 -40.45 66.36 Favored 'General case' 0 C--N 1.312 -1.034 0 CA-C-N 115.751 -0.659 . . . . 0.0 109.261 177.004 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 90.0 mt -64.96 -38.38 90.76 Favored 'General case' 0 CA--C 1.512 -0.512 0 CA-C-N 116.646 -0.252 . . . . 0.0 110.527 177.23 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.512 HG13 ' O ' ' A' ' 42' ' ' LEU . 78.1 mt -59.03 -31.74 46.31 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.475 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.053 177.615 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 34.0 tt0 -67.82 -39.33 83.94 Favored 'General case' 0 C--N 1.313 -0.991 0 N-CA-C 109.484 -0.561 . . . . 0.0 109.484 178.555 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -70.5 -34.91 72.88 Favored 'General case' 0 C--O 1.236 0.376 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.231 176.241 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 11.6 mmmm -59.04 -42.09 89.43 Favored 'General case' 0 C--O 1.22 -0.494 0 CA-C-N 115.941 -0.572 . . . . 0.0 109.588 174.451 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 40.5 m -65.14 -21.74 66.83 Favored 'General case' 0 CA--C 1.552 1.049 0 CA-C-N 115.354 -0.839 . . . . 0.0 111.548 -178.714 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 73.8 mmtt -75.78 -20.37 58.29 Favored 'General case' 0 N--CA 1.455 -0.217 0 N-CA-C 108.774 -0.824 . . . . 0.0 108.774 178.737 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 52' ' ' LYS . . . . . 0.405 ' HA ' HD12 ' A' ' 57' ' ' LEU 0.279 22.2 pttp 53.65 3.48 0.04 OUTLIER 'General case' 0 N--CA 1.488 1.427 0 C-N-CA 127.991 2.516 . . . . 0.0 116.617 175.915 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 61.4 pttt -101.94 17.92 21.94 Favored 'General case' 0 C--N 1.297 -1.688 0 CA-C-O 121.912 0.863 . . . . 0.0 109.237 179.779 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 31.3 mmt180 -100.93 156.27 17.48 Favored 'General case' 0 C--N 1.303 -1.423 0 CA-C-N 115.026 -0.988 . . . . 0.0 110.941 -178.127 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 55' ' ' TYR . . . . . 0.405 ' HA ' ' HB2' ' A' ' 58' ' ' LEU . 90.2 m-85 -68.93 -9.78 53.73 Favored 'General case' 0 C--O 1.216 -0.693 0 N-CA-C 113.089 0.774 . . . . 0.0 113.089 -173.15 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 2.0 p -72.46 -24.88 61.26 Favored 'General case' 0 C--N 1.3 -1.561 0 CA-C-O 121.328 0.585 . . . . 0.0 110.717 176.382 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.405 HD12 ' HA ' ' A' ' 52' ' ' LYS . 88.0 mt -110.05 -29.47 8.21 Favored 'General case' 0 N--CA 1.442 -0.844 0 CA-C-N 116.022 -0.536 . . . . 0.0 111.43 175.436 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.405 ' HB2' ' HA ' ' A' ' 55' ' ' TYR . 85.4 mt -71.78 -33.7 68.82 Favored 'General case' 0 CA--C 1.518 -0.257 0 CA-C-N 116.371 -0.377 . . . . 0.0 111.104 -179.32 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 32.4 mm-40 -104.88 117.97 35.37 Favored 'General case' 0 N--CA 1.421 -1.889 0 N-CA-C 108.263 -1.014 . . . . 0.0 108.263 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 8.9 p-80 -65.42 112.9 3.76 Favored 'General case' 0 C--N 1.298 -1.648 0 CA-C-N 115.663 -0.699 . . . . 0.0 111.26 179.399 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 20.7 p80 -136.51 124.89 23.35 Favored 'General case' 0 N--CA 1.433 -1.291 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.692 178.028 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 35.0 t-80 62.39 97.62 0.03 OUTLIER 'General case' 0 C--O 1.245 0.855 0 C-N-CA 125.494 1.518 . . . . 0.0 112.85 177.633 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 33.9 t60 -94.06 118.69 31.88 Favored 'General case' 0 C--N 1.303 -1.422 0 N-CA-C 107.9 -1.148 . . . . 0.0 107.9 176.616 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 49.7 t-80 . . . . . 0 C--N 1.295 -1.789 0 N-CA-C 108.704 -0.85 . . . . 0.0 108.704 -178.561 . . . . . . . . 0 0 . 1 . 021 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 64.8 mtt . . . . . 0 CA--C 1.501 -0.921 0 N-CA-C 108.879 -0.785 . . . . 0.0 108.879 . . . . . . . . . 0 0 . 1 . 021 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 3.4 m-20 -81.68 139.77 34.74 Favored 'General case' 0 C--N 1.302 -1.464 0 N-CA-C 108.066 -1.087 . . . . 0.0 108.066 177.188 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 27.3 m -68.5 -22.44 27.08 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.638 0 N-CA-C 112.265 0.468 . . . . 0.0 112.265 -175.432 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 9.0 t -65.96 -38.02 87.5 Favored 'General case' 0 CA--C 1.551 1.007 0 CA-C-O 121.083 0.468 . . . . 0.0 109.82 176.092 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 5' ' ' LYS . . . . . 0.416 ' HD3' ' HA ' ' A' ' 5' ' ' LYS . 26.9 mmtt -77.62 -30.14 52.16 Favored 'General case' 0 N--CA 1.437 -1.075 0 O-C-N 121.886 -0.509 . . . . 0.0 111.796 176.386 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.402 ' O ' HG13 ' A' ' 10' ' ' ILE . 58.8 tp -61.88 -43.22 99.28 Favored 'General case' 0 C--N 1.319 -0.727 0 N-CA-C 107.88 -1.155 . . . . 0.0 107.88 173.891 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 25.8 t-20 -63.52 -40.32 96.73 Favored 'General case' 0 C--O 1.212 -0.92 0 CA-C-N 115.096 -0.956 . . . . 0.0 110.588 178.186 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 32.6 t70 -58.62 -37.96 77.02 Favored 'General case' 0 N--CA 1.488 1.432 0 CA-C-O 121.248 0.547 . . . . 0.0 111.36 178.26 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 81.1 mtp180 -65.17 -50.19 66.93 Favored 'General case' 0 C--O 1.243 0.757 0 CA-C-O 121.41 0.624 . . . . 0.0 109.74 177.035 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.53 ' O ' ' HG2' ' A' ' 14' ' ' LYS . 74.3 mt -62.88 -44.12 99.37 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.739 0 CA-C-N 114.555 -1.202 . . . . 0.0 110.89 -178.137 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 7.8 tp10 -56.57 -40.09 74.61 Favored 'General case' 0 C--N 1.33 -0.247 0 C-N-CA 123.79 0.836 . . . . 0.0 110.65 -178.02 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -65.45 -36.73 84.79 Favored 'General case' 0 C--N 1.316 -0.852 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.645 178.41 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 34.9 mmtp -76.56 -39.85 51.54 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.623 -177.828 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.53 ' HG2' ' O ' ' A' ' 10' ' ' ILE . 10.1 ptmm? -73.89 -31.87 63.32 Favored 'General case' 0 C--N 1.313 -0.987 0 N-CA-C 112.76 0.652 . . . . 0.0 112.76 -179.746 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.416 ' HD3' ' N ' ' A' ' 16' ' ' GLU . 0.0 OUTLIER -65.42 -32.71 74.48 Favored 'General case' 0 C--O 1.237 0.415 0 C-N-CA 119.728 -0.789 . . . . 0.0 109.431 175.936 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.567 ' O ' ' HG ' ' A' ' 20' ' ' LEU . 34.5 tt0 -73.01 -46.48 51.88 Favored 'General case' 0 N--CA 1.431 -1.397 0 CA-C-N 114.71 -1.132 . . . . 0.0 109.109 177.01 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.529 ' O ' HG23 ' A' ' 21' ' ' VAL . 58.0 tp -56.68 -45.83 81.5 Favored 'General case' 0 C--O 1.216 -0.676 0 CA-C-N 115.802 -0.635 . . . . 0.0 111.561 179.447 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.518 HG13 ' O ' ' A' ' 14' ' ' LYS . 75.9 mt -59.95 -42.7 90.35 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.448 0 N-CA-C 109.561 -0.533 . . . . 0.0 109.561 178.882 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 79.1 t80 -61.68 -39.62 92.05 Favored 'General case' 0 C--O 1.239 0.541 0 CA-C-O 121.325 0.583 . . . . 0.0 109.838 177.653 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.567 ' HG ' ' O ' ' A' ' 16' ' ' GLU . 76.9 mt -66.86 -35.61 80.42 Favored 'General case' 0 C--O 1.212 -0.899 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.466 178.404 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.529 HG23 ' O ' ' A' ' 17' ' ' LEU . 82.6 t -67.29 -36.79 77.65 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.795 0 CA-C-O 120.97 0.414 . . . . 0.0 110.23 177.158 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.512 ' HG3' ' O ' ' A' ' 18' ' ' ILE . 48.1 mt-10 -67.89 -51.68 45.21 Favored 'General case' 0 C--N 1.309 -1.161 0 CA-C-O 120.946 0.403 . . . . 0.0 110.503 177.896 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 74.4 mmtt -81.96 -47.99 12.02 Favored 'General case' 0 C--N 1.32 -0.675 0 N-CA-C 113.816 1.043 . . . . 0.0 113.816 -174.229 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 90.4 m-85 -96.84 -37.52 10.21 Favored 'General case' 0 C--N 1.311 -1.106 0 CA-C-O 120.718 0.294 . . . . 0.0 110.996 -176.001 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 78.66 159.47 14.29 Favored Glycine 0 C--O 1.258 1.631 0 CA-C-N 115.902 -0.59 . . . . 0.0 114.086 175.709 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 43.6 m-85 -72.16 87.09 1.08 Allowed 'General case' 0 N--CA 1.441 -0.879 0 CA-C-O 121.933 0.873 . . . . 0.0 111.15 176.205 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 14.8 t -169.49 -28.75 0.02 OUTLIER 'General case' 0 C--N 1.288 -2.084 0 N-CA-C 105.911 -1.885 . . . . 0.0 105.911 178.199 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 35.2 m80 -74.39 131.31 40.98 Favored 'General case' 0 N--CA 1.434 -1.259 0 CA-C-N 114.431 -1.258 . . . . 0.0 108.521 170.902 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 56.1 t60 -61.86 -32.85 73.24 Favored 'General case' 0 C--N 1.32 -0.699 0 O-C-N 123.786 0.679 . . . . 0.0 109.26 -179.883 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 44.1 mmtm -50.92 -58.94 4.74 Favored 'General case' 0 C--O 1.225 -0.226 0 O-C-N 123.802 0.689 . . . . 0.0 110.857 175.109 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 59.5 t -59.48 -42.98 89.6 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.71 0 C-N-CA 123.34 0.656 . . . . 0.0 110.81 -177.69 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 71.1 mt -66.06 -41.86 90.4 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.868 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.522 -179.423 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 20.7 t -66.98 -43.34 83.28 Favored 'General case' 0 C--N 1.317 -0.811 0 C-N-CA 122.697 0.399 . . . . 0.0 110.092 179.933 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 24.6 m-85 -66.08 -33.26 75.38 Favored 'General case' 0 C--O 1.214 -0.769 0 C-N-CA 120.97 -0.292 . . . . 0.0 110.692 178.595 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 11.5 t -67.49 -44.12 79.29 Favored 'General case' 0 C--N 1.319 -0.741 0 N-CA-C 109.723 -0.473 . . . . 0.0 109.723 179.055 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 49.7 mt-30 -65.43 -33.12 75.21 Favored 'General case' 0 N--CA 1.471 0.582 0 CA-C-O 121.635 0.731 . . . . 0.0 110.372 177.962 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 40.9 tp10 -69.39 -45.36 69.49 Favored 'General case' 0 N--CA 1.438 -1.053 0 CA-C-N 115.539 -0.755 . . . . 0.0 109.091 177.602 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 1.3 tm? -61.29 -37.43 83.17 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.309 -0.859 . . . . 0.0 108.816 178.866 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 29.5 m-20 -56.64 -44.08 80.92 Favored 'General case' 0 CA--C 1.509 -0.631 0 CA-C-O 120.65 0.262 . . . . 0.0 111.186 175.643 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 26.9 tpt180 -70.75 -36.87 73.32 Favored 'General case' 0 C--N 1.319 -0.757 0 C-N-CA 120.363 -0.535 . . . . 0.0 110.849 179.508 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 10.8 mp -62.64 -40.92 98.54 Favored 'General case' 0 N--CA 1.474 0.743 0 CA-C-O 120.937 0.398 . . . . 0.0 111.151 175.379 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 50.7 tp -63.94 -30.5 71.58 Favored 'General case' 0 C--N 1.318 -0.799 0 CA-C-O 121.738 0.78 . . . . 0.0 109.805 177.876 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 43' ' ' ASN . . . . . 0.518 ' O ' ' HG2' ' A' ' 47' ' ' GLU . 8.4 m-80 -75.36 -17.87 60.12 Favored 'General case' 0 C--N 1.316 -0.875 0 CA-C-N 115.046 -0.979 . . . . 0.0 112.476 177.583 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 95.6 mt -63.95 -31.86 73.19 Favored 'General case' 0 C--O 1.22 -0.494 0 CA-C-O 120.844 0.354 . . . . 0.0 110.722 179.649 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.479 ' O ' ' HG3' ' A' ' 49' ' ' LYS . 6.5 mp -63.37 -38.23 90.34 Favored 'General case' 0 C--N 1.322 -0.587 0 N-CA-C 109.202 -0.666 . . . . 0.0 109.202 176.135 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 86.6 mt -69.25 -40.71 80.65 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.664 0 CA-C-N 114.998 -1.001 . . . . 0.0 109.72 178.054 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 47' ' ' GLU . . . . . 0.518 ' HG2' ' O ' ' A' ' 43' ' ' ASN . 32.9 mm-40 -58.84 -47.23 85.58 Favored 'General case' 0 C--N 1.318 -0.794 0 N-CA-C 108.986 -0.746 . . . . 0.0 108.986 176.813 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -61.07 -35.58 77.34 Favored 'General case' 0 N--CA 1.469 0.519 0 N-CA-C 112.369 0.507 . . . . 0.0 112.369 177.039 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 49' ' ' LYS . . . . . 0.479 ' HG3' ' O ' ' A' ' 45' ' ' LEU . 55.8 mtpt -67.24 -33.17 74.79 Favored 'General case' 0 N--CA 1.471 0.611 0 CA-C-O 121.109 0.48 . . . . 0.0 110.15 176.416 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 31.9 m -75.05 -43.42 53.47 Favored 'General case' 0 N--CA 1.437 -1.09 0 CA-C-N 115.279 -0.873 . . . . 0.0 110.135 -179.432 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 1.9 mptm? -63.99 -51.59 63.54 Favored 'General case' 0 N--CA 1.445 -0.694 0 N-CA-C 110.05 -0.352 . . . . 0.0 110.05 175.561 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 21.8 pttm 40.69 37.58 0.51 Allowed 'General case' 0 N--CA 1.495 1.804 0 C-N-CA 125.837 1.655 . . . . 0.0 113.528 176.607 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 53' ' ' LYS . . . . . 0.615 ' HD3' ' H ' ' A' ' 54' ' ' ARG 0.386 0.0 OUTLIER -102.11 -73.19 0.66 Allowed 'General case' 0 N--CA 1.408 -2.56 0 N-CA-C 114.274 1.213 . . . . 0.0 114.274 -177.047 . . . . . . . . 4 4 . 1 . 021 nuclear build full ' A' A ' 54' ' ' ARG . . . . . 0.615 ' H ' ' HD3' ' A' ' 53' ' ' LYS . 55.0 mtm180 -143.13 94.14 2.59 Favored 'General case' 0 C--N 1.314 -0.948 0 CA-C-N 119.028 0.831 . . . . 0.0 110.176 177.747 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 18.4 p90 -136.35 -51.45 0.7 Allowed 'General case' 0 C--N 1.298 -1.636 0 CA-C-N 115.722 -0.672 . . . . 0.0 109.594 175.679 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 24.8 t -155.89 26.43 0.38 Allowed 'General case' 0 N--CA 1.436 -1.135 0 CA-C-O 121.362 0.601 . . . . 0.0 109.385 -179.772 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 76.0 mt -106.31 16.86 24.25 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-O 122.112 0.958 . . . . 0.0 108.787 179.537 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -87.42 -20.5 26.56 Favored 'General case' 0 C--N 1.317 -0.82 0 CA-C-N 114.795 -1.093 . . . . 0.0 109.073 -177.874 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 39.3 mt-10 -117.18 102.61 9.44 Favored 'General case' 0 C--N 1.315 -0.923 0 CA-C-N 115.323 -0.853 . . . . 0.0 109.767 179.867 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 34.2 m170 -132.87 155.71 48.52 Favored 'General case' 0 C--N 1.295 -1.782 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.227 179.671 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 17.7 p80 -93.0 -15.13 26.55 Favored 'General case' 0 C--N 1.316 -0.889 0 N-CA-C 107.244 -1.391 . . . . 0.0 107.244 170.271 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 40.0 t-80 -77.39 100.01 5.8 Favored 'General case' 0 N--CA 1.438 -1.056 0 N-CA-C 107.027 -1.471 . . . . 0.0 107.027 171.851 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 97.4 m-70 -78.54 108.77 12.16 Favored 'General case' 0 C--N 1.305 -1.362 0 CA-C-O 121.167 0.508 . . . . 0.0 110.701 -176.654 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 80.2 t60 . . . . . 0 C--N 1.3 -1.566 0 N-CA-C 106.642 -1.614 . . . . 0.0 106.642 -178.789 . . . . . . . . 0 0 . 1 . 022 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 72.3 mtm . . . . . 0 N--CA 1.467 0.379 0 CA-C-O 120.646 0.26 . . . . 0.0 110.725 . . . . . . . . . 0 0 . 1 . 022 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 90.4 m-20 -100.4 97.4 8.15 Favored 'General case' 0 C--O 1.251 1.158 0 C-N-CA 120.15 -0.62 . . . . 0.0 112.107 -176.273 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 27.7 m -68.32 -23.05 27.95 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.72 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.319 178.519 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 12.2 t -65.87 -32.77 74.48 Favored 'General case' 0 N--CA 1.441 -0.918 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.014 176.824 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 42.0 mmtm -78.59 -30.47 46.68 Favored 'General case' 0 CA--C 1.505 -0.784 0 CA-C-O 120.704 0.288 . . . . 0.0 110.639 178.042 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 45.5 tp -68.0 -43.81 78.03 Favored 'General case' 0 C--N 1.316 -0.864 0 N-CA-C 107.984 -1.117 . . . . 0.0 107.984 175.99 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 7' ' ' ASN . . . . . 0.524 ' HB2' HD21 ' A' ' 45' ' ' LEU . 7.9 t30 -60.94 -40.99 95.38 Favored 'General case' 0 C--O 1.219 -0.539 0 CA-C-N 115.092 -0.958 . . . . 0.0 109.522 176.351 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 19.2 t70 -58.99 -34.42 71.81 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-N 114.742 -1.117 . . . . 0.0 110.663 179.688 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 61.8 mtp180 -67.85 -39.46 83.8 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.67 -0.696 . . . . 0.0 110.12 176.849 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.487 ' O ' ' HG3' ' A' ' 14' ' ' LYS . 53.9 mt -63.17 -42.63 97.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 N-CA-C 108.704 -0.85 . . . . 0.0 108.704 178.421 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 11' ' ' GLU . . . . . 0.514 ' HG2' ' O ' ' A' ' 7' ' ' ASN . 16.8 mm-40 -55.5 -47.22 76.55 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.411 -0.813 . . . . 0.0 111.056 179.103 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -70.46 -27.85 64.56 Favored 'General case' 0 C--O 1.246 0.889 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.853 -179.261 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 18.1 tptm -77.24 -33.11 56.12 Favored 'General case' 0 C--N 1.317 -0.811 0 N-CA-C 109.118 -0.697 . . . . 0.0 109.118 -178.361 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.562 ' O ' HG12 ' A' ' 18' ' ' ILE . 97.9 mttt -58.77 -49.29 78.2 Favored 'General case' 0 C--O 1.21 -0.975 0 CA-C-N 115.649 -0.705 . . . . 0.0 109.323 173.501 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 29.1 mtpp -58.76 -40.08 82.87 Favored 'General case' 0 N--CA 1.47 0.53 0 O-C-N 123.853 0.721 . . . . 0.0 110.45 -179.375 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 33.4 tt0 -65.72 -42.26 91.29 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-N 115.637 -0.711 . . . . 0.0 109.23 179.221 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.504 ' O ' HG23 ' A' ' 21' ' ' VAL . 55.1 tp -64.15 -41.59 97.12 Favored 'General case' 0 N--CA 1.445 -0.72 0 CA-C-N 115.37 -0.832 . . . . 0.0 110.862 179.375 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.562 HG12 ' O ' ' A' ' 14' ' ' LYS . 27.3 mm -53.81 -51.98 39.34 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.678 0 N-CA-C 108.468 -0.938 . . . . 0.0 108.468 179.511 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 54.1 t80 -55.96 -43.52 77.6 Favored 'General case' 0 C--N 1.314 -0.976 0 CA-C-N 113.528 -1.669 . . . . 0.0 110.449 -178.281 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.506 HD13 ' CE2' ' A' ' 34' ' ' PHE . 80.5 mt -74.49 -36.34 63.26 Favored 'General case' 0 C--N 1.309 -1.169 0 CA-C-N 115.438 -0.801 . . . . 0.0 112.775 -178.556 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.504 HG23 ' O ' ' A' ' 17' ' ' LEU . 87.9 t -64.72 -40.87 90.55 Favored 'Isoleucine or valine' 0 C--O 1.241 0.606 0 CA-C-O 120.827 0.346 . . . . 0.0 110.252 178.554 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.449 ' HG2' ' O ' ' A' ' 18' ' ' ILE . 44.2 mm-40 -64.51 -33.14 75.21 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-O 121.19 0.519 . . . . 0.0 110.802 179.193 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 59.3 mttm -82.03 -44.81 16.14 Favored 'General case' 0 C--N 1.316 -0.853 0 N-CA-C 113.976 1.102 . . . . 0.0 113.976 -179.056 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 89.8 m-85 -109.12 -20.34 13.03 Favored 'General case' 0 C--N 1.305 -1.328 0 N-CA-C 114.491 1.293 . . . . 0.0 114.491 -170.464 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 89.72 174.06 45.64 Favored Glycine 0 C--N 1.306 -1.092 0 C-N-CA 119.797 -1.192 . . . . 0.0 111.929 -178.955 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 26.0 p90 -84.34 -20.24 32.34 Favored 'General case' 0 C--N 1.309 -1.163 0 CA-C-O 121.148 0.499 . . . . 0.0 111.515 -176.155 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 6.4 m -84.82 -6.17 59.34 Favored 'General case' 0 CA--C 1.553 1.088 0 CA-C-O 121.495 0.665 . . . . 0.0 111.256 -176.01 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 57.7 t60 -77.8 124.99 28.66 Favored 'General case' 0 C--N 1.316 -0.883 0 N-CA-C 108.861 -0.792 . . . . 0.0 108.861 -179.327 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 45.0 m80 -56.53 -42.6 78.75 Favored 'General case' 0 N--CA 1.483 1.216 0 N-CA-C 112.918 0.71 . . . . 0.0 112.918 -173.952 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 29.7 mtpp -60.36 -40.0 89.21 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.581 -0.282 . . . . 0.0 111.073 179.389 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 94.9 t -64.4 -39.0 84.01 Favored 'Isoleucine or valine' 0 C--O 1.247 0.95 0 CA-C-O 121.007 0.432 . . . . 0.0 110.101 179.909 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.512 ' O ' ' HG2' ' A' ' 36' ' ' GLN . 70.3 mt -60.95 -44.87 98.95 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.654 0 N-CA-C 109.142 -0.688 . . . . 0.0 109.142 176.157 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 33' ' ' SER . . . . . 0.404 ' O ' ' HG3' ' A' ' 37' ' ' GLU . 22.7 t -63.35 -37.81 88.71 Favored 'General case' 0 CA--C 1.546 0.82 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.05 179.522 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 34' ' ' PHE . . . . . 0.506 ' CE2' HD13 ' A' ' 20' ' ' LEU . 16.3 m-85 -67.29 -35.9 80.43 Favored 'General case' 0 N--CA 1.471 0.616 0 CA-C-O 121.374 0.607 . . . . 0.0 109.876 178.695 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 31.4 m -66.84 -33.56 75.88 Favored 'General case' 0 C--N 1.317 -0.82 0 CA-C-N 115.426 -0.806 . . . . 0.0 110.07 178.272 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 36' ' ' GLN . . . . . 0.512 ' HG2' ' O ' ' A' ' 32' ' ' ILE . 27.7 mm-40 -67.1 -39.05 86.65 Favored 'General case' 0 C--O 1.225 -0.229 0 N-CA-C 109.097 -0.705 . . . . 0.0 109.097 176.703 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 37' ' ' GLU . . . . . 0.404 ' HG3' ' O ' ' A' ' 33' ' ' SER . 49.4 mt-10 -59.84 -47.93 83.72 Favored 'General case' 0 CA--C 1.512 -0.511 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.112 178.101 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 1.5 tm? -58.43 -46.59 86.19 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.406 -0.815 . . . . 0.0 109.574 -177.421 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 17.1 t70 -61.79 -44.28 97.19 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.841 -0.618 . . . . 0.0 111.683 178.944 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -67.98 -37.83 81.97 Favored 'General case' 0 C--N 1.313 -0.984 0 N-CA-C 112.351 0.5 . . . . 0.0 112.351 -177.975 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.433 ' HB3' HG12 ' A' ' 10' ' ' ILE . 11.0 mp -66.81 -36.77 83.14 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 120.783 0.325 . . . . 0.0 110.679 175.253 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 50.7 tp -66.31 -35.83 81.37 Favored 'General case' 0 C--O 1.239 0.5 0 CA-C-O 121.387 0.613 . . . . 0.0 109.846 177.995 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 19.3 m-80 -67.2 -17.78 64.97 Favored 'General case' 0 CA--C 1.503 -0.862 0 CA-C-N 115.581 -0.736 . . . . 0.0 112.338 178.163 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 96.0 mt -66.2 -35.07 79.47 Favored 'General case' 0 C--N 1.32 -0.693 0 N-CA-C 110.263 -0.273 . . . . 0.0 110.263 177.782 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.524 HD21 ' HB2' ' A' ' 7' ' ' ASN . 7.7 mp -73.25 -41.66 63.43 Favored 'General case' 0 CA--C 1.507 -0.692 0 CA-C-O 121.414 0.626 . . . . 0.0 109.579 175.222 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 65.4 mt -60.76 -29.8 45.85 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.762 0 CA-C-N 114.931 -1.031 . . . . 0.0 109.981 179.582 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 47' ' ' GLU . . . . . 0.535 ' O ' ' HG3' ' A' ' 51' ' ' LYS . 9.0 tp10 -59.75 -35.24 74.18 Favored 'General case' 0 CA--C 1.54 0.592 0 C-N-CA 123.919 0.888 . . . . 0.0 110.85 178.934 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -71.37 -34.92 70.88 Favored 'General case' 0 CA--C 1.516 -0.338 0 CA-C-O 121.376 0.608 . . . . 0.0 109.786 177.655 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 14.6 mmmm -72.02 -43.88 64.32 Favored 'General case' 0 C--N 1.309 -1.168 0 CA-C-N 115.323 -0.853 . . . . 0.0 110.546 -178.726 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 23.5 p -65.39 -16.35 63.53 Favored 'General case' 0 C--O 1.245 0.851 0 N-CA-C 113.519 0.933 . . . . 0.0 113.519 -178.92 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 51' ' ' LYS . . . . . 0.535 ' HG3' ' O ' ' A' ' 47' ' ' GLU . 61.3 mtpt -61.42 -41.03 96.52 Favored 'General case' 0 N--CA 1.438 -1.033 0 N-CA-C 108.184 -1.043 . . . . 0.0 108.184 173.579 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . 0.276 22.7 pttp 52.21 -6.59 0.01 OUTLIER 'General case' 0 N--CA 1.506 2.359 0 C-N-CA 127.697 2.399 . . . . 0.0 115.851 -178.098 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 53' ' ' LYS . . . . . 0.483 ' H ' ' C ' ' A' ' 51' ' ' LYS . 0.1 OUTLIER -87.7 25.68 1.45 Allowed 'General case' 0 C--N 1.294 -1.833 0 CA-C-O 121.985 0.898 . . . . 0.0 109.345 176.009 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 46.5 mtp180 -74.31 142.87 45.15 Favored 'General case' 0 N--CA 1.427 -1.614 0 N-CA-C 107.175 -1.417 . . . . 0.0 107.175 -178.907 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 97.5 m-85 -68.71 -19.37 64.36 Favored 'General case' 0 C--N 1.302 -1.473 0 N-CA-C 112.251 0.463 . . . . 0.0 112.251 -173.65 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 4.6 p -67.84 -23.16 65.13 Favored 'General case' 0 C--N 1.309 -1.191 0 CA-C-N 116.079 -0.51 . . . . 0.0 111.028 174.587 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 82.3 mt -96.51 -44.67 7.07 Favored 'General case' 0 N--CA 1.451 -0.409 0 CA-C-N 116.183 -0.462 . . . . 0.0 109.823 178.358 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 71.6 mt -75.82 -44.25 42.01 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-N 115.586 -0.734 . . . . 0.0 112.698 -175.211 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 48.2 mm-40 -108.09 -162.0 0.8 Allowed 'General case' 0 C--N 1.299 -1.624 0 N-CA-C 108.922 -0.77 . . . . 0.0 108.922 -174.3 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 40.0 m-70 -106.95 150.41 26.49 Favored 'General case' 0 C--N 1.291 -1.971 0 N-CA-C 107.686 -1.227 . . . . 0.0 107.686 172.863 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 16.3 m-70 73.34 167.45 0.31 Allowed 'General case' 0 C--N 1.32 -0.692 0 O-C-N 124.645 1.216 . . . . 0.0 111.19 -174.455 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 79.8 m80 -97.24 -2.56 42.49 Favored 'General case' 0 C--N 1.301 -1.532 0 CA-C-N 116.035 -0.529 . . . . 0.0 111.408 -176.488 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 59.9 t-80 -127.91 139.97 52.28 Favored 'General case' 0 C--N 1.299 -1.621 0 N-CA-C 108.502 -0.925 . . . . 0.0 108.502 -179.263 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 40.3 t60 . . . . . 0 C--N 1.302 -1.495 0 N-CA-C 108.389 -0.967 . . . . 0.0 108.389 179.371 . . . . . . . . 0 0 . 1 . 023 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 22.1 ptp . . . . . 0 CA--C 1.513 -0.469 0 N-CA-C 109.664 -0.495 . . . . 0.0 109.664 . . . . . . . . . 0 0 . 1 . 023 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 25.2 m120 72.35 111.07 0.06 Allowed 'General case' 0 N--CA 1.481 1.088 0 C-N-CA 125.084 1.354 . . . . 0.0 111.749 -178.277 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 31.1 m -65.58 -28.02 43.14 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.668 0 CA-C-N 115.349 -0.841 . . . . 0.0 112.783 -173.822 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 9.9 t -65.19 -41.72 94.29 Favored 'General case' 0 N--CA 1.44 -0.972 0 C-N-CA 120.683 -0.407 . . . . 0.0 111.639 -179.84 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 5' ' ' LYS . . . . . 0.475 ' O ' ' HG3' ' A' ' 9' ' ' ARG . 0.3 OUTLIER -78.13 -28.28 48.46 Favored 'General case' 0 N--CA 1.443 -0.801 0 C-N-CA 119.547 -0.861 . . . . 0.0 110.408 178.517 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.559 ' O ' HG13 ' A' ' 10' ' ' ILE . 56.0 tp -60.22 -52.19 66.34 Favored 'General case' 0 C--O 1.224 -0.254 0 N-CA-C 109.065 -0.717 . . . . 0.0 109.065 176.361 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 47.5 t-20 -62.26 -40.57 96.66 Favored 'General case' 0 C--O 1.24 0.564 0 CA-C-N 115.657 -0.701 . . . . 0.0 109.312 179.732 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 32.6 t70 -59.88 -47.19 86.76 Favored 'General case' 0 C--N 1.312 -1.028 0 CA-C-N 115.56 -0.745 . . . . 0.0 112.207 179.698 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 9' ' ' ARG . . . . . 0.475 ' HG3' ' O ' ' A' ' 5' ' ' LYS . 83.5 mtp180 -63.36 -35.05 79.11 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 120.963 0.411 . . . . 0.0 110.848 179.369 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.561 HG12 ' HB3' ' A' ' 41' ' ' LEU . 70.7 mt -64.0 -48.88 84.05 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.684 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.29 178.622 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 50.1 mt-10 -64.4 -31.55 72.8 Favored 'General case' 0 C--O 1.239 0.502 0 CA-C-O 120.835 0.35 . . . . 0.0 111.851 179.021 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -67.29 -37.09 82.84 Favored 'General case' 0 C--N 1.316 -0.859 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.503 176.804 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 83.5 mttt -77.3 -31.69 54.9 Favored 'General case' 0 CA--C 1.503 -0.83 0 C-N-CA 120.071 -0.652 . . . . 0.0 110.414 179.264 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.488 ' O ' HG13 ' A' ' 18' ' ' ILE . 55.0 mttm -60.2 -45.95 91.4 Favored 'General case' 0 C--N 1.317 -0.823 0 CA-C-N 115.764 -0.653 . . . . 0.0 110.93 175.435 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.95 -29.55 66.7 Favored 'General case' 0 N--CA 1.444 -0.728 0 C-N-CA 120.537 -0.465 . . . . 0.0 110.895 179.917 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.615 ' O ' ' HG ' ' A' ' 20' ' ' LEU . 16.6 tp10 -66.29 -45.04 81.78 Favored 'General case' 0 C--O 1.223 -0.301 0 N-CA-C 107.554 -1.276 . . . . 0.0 107.554 177.009 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.47 ' O ' HG23 ' A' ' 21' ' ' VAL . 34.1 tp -64.15 -40.39 96.06 Favored 'General case' 0 N--CA 1.438 -1.072 0 CA-C-N 114.871 -1.059 . . . . 0.0 110.433 179.39 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.51 ' O ' ' HG3' ' A' ' 22' ' ' GLU . 78.6 mt -58.98 -47.67 89.06 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.722 0 N-CA-C 109.771 -0.455 . . . . 0.0 109.771 176.395 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 55.2 t80 -53.58 -44.03 69.01 Favored 'General case' 0 C--O 1.244 0.8 0 C-N-CA 123.985 0.914 . . . . 0.0 109.857 177.323 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.615 ' HG ' ' O ' ' A' ' 16' ' ' GLU . 79.3 mt -65.94 -44.11 86.03 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 115.226 -0.897 . . . . 0.0 110.75 179.684 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.47 HG23 ' O ' ' A' ' 17' ' ' LEU . 84.9 t -64.02 -38.61 82.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 CA-C-N 116.508 -0.314 . . . . 0.0 110.457 179.406 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.51 ' HG3' ' O ' ' A' ' 18' ' ' ILE . 48.6 mt-10 -63.8 -50.85 67.34 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-O 121.032 0.444 . . . . 0.0 110.576 177.86 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 31.0 mmmt -80.1 -48.2 13.61 Favored 'General case' 0 C--N 1.315 -0.915 0 N-CA-C 114.292 1.219 . . . . 0.0 114.292 -173.455 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 57.8 m-85 -97.83 -43.21 7.22 Favored 'General case' 0 C--N 1.297 -1.688 0 CA-C-O 121.388 0.613 . . . . 0.0 110.379 -174.459 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 120.39 -166.44 13.72 Favored Glycine 0 N--CA 1.431 -1.665 0 N-CA-C 109.643 -1.383 . . . . 0.0 109.643 -176.166 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 41.7 p90 -115.2 1.86 13.94 Favored 'General case' 0 C--N 1.304 -1.375 0 CA-C-O 121.317 0.58 . . . . 0.0 111.715 -178.74 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 21.1 m -97.72 -2.88 40.28 Favored 'General case' 0 C--N 1.309 -1.158 0 CA-C-O 122.472 1.129 . . . . 0.0 108.825 178.471 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 49.8 t60 -78.68 128.45 33.47 Favored 'General case' 0 N--CA 1.439 -1.021 0 CA-C-N 114.535 -1.211 . . . . 0.0 108.612 -179.187 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 13.7 t-80 -53.47 -48.44 68.89 Favored 'General case' 0 N--CA 1.472 0.663 0 N-CA-C 114.18 1.178 . . . . 0.0 114.18 -171.073 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 22.1 pttm -66.84 -27.04 67.23 Favored 'General case' 0 C--O 1.216 -0.668 0 C-N-CA 119.246 -0.982 . . . . 0.0 112.904 -179.435 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.508 HG22 ' HB3' ' A' ' 20' ' ' LEU . 59.4 t -67.98 -41.71 84.84 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.897 0 N-CA-C 109.025 -0.731 . . . . 0.0 109.025 178.697 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 66.3 mt -66.4 -36.31 77.04 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.646 0 N-CA-C 108.918 -0.771 . . . . 0.0 108.918 176.92 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 22.6 t -60.84 -46.28 91.18 Favored 'General case' 0 N--CA 1.44 -0.966 0 CA-C-N 115.462 -0.79 . . . . 0.0 110.253 178.402 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 70.6 m-85 -66.53 -30.57 70.91 Favored 'General case' 0 CA--C 1.516 -0.354 0 N-CA-C 111.799 0.296 . . . . 0.0 111.799 177.792 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 23.0 t -61.6 -35.66 78.5 Favored 'General case' 0 C--O 1.244 0.772 0 N-CA-C 109.657 -0.497 . . . . 0.0 109.657 179.153 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 79.8 mm-40 -64.34 -41.13 96.94 Favored 'General case' 0 N--CA 1.465 0.316 0 CA-C-O 121.408 0.623 . . . . 0.0 109.559 175.922 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 28.0 mm-40 -64.36 -43.85 93.28 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.363 -0.835 . . . . 0.0 111.007 -179.926 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.55 ' O ' ' HG ' ' A' ' 42' ' ' LEU . 4.3 mm? -62.81 -40.36 97.14 Favored 'General case' 0 CA--C 1.51 -0.591 0 CA-C-N 115.991 -0.55 . . . . 0.0 111.134 176.663 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 16.8 t70 -57.86 -44.92 86.91 Favored 'General case' 0 N--CA 1.473 0.71 0 CA-C-O 121.511 0.672 . . . . 0.0 109.935 177.235 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 98.2 mtt180 -60.04 -43.24 95.47 Favored 'General case' 0 C--N 1.316 -0.853 0 CA-C-N 115.125 -0.943 . . . . 0.0 111.529 177.075 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.561 ' HB3' HG12 ' A' ' 10' ' ' ILE . 98.1 mt -69.17 -38.81 78.9 Favored 'General case' 0 C--N 1.318 -0.804 0 CA-C-N 116.042 -0.526 . . . . 0.0 111.361 179.328 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.55 ' HG ' ' O ' ' A' ' 38' ' ' LEU . 95.9 mt -60.55 -35.28 75.65 Favored 'General case' 0 C--N 1.317 -0.825 0 CA-C-O 121.191 0.52 . . . . 0.0 110.298 175.743 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 43' ' ' ASN . . . . . 0.414 ' HA ' HD12 ' A' ' 46' ' ' ILE . 24.2 m-80 -68.64 -18.34 64.28 Favored 'General case' 0 C--N 1.314 -0.951 0 CA-C-N 115.772 -0.649 . . . . 0.0 112.087 176.437 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.497 ' O ' ' HB2' ' A' ' 47' ' ' GLU . 97.5 mt -75.33 -40.64 58.12 Favored 'General case' 0 C--O 1.214 -0.806 0 N-CA-C 108.585 -0.894 . . . . 0.0 108.585 175.296 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 91.8 mt -62.59 -38.46 90.23 Favored 'General case' 0 C--O 1.239 0.55 0 CA-C-O 120.971 0.415 . . . . 0.0 110.024 174.828 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.414 HD12 ' HA ' ' A' ' 43' ' ' ASN . 70.4 mt -57.45 -38.81 65.12 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.277 0 CA-C-N 115.651 -0.704 . . . . 0.0 110.514 176.484 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 47' ' ' GLU . . . . . 0.497 ' HB2' ' O ' ' A' ' 44' ' ' LEU . 37.0 mm-40 -57.13 -32.84 66.76 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 115.994 -0.548 . . . . 0.0 112.264 177.575 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.489 ' HB3' ' HD3' ' A' ' 54' ' ' ARG . 3.0 mm? -77.42 -29.69 53.11 Favored 'General case' 0 C--O 1.241 0.631 0 CA-C-O 121.155 0.502 . . . . 0.0 110.816 177.977 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 94.3 mttt -69.96 -49.51 51.06 Favored 'General case' 0 C--N 1.316 -0.878 0 CA-C-O 121.445 0.64 . . . . 0.0 109.453 179.52 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 31.8 p -68.66 -21.85 64.43 Favored 'General case' 0 C--N 1.309 -1.158 0 CA-C-N 114.663 -1.153 . . . . 0.0 113.035 -174.543 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 48.8 mttp -73.67 -16.08 61.22 Favored 'General case' 0 C--N 1.319 -0.742 0 N-CA-C 112.571 0.582 . . . . 0.0 112.571 177.085 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 20.4 ptmt 54.78 11.85 0.51 Allowed 'General case' 0 N--CA 1.494 1.752 0 C-N-CA 125.943 1.697 . . . . 0.0 114.546 174.703 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 20.7 ptmt -95.67 7.32 46.63 Favored 'General case' 0 C--N 1.305 -1.327 0 CA-C-O 121.534 0.683 . . . . 0.0 111.844 -176.909 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 54' ' ' ARG . . . . . 0.489 ' HD3' ' HB3' ' A' ' 48' ' ' LEU . 62.3 mtm180 -93.63 170.91 9.23 Favored 'General case' 0 C--N 1.308 -1.216 0 N-CA-C 108.192 -1.04 . . . . 0.0 108.192 175.286 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 82.0 m-85 -77.34 3.89 12.05 Favored 'General case' 0 C--O 1.204 -1.314 0 N-CA-C 111.601 0.223 . . . . 0.0 111.601 178.293 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 31.4 t -62.74 -22.4 66.51 Favored 'General case' 0 CA--C 1.554 1.129 0 N-CA-C 113.418 0.895 . . . . 0.0 113.418 -176.43 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 79.6 mt -97.76 -8.85 27.68 Favored 'General case' 0 C--N 1.321 -0.671 0 C-N-CA 119.973 -0.691 . . . . 0.0 110.403 178.415 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 78.1 mt -96.35 -48.47 5.58 Favored 'General case' 0 C--N 1.307 -1.279 0 N-CA-C 107.174 -1.417 . . . . 0.0 107.174 -179.613 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 27.2 mm-40 -99.88 100.13 11.01 Favored 'General case' 0 N--CA 1.419 -2.019 0 N-CA-C 106.572 -1.64 . . . . 0.0 106.572 173.007 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 9.3 t-160 -66.58 119.86 12.44 Favored 'General case' 0 C--N 1.296 -1.737 0 CA-C-N 115.286 -0.87 . . . . 0.0 108.94 -175.172 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 49.2 t-80 -33.98 126.39 0.43 Allowed 'General case' 0 C--N 1.326 -0.425 0 C-N-CA 126.919 2.088 . . . . 0.0 113.719 -174.997 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 56.5 p-80 -52.82 117.41 2.92 Favored 'General case' 0 C--O 1.248 1.015 0 O-C-N 124.675 1.234 . . . . 0.0 110.757 179.602 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 45.4 m80 -73.89 122.65 22.86 Favored 'General case' 0 C--N 1.297 -1.677 0 CA-C-N 114.61 -1.177 . . . . 0.0 110.316 -176.597 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 80.0 t60 . . . . . 0 C--N 1.292 -1.916 0 N-CA-C 106.474 -1.676 . . . . 0.0 106.474 -178.735 . . . . . . . . 0 0 . 1 . 024 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.1 mmt . . . . . 0 CA--C 1.497 -1.084 0 N-CA-C 109.171 -0.677 . . . . 0.0 109.171 . . . . . . . . . 0 0 . 1 . 024 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 79.8 m-20 -77.06 141.46 40.26 Favored 'General case' 0 C--N 1.311 -1.108 0 O-C-N 123.581 0.55 . . . . 0.0 109.835 176.856 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 30.7 m -65.01 -28.56 45.05 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.836 0 N-CA-C 112.812 0.671 . . . . 0.0 112.812 -176.118 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 14.3 t -66.19 -31.59 72.52 Favored 'General case' 0 CA--C 1.549 0.913 0 CA-C-O 121.164 0.507 . . . . 0.0 110.056 178.433 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 34.7 mmtp -78.43 -34.56 47.8 Favored 'General case' 0 CA--C 1.51 -0.565 0 CA-C-O 121.223 0.535 . . . . 0.0 109.79 179.973 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 31.9 tp -69.25 -39.94 78.15 Favored 'General case' 0 C--N 1.316 -0.864 0 N-CA-C 108.854 -0.795 . . . . 0.0 108.854 177.38 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 54.8 t30 -66.02 -37.09 85.02 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.68 -0.691 . . . . 0.0 110.124 177.352 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 13.6 t70 -59.45 -39.89 85.07 Favored 'General case' 0 N--CA 1.474 0.755 0 CA-C-O 121.209 0.528 . . . . 0.0 109.744 175.948 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 9' ' ' ARG . . . . . 0.585 ' O ' ' HG2' ' A' ' 13' ' ' LYS . 81.3 mtp180 -64.32 -38.51 91.3 Favored 'General case' 0 C--O 1.215 -0.732 0 CA-C-N 115.582 -0.736 . . . . 0.0 110.551 176.966 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 77.5 mt -61.29 -45.18 99.12 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.643 0 CA-C-O 121.435 0.636 . . . . 0.0 109.378 176.081 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 35.9 tt0 -62.36 -39.1 92.05 Favored 'General case' 0 C--N 1.313 -1.015 0 CA-C-N 115.234 -0.894 . . . . 0.0 109.726 178.81 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -66.21 -26.75 67.53 Favored 'General case' 0 C--N 1.31 -1.148 0 CA-C-N 115.397 -0.82 . . . . 0.0 110.976 177.252 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.585 ' HG2' ' O ' ' A' ' 9' ' ' ARG . 74.4 mmtt -77.06 -33.86 57.13 Favored 'General case' 0 CA--C 1.504 -0.817 0 N-CA-C 108.901 -0.777 . . . . 0.0 108.901 178.207 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 72.0 mmtt -57.84 -53.77 54.41 Favored 'General case' 0 CA--C 1.513 -0.443 0 N-CA-C 108.377 -0.971 . . . . 0.0 108.377 176.303 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 32.0 mmmt -64.33 -35.56 81.25 Favored 'General case' 0 C--N 1.313 -1.02 0 CA-C-N 114.164 -1.38 . . . . 0.0 111.931 -176.884 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.43 ' O ' ' HG ' ' A' ' 20' ' ' LEU . 4.1 tp10 -76.54 -47.38 22.86 Favored 'General case' 0 C--N 1.309 -1.168 0 CA-C-N 116.274 -0.421 . . . . 0.0 109.953 -176.734 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.49 ' O ' HG23 ' A' ' 21' ' ' VAL . 50.4 tp -62.51 -50.26 72.09 Favored 'General case' 0 N--CA 1.443 -0.788 0 CA-C-N 115.732 -0.667 . . . . 0.0 111.462 -176.844 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.516 ' O ' ' HG3' ' A' ' 22' ' ' GLU . 74.2 mt -59.47 -42.96 89.5 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.187 0 O-C-N 123.3 0.375 . . . . 0.0 110.082 -178.798 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 77.3 t80 -57.92 -42.47 84.88 Favored 'General case' 0 C--O 1.246 0.871 0 C-N-CA 123.669 0.788 . . . . 0.0 110.482 179.526 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.43 ' HG ' ' O ' ' A' ' 16' ' ' GLU . 81.1 mt -74.42 -32.81 62.8 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.378 179.439 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.49 HG23 ' O ' ' A' ' 17' ' ' LEU . 92.7 t -66.28 -34.19 68.5 Favored 'Isoleucine or valine' 0 C--O 1.24 0.57 0 CA-C-O 121.005 0.431 . . . . 0.0 110.088 176.743 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.516 ' HG3' ' O ' ' A' ' 18' ' ' ILE . 34.6 mt-10 -68.6 -48.0 65.27 Favored 'General case' 0 C--N 1.318 -0.776 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.846 177.323 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 67.6 mttm -82.19 -47.9 11.94 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 114.029 1.122 . . . . 0.0 114.029 -175.912 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 95.9 m-85 -100.18 -45.03 5.76 Favored 'General case' 0 C--N 1.304 -1.385 0 CA-C-O 121.109 0.48 . . . . 0.0 110.497 -176.456 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 100.68 155.42 27.36 Favored Glycine 0 C--N 1.298 -1.537 0 CA-C-N 115.386 -0.825 . . . . 0.0 111.565 -177.138 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 49.8 t80 -83.22 81.02 8.88 Favored 'General case' 0 C--N 1.308 -1.207 0 N-CA-C 108.693 -0.854 . . . . 0.0 108.693 -179.036 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 27.7 m -133.79 -60.55 0.82 Allowed 'General case' 0 C--N 1.303 -1.417 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.351 -179.197 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 28' ' ' HIS . . . . . 0.432 ' CD2' ' HB3' ' A' ' 30' ' ' LYS . 3.1 p-80 -74.23 154.7 38.89 Favored 'General case' 0 C--O 1.254 1.294 0 C-N-CA 120.594 -0.442 . . . . 0.0 111.514 179.648 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 72.3 m80 -62.18 -22.48 65.93 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 114.543 1.312 . . . . 0.0 114.543 -173.156 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.432 ' HB3' ' CD2' ' A' ' 28' ' ' HIS . 24.6 ttpp -61.1 -47.56 85.74 Favored 'General case' 0 C--N 1.323 -0.546 0 C-N-CA 120.592 -0.443 . . . . 0.0 111.133 175.17 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 58.9 t -67.4 -35.57 73.94 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.626 0 N-CA-C 109.025 -0.731 . . . . 0.0 109.025 179.101 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 57.9 mt -64.18 -37.12 79.07 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.039 0 CA-C-N 115.566 -0.743 . . . . 0.0 110.766 178.352 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 88.0 p -64.13 -36.03 82.69 Favored 'General case' 0 C--N 1.341 0.236 0 O-C-N 122.24 -0.288 . . . . 0.0 111.37 179.906 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 34' ' ' PHE . . . . . 0.463 ' HB2' HD13 ' A' ' 17' ' ' LEU . 71.1 m-85 -63.76 -38.01 89.5 Favored 'General case' 0 CA--C 1.508 -0.654 0 C-N-CA 120.854 -0.338 . . . . 0.0 110.842 177.041 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 32.9 t -65.47 -40.69 93.46 Favored 'General case' 0 N--CA 1.44 -0.932 0 CA-C-N 116.124 -0.489 . . . . 0.0 109.834 179.032 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 45.4 mt-30 -69.81 -32.66 71.23 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.658 179.25 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 42.6 tt0 -72.26 -43.75 63.84 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.907 -0.588 . . . . 0.0 109.955 179.096 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.58 HD23 ' HB2' ' A' ' 13' ' ' LYS . 2.8 tm? -53.37 -51.6 61.96 Favored 'General case' 0 N--CA 1.473 0.718 0 C-N-CA 123.809 0.843 . . . . 0.0 108.739 175.199 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 17.7 t70 -60.09 -42.37 94.49 Favored 'General case' 0 C--N 1.311 -1.1 0 CA-C-N 114.259 -1.337 . . . . 0.0 111.686 179.265 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 32.8 ttt180 -72.15 -39.84 68.44 Favored 'General case' 0 C--N 1.314 -0.968 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.729 -175.902 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 10.8 mp -66.06 -32.85 74.55 Favored 'General case' 0 CA--C 1.515 -0.384 0 CA-C-O 120.771 0.319 . . . . 0.0 111.155 177.675 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 6.4 tt -67.18 -39.84 86.48 Favored 'General case' 0 C--N 1.319 -0.735 0 N-CA-C 108.25 -1.018 . . . . 0.0 108.25 176.845 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 18.9 m-80 -66.94 -23.43 65.96 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.658 -0.701 . . . . 0.0 112.55 177.808 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 87.7 mt -63.35 -39.05 93.47 Favored 'General case' 0 C--O 1.242 0.662 0 CA-C-O 120.562 0.22 . . . . 0.0 111.079 178.379 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 8.0 mp -68.98 -42.01 77.13 Favored 'General case' 0 CA--C 1.514 -0.42 0 N-CA-C 109.747 -0.464 . . . . 0.0 109.747 177.452 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 69.2 mt -59.16 -43.23 88.98 Favored 'Isoleucine or valine' 0 C--O 1.245 0.85 0 CA-C-N 115.595 -0.73 . . . . 0.0 109.621 178.668 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 47' ' ' GLU . . . . . 0.501 ' HG2' ' HD3' ' A' ' 51' ' ' LYS . 29.5 tt0 -61.77 -51.56 67.82 Favored 'General case' 0 N--CA 1.442 -0.841 0 CA-C-N 115.539 -0.755 . . . . 0.0 110.241 178.341 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 18.8 tp -61.13 -35.89 78.28 Favored 'General case' 0 C--O 1.24 0.567 0 N-CA-C 112.749 0.648 . . . . 0.0 112.749 -176.038 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 14.4 mmmm -72.46 -51.0 22.11 Favored 'General case' 0 C--N 1.315 -0.912 0 C-N-CA 120.671 -0.412 . . . . 0.0 111.06 178.573 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 12.2 m -70.28 -18.68 63.13 Favored 'General case' 0 CA--C 1.547 0.828 0 CA-C-N 115.984 -0.553 . . . . 0.0 111.55 -176.25 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 51' ' ' LYS . . . . . 0.501 ' HD3' ' HG2' ' A' ' 47' ' ' GLU . 5.7 tptm -56.78 -33.68 66.89 Favored 'General case' 0 C--N 1.341 0.222 0 C-N-CA 124.042 0.937 . . . . 0.0 109.866 -178.925 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 52' ' ' LYS . . . . . 0.467 ' C ' ' H ' ' A' ' 54' ' ' ARG . 61.7 pttt 53.53 -5.11 0.01 OUTLIER 'General case' 0 N--CA 1.504 2.263 0 C-N-CA 127.537 2.335 . . . . 0.0 116.609 176.754 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.63 34.42 0.22 Allowed 'General case' 0 C--N 1.303 -1.414 0 C-N-CA 124.678 1.191 . . . . 0.0 109.739 177.438 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 54' ' ' ARG . . . . . 0.467 ' H ' ' C ' ' A' ' 52' ' ' LYS . 38.5 mtp85 -94.87 116.12 28.32 Favored 'General case' 0 N--CA 1.407 -2.589 0 N-CA-C 107.782 -1.192 . . . . 0.0 107.782 -176.929 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 3.0 p90 -57.33 -20.45 28.84 Favored 'General case' 0 C--O 1.215 -0.722 0 N-CA-C 112.385 0.513 . . . . 0.0 112.385 178.334 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 56' ' ' SER . . . . . 0.491 ' O ' ' HB3' ' A' ' 60' ' ' HIS . 4.8 p -70.42 -25.23 63.12 Favored 'General case' 0 N--CA 1.428 -1.554 0 C-N-CA 123.588 0.755 . . . . 0.0 111.048 176.408 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 93.2 mt -84.86 -36.13 21.77 Favored 'General case' 0 CA--C 1.511 -0.55 0 N-CA-C 108.468 -0.938 . . . . 0.0 108.468 175.888 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 68.6 mt -75.12 -48.53 23.27 Favored 'General case' 0 C--N 1.31 -1.116 0 CA-C-N 114.447 -1.251 . . . . 0.0 111.747 -174.46 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -137.86 78.65 1.7 Allowed 'General case' 0 N--CA 1.423 -1.814 0 CA-C-O 122.123 0.963 . . . . 0.0 112.918 -179.064 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 60' ' ' HIS . . . . . 0.491 ' HB3' ' O ' ' A' ' 56' ' ' SER . 19.8 p80 -104.34 10.18 35.56 Favored 'General case' 0 C--N 1.312 -1.034 0 N-CA-C 107.665 -1.235 . . . . 0.0 107.665 173.35 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 60.7 t-80 -78.17 131.16 37.08 Favored 'General case' 0 N--CA 1.427 -1.599 0 CA-C-N 113.367 -1.742 . . . . 0.0 109.112 -175.993 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 56.7 m80 -83.66 86.59 7.1 Favored 'General case' 0 C--N 1.303 -1.416 0 CA-C-O 121.791 0.805 . . . . 0.0 110.812 178.187 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 1.3 p-80 -106.71 135.6 47.96 Favored 'General case' 0 C--N 1.293 -1.884 0 CA-C-N 114.346 -1.297 . . . . 0.0 109.562 177.463 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 48.8 m-70 . . . . . 0 N--CA 1.418 -2.046 0 N-CA-C 109.055 -0.72 . . . . 0.0 109.055 -177.138 . . . . . . . . 0 0 . 1 . 025 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 65.2 mtt . . . . . 0 N--CA 1.471 0.59 0 CA-C-O 120.496 0.189 . . . . 0.0 111.218 . . . . . . . . . 0 0 . 1 . 025 nuclear build full ' A' A ' 2' ' ' ASN . . . . . 0.614 ' O ' ' HG2' ' A' ' 5' ' ' LYS . 14.6 m120 -136.66 117.86 14.5 Favored 'General case' 0 CA--C 1.513 -0.48 0 N-CA-C 108.515 -0.92 . . . . 0.0 108.515 -175.292 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 27.8 m -57.95 -24.1 22.65 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.14 0 N-CA-C 113.144 0.794 . . . . 0.0 113.144 -176.492 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 14.1 t -63.09 -31.0 72.04 Favored 'General case' 0 N--CA 1.44 -0.974 0 CA-C-N 116.693 -0.231 . . . . 0.0 111.251 -179.964 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 5' ' ' LYS . . . . . 0.614 ' HG2' ' O ' ' A' ' 2' ' ' ASN . 0.0 OUTLIER -70.46 -27.46 64.25 Favored 'General case' 0 C--N 1.348 0.517 0 CA-C-O 121.203 0.525 . . . . 0.0 109.845 -179.06 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.587 ' O ' ' HG2' ' A' ' 9' ' ' ARG . 47.9 tp -68.32 -46.35 70.49 Favored 'General case' 0 N--CA 1.437 -1.117 0 N-CA-C 109.346 -0.613 . . . . 0.0 109.346 178.443 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 52.0 t30 -67.59 -36.2 80.43 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-O 121.405 0.622 . . . . 0.0 109.475 178.482 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 9.5 t70 -55.3 -43.55 74.91 Favored 'General case' 0 C--O 1.244 0.786 0 CA-C-N 115.245 -0.889 . . . . 0.0 111.679 176.55 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 9' ' ' ARG . . . . . 0.587 ' HG2' ' O ' ' A' ' 6' ' ' LEU . 9.7 ptp180 -70.89 -29.47 65.56 Favored 'General case' 0 C--N 1.339 0.142 0 C-N-CA 120.237 -0.585 . . . . 0.0 110.059 -178.635 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.489 HG12 ' HB3' ' A' ' 41' ' ' LEU . 71.5 mt -70.1 -46.73 71.59 Favored 'Isoleucine or valine' 0 CA--C 1.505 -0.769 0 N-CA-C 109.163 -0.68 . . . . 0.0 109.163 179.273 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 27.3 tt0 -59.81 -38.92 83.31 Favored 'General case' 0 C--O 1.245 0.821 0 CA-C-O 121.451 0.643 . . . . 0.0 110.279 -179.163 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -72.37 -33.65 67.38 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 115.426 -0.806 . . . . 0.0 111.043 178.863 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 47.8 tptt -76.88 -39.38 51.23 Favored 'General case' 0 C--N 1.31 -1.136 0 C-N-CA 120.562 -0.455 . . . . 0.0 110.163 -177.788 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.483 ' HA ' HD11 ' A' ' 38' ' ' LEU . 18.1 ptmt -69.94 -32.03 70.09 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-N 116.409 -0.36 . . . . 0.0 111.747 -179.838 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 22.7 ptmt -70.78 -33.59 70.91 Favored 'General case' 0 N--CA 1.454 -0.255 0 C-N-CA 119.537 -0.865 . . . . 0.0 110.604 176.343 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 39.4 tt0 -65.64 -41.0 93.1 Favored 'General case' 0 C--O 1.239 0.519 0 CA-C-N 115.809 -0.632 . . . . 0.0 109.447 176.557 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.46 ' O ' HG23 ' A' ' 21' ' ' VAL . 61.5 tp -59.93 -52.36 65.74 Favored 'General case' 0 C--O 1.211 -0.93 0 CA-C-N 115.586 -0.734 . . . . 0.0 110.455 178.24 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.416 HG13 ' O ' ' A' ' 14' ' ' LYS . 91.2 mt -54.85 -43.79 69.33 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.968 0 C-N-CA 123.141 0.576 . . . . 0.0 110.883 -179.259 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 80.9 t80 -56.93 -49.0 76.97 Favored 'General case' 0 C--O 1.251 1.155 0 C-N-CA 124.05 0.94 . . . . 0.0 110.111 177.933 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 92.6 mt -72.86 -30.96 64.39 Favored 'General case' 0 C--N 1.314 -0.973 0 CA-C-N 115.352 -0.84 . . . . 0.0 111.372 -178.893 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.46 HG23 ' O ' ' A' ' 17' ' ' LEU . 52.4 t -59.09 -43.71 89.85 Favored 'Isoleucine or valine' 0 C--O 1.242 0.687 0 C-N-CA 122.754 0.421 . . . . 0.0 110.719 175.686 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 38.9 mt-10 -62.88 -42.63 99.84 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.441 -0.345 . . . . 0.0 110.548 179.27 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 66.2 mttm -82.73 -47.77 11.6 Favored 'General case' 0 C--N 1.316 -0.859 0 N-CA-C 114.193 1.183 . . . . 0.0 114.193 -175.382 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 99.1 m-85 -99.48 -26.47 14.1 Favored 'General case' 0 C--N 1.313 -0.983 0 N-CA-C 114.249 1.203 . . . . 0.0 114.249 -171.177 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 25' ' ' GLY . . . . . 0.432 ' O ' ' HA ' ' A' ' 21' ' ' VAL . . . 140.4 171.93 12.66 Favored Glycine 0 N--CA 1.434 -1.451 0 C-N-CA 119.041 -1.552 . . . . 0.0 112.849 178.119 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 79.5 m-85 -86.58 -23.46 25.77 Favored 'General case' 0 C--N 1.306 -1.317 0 CA-C-O 121.186 0.517 . . . . 0.0 109.91 -177.643 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 5.9 t -150.43 103.44 3.14 Favored 'General case' 0 N--CA 1.411 -2.406 0 CA-C-O 122.333 1.064 . . . . 0.0 108.601 179.921 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 83.8 t60 -148.05 158.5 44.1 Favored 'General case' 0 C--N 1.289 -2.065 0 N-CA-C 106.704 -1.591 . . . . 0.0 106.704 -179.026 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 98.1 m-70 -48.21 -50.21 30.11 Favored 'General case' 0 N--CA 1.49 1.571 0 C-N-CA 123.688 0.795 . . . . 0.0 112.187 -177.09 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 48.5 mmtm -57.68 -55.52 33.77 Favored 'General case' 0 N--CA 1.466 0.37 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.101 177.772 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 96.5 t -54.97 -47.77 76.17 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.65 0 CA-C-N 114.777 -1.101 . . . . 0.0 111.535 -176.923 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 81.0 mt -61.8 -41.58 91.19 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 C-N-CA 122.314 0.246 . . . . 0.0 110.74 -179.64 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 45.0 m -61.72 -37.59 84.77 Favored 'General case' 0 CA--C 1.551 0.995 0 CA-C-O 121.199 0.523 . . . . 0.0 111.236 -179.716 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 34' ' ' PHE . . . . . 0.455 ' HB2' HD13 ' A' ' 17' ' ' LEU . 45.3 m-85 -76.91 -31.88 57.02 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.891 0.377 . . . . 0.0 110.621 178.348 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 43.3 m -67.92 -42.26 81.35 Favored 'General case' 0 C--N 1.318 -0.785 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.512 179.766 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 13.5 mm-40 -66.78 -28.65 68.56 Favored 'General case' 0 C--O 1.239 0.532 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.465 178.954 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 37' ' ' GLU . . . . . 0.566 ' O ' ' HG ' ' A' ' 41' ' ' LEU . 7.4 tp10 -67.45 -43.89 80.0 Favored 'General case' 0 N--CA 1.433 -1.312 0 N-CA-C 108.329 -0.989 . . . . 0.0 108.329 177.028 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.483 HD11 ' HA ' ' A' ' 14' ' ' LYS . 63.7 mt -62.64 -41.83 99.26 Favored 'General case' 0 CA--C 1.495 -1.136 0 CA-C-N 115.966 -0.561 . . . . 0.0 111.591 177.531 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 17.2 t70 -57.82 -43.16 85.55 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-O 121.503 0.668 . . . . 0.0 109.363 178.108 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 40' ' ' ARG . . . . . 0.429 ' HD3' ' OE2' ' A' ' 37' ' ' GLU . 42.8 ttt180 -65.9 -47.01 76.23 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 114.531 -1.213 . . . . 0.0 110.831 178.391 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.566 ' HG ' ' O ' ' A' ' 37' ' ' GLU . 80.5 mt -66.7 -41.03 88.66 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 120.774 0.321 . . . . 0.0 110.857 -179.013 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 49.4 tp -60.46 -34.28 73.79 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 121.286 0.565 . . . . 0.0 109.93 175.167 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 8.8 t-20 -68.5 -27.59 66.26 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-N 115.652 -0.703 . . . . 0.0 109.933 -178.702 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 84.4 mt -67.55 -31.55 71.71 Favored 'General case' 0 C--N 1.315 -0.92 0 CA-C-N 115.786 -0.643 . . . . 0.0 109.737 177.329 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 87.1 mt -71.8 -32.65 67.83 Favored 'General case' 0 C--O 1.237 0.396 0 N-CA-C 109.047 -0.723 . . . . 0.0 109.047 174.359 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 75.4 mt -67.36 -26.21 35.42 Favored 'Isoleucine or valine' 0 C--O 1.243 0.748 0 CA-C-N 115.65 -0.705 . . . . 0.0 109.734 176.897 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 7.5 tp10 -63.56 -42.04 98.37 Favored 'General case' 0 C--N 1.316 -0.869 0 N-CA-C 108.765 -0.828 . . . . 0.0 108.765 175.632 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -64.39 -36.95 85.81 Favored 'General case' 0 N--CA 1.47 0.539 0 CA-C-O 120.955 0.407 . . . . 0.0 110.211 175.633 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 65.7 mttm -63.09 -34.41 77.54 Favored 'General case' 0 N--CA 1.468 0.45 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.399 176.204 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 56.8 m -73.11 -41.77 63.64 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.315 178.947 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 97.1 mttt -64.14 -31.6 72.86 Favored 'General case' 0 C--O 1.221 -0.412 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.149 178.192 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 52' ' ' LYS . . . . . 0.557 ' HB2' ' HG ' ' A' ' 57' ' ' LEU . 62.8 pttt 52.21 16.9 0.63 Allowed 'General case' 0 N--CA 1.495 1.822 0 C-N-CA 126.678 1.991 . . . . 0.0 114.213 172.809 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 12.4 ptmm? -92.84 -4.87 52.19 Favored 'General case' 0 C--N 1.293 -1.869 0 N-CA-C 112.606 0.595 . . . . 0.0 112.606 -175.497 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 48.4 mtm180 -77.12 160.72 28.8 Favored 'General case' 0 C--N 1.318 -0.794 0 C-N-CA 119.949 -0.7 . . . . 0.0 109.257 178.458 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 35.4 m-85 -64.12 -7.79 10.05 Favored 'General case' 0 N--CA 1.473 0.699 0 N-CA-C 113.748 1.018 . . . . 0.0 113.748 -173.309 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 15.4 m -69.01 -19.82 64.13 Favored 'General case' 0 C--N 1.308 -1.207 0 CA-C-O 120.853 0.359 . . . . 0.0 111.107 177.86 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.557 ' HG ' ' HB2' ' A' ' 52' ' ' LYS . 3.8 mm? -92.4 8.79 36.99 Favored 'General case' 0 C--N 1.319 -0.73 0 N-CA-C 112.896 0.702 . . . . 0.0 112.896 -177.494 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 95.7 mt -67.99 -25.53 65.47 Favored 'General case' 0 CA--C 1.514 -0.434 0 N-CA-C 107.623 -1.251 . . . . 0.0 107.623 171.93 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 -116.45 104.24 11.25 Favored 'General case' 0 N--CA 1.41 -2.43 0 CA-C-N 113.774 -1.557 . . . . 0.0 107.479 173.691 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 69.7 m-70 -73.53 168.38 19.4 Favored 'General case' 0 C--N 1.3 -1.566 0 CA-C-N 115.355 -0.838 . . . . 0.0 111.892 -174.376 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 90.0 m-70 -77.11 168.87 19.35 Favored 'General case' 0 C--N 1.301 -1.527 0 CA-C-N 115.595 -0.729 . . . . 0.0 109.156 178.248 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 29.7 t-80 -71.7 -28.02 63.42 Favored 'General case' 0 C--N 1.317 -0.838 0 N-CA-C 108.552 -0.907 . . . . 0.0 108.552 179.984 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 42.5 m80 -79.9 80.99 6.24 Favored 'General case' 0 C--O 1.248 1.006 0 N-CA-C 109.047 -0.723 . . . . 0.0 109.047 173.058 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 58.2 t-80 . . . . . 0 C--N 1.303 -1.442 0 N-CA-C 108.005 -1.109 . . . . 0.0 108.005 -179.024 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 35.0 m . . . . . 0 CA--C 1.537 0.455 0 N-CA-C 114.177 1.177 . . . . 0.0 114.177 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 2.6 t -77.66 -27.2 50.88 Favored 'General case' 0 C--O 1.235 0.325 0 C-N-CA 118.502 -1.279 . . . . 0.0 109.301 -178.114 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . 0.538 ' O ' ' HD3' ' A' ' 9' ' ' ARG . 35.8 mmtp -69.38 -41.12 76.94 Favored 'General case' 0 N--CA 1.452 -0.354 0 N-CA-C 108.454 -0.943 . . . . 0.0 108.454 174.074 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.542 ' O ' HG13 ' A' ' 10' ' ' ILE . 46.9 tp -59.17 -50.48 73.89 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.503 -0.772 . . . . 0.0 109.14 177.227 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 26.6 t-20 -54.98 -39.94 69.52 Favored 'General case' 0 N--CA 1.474 0.751 0 CA-C-N 115.584 -0.734 . . . . 0.0 110.909 178.174 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 19.2 t70 -65.39 -47.23 77.05 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.324 -0.853 . . . . 0.0 111.545 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . 0.538 ' HD3' ' O ' ' A' ' 5' ' ' LYS . 7.6 mpt_? -63.5 -28.28 69.84 Favored 'General case' 0 C--N 1.316 -0.867 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.635 178.199 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.542 HG13 ' O ' ' A' ' 6' ' ' LEU . 74.3 mt -71.1 -45.73 70.42 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.746 0 N-CA-C 108.524 -0.917 . . . . 0.0 108.524 174.406 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . 0.423 ' HA ' ' HD2' ' A' ' 14' ' ' LYS . 41.7 tt0 -57.99 -47.06 84.11 Favored 'General case' 0 C--N 1.322 -0.63 0 C-N-CA 124.207 1.003 . . . . 0.0 110.657 -178.913 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -65.4 -33.46 76.01 Favored 'General case' 0 C--N 1.313 -0.987 0 CA-C-N 115.442 -0.799 . . . . 0.0 111.245 178.752 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 3.5 tppp? -76.13 -37.01 58.55 Favored 'General case' 0 N--CA 1.446 -0.649 0 N-CA-C 109.285 -0.635 . . . . 0.0 109.285 -176.814 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.574 ' O ' HG13 ' A' ' 18' ' ' ILE . 94.3 mttt -53.08 -52.75 57.59 Favored 'General case' 0 N--CA 1.464 0.274 0 O-C-N 123.366 0.416 . . . . 0.0 110.108 171.006 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 32.1 mmmt -62.27 -40.59 96.73 Favored 'General case' 0 C--O 1.245 0.841 0 CA-C-N 115.893 -0.594 . . . . 0.0 111.917 -178.775 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . 0.449 ' O ' ' HG ' ' A' ' 20' ' ' LEU . 39.6 tt0 -63.7 -43.87 95.34 Favored 'General case' 0 C--N 1.316 -0.876 0 CA-C-N 115.92 -0.582 . . . . 0.0 109.688 178.083 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.516 ' O ' HG23 ' A' ' 21' ' ' VAL . 2.0 tm? -60.48 -46.03 91.6 Favored 'General case' 0 CA--C 1.538 0.502 0 CA-C-N 115.447 -0.797 . . . . 0.0 109.303 179.922 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.574 HG13 ' O ' ' A' ' 14' ' ' LYS . 71.3 mt -56.32 -44.37 79.58 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.164 0 CA-C-O 121.274 0.559 . . . . 0.0 110.444 179.122 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 84.6 t80 -61.82 -39.78 92.98 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-N 115.473 -0.785 . . . . 0.0 110.41 -179.911 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.449 ' HG ' ' O ' ' A' ' 16' ' ' GLU . 88.3 mt -71.94 -31.33 66.22 Favored 'General case' 0 C--N 1.31 -1.122 0 CA-C-N 115.651 -0.704 . . . . 0.0 111.567 -179.154 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.516 HG23 ' O ' ' A' ' 17' ' ' LEU . 73.6 t -63.36 -36.04 74.61 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.56 0 N-CA-C 109.428 -0.582 . . . . 0.0 109.428 176.47 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . 0.409 ' HG2' ' O ' ' A' ' 18' ' ' ILE . 15.3 mm-40 -68.09 -43.63 78.07 Favored 'General case' 0 C--N 1.309 -1.185 0 CA-C-N 115.696 -0.684 . . . . 0.0 111.246 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 54.0 mttp -82.9 -38.58 22.68 Favored 'General case' 0 C--N 1.32 -0.706 0 N-CA-C 115.255 1.576 . . . . 0.0 115.255 -179.583 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 97.4 m-85 -107.26 -38.52 5.95 Favored 'General case' 0 C--N 1.309 -1.176 0 N-CA-C 112.972 0.73 . . . . 0.0 112.972 -174.107 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 106.59 154.39 20.36 Favored Glycine 0 C--N 1.299 -1.475 0 N-CA-C 109.714 -1.354 . . . . 0.0 109.714 -175.808 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 52.9 t80 -75.96 -16.57 59.98 Favored 'General case' 0 C--N 1.308 -1.238 0 CA-C-O 121.317 0.579 . . . . 0.0 111.338 -175.472 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 4.2 m -86.37 -1.67 57.74 Favored 'General case' 0 CA--C 1.553 1.084 0 CA-C-O 121.749 0.785 . . . . 0.0 110.067 -179.721 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 86.7 t60 -78.56 136.35 37.52 Favored 'General case' 0 N--CA 1.439 -0.992 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.353 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 28.7 m80 -49.2 -46.54 45.84 Favored 'General case' 0 N--CA 1.482 1.152 0 C-N-CA 124.898 1.279 . . . . 0.0 112.979 -175.178 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 68.2 mttm -65.29 -40.31 93.68 Favored 'General case' 0 C--O 1.215 -0.748 0 C-N-CA 121.066 -0.253 . . . . 0.0 111.023 -179.05 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 58.5 t -67.08 -38.52 81.39 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.021 0 N-CA-C 109.737 -0.468 . . . . 0.0 109.737 -179.337 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 74.7 mt -62.86 -49.69 82.66 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.646 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.011 176.035 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 10.3 p -64.84 -36.66 85.05 Favored 'General case' 0 CA--C 1.544 0.741 0 N-CA-C 112.611 0.597 . . . . 0.0 112.611 -179.409 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 25.2 m-85 -69.38 -32.62 71.77 Favored 'General case' 0 C--O 1.219 -0.539 0 C-N-CA 120.224 -0.59 . . . . 0.0 110.418 175.663 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 69.9 m -64.81 -36.96 86.01 Favored 'General case' 0 N--CA 1.45 -0.45 0 N-CA-C 110.338 -0.245 . . . . 0.0 110.338 176.219 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 92.4 mt-30 -66.74 -37.31 84.41 Favored 'General case' 0 N--CA 1.466 0.366 0 CA-C-O 121.571 0.701 . . . . 0.0 109.511 176.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 37.9 tt0 -68.76 -42.01 78.06 Favored 'General case' 0 C--N 1.317 -0.825 0 CA-C-N 115.239 -0.892 . . . . 0.0 110.092 179.242 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.447 HD11 ' HG3' ' A' ' 14' ' ' LYS . 32.3 tp -63.17 -41.52 99.25 Favored 'General case' 0 C--N 1.318 -0.802 0 N-CA-C 109.042 -0.725 . . . . 0.0 109.042 177.793 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 12.0 t70 -60.81 -40.25 91.98 Favored 'General case' 0 C--O 1.215 -0.752 0 CA-C-N 114.86 -1.063 . . . . 0.0 110.603 175.808 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 42.8 ttm180 -59.28 -46.55 88.24 Favored 'General case' 0 CA--C 1.537 0.448 0 C-N-CA 123.197 0.599 . . . . 0.0 111.35 179.174 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.488 ' HB3' HG12 ' A' ' 10' ' ' ILE . 9.5 mp -71.99 -34.03 68.59 Favored 'General case' 0 C--N 1.323 -0.585 0 C-N-CA 120.124 -0.63 . . . . 0.0 111.643 179.008 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 6.4 tt -64.76 -40.1 94.72 Favored 'General case' 0 C--N 1.32 -0.705 0 N-CA-C 108.096 -1.076 . . . . 0.0 108.096 177.149 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 27.4 t-20 -60.6 -38.8 85.84 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 114.883 -1.053 . . . . 0.0 110.754 176.61 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 76.1 mt -55.99 -40.74 73.79 Favored 'General case' 0 CA--C 1.513 -0.469 0 O-C-N 123.746 0.653 . . . . 0.0 111.572 178.463 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 90.5 mt -57.22 -48.54 78.56 Favored 'General case' 0 C--O 1.222 -0.364 0 N-CA-C 109.702 -0.481 . . . . 0.0 109.702 177.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 63.1 mt -69.44 -43.45 80.81 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.9 0 CA-C-N 115.481 -0.781 . . . . 0.0 110.576 -178.567 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 39.5 tt0 . . . . . 0 C--N 1.316 -0.852 0 CA-C-N 116.057 -0.519 . . . . 0.0 112.145 -176.829 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 34.4 m . . . . . 0 C--O 1.215 -0.713 0 N-CA-C 110.083 -0.339 . . . . 0.0 110.083 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 74.8 m -58.56 -54.73 43.8 Favored 'General case' 0 N--CA 1.431 -1.377 0 C-N-CA 123.926 0.89 . . . . 0.0 112.61 -175.628 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 92.1 mttt -70.39 -28.15 64.85 Favored 'General case' 0 C--N 1.302 -1.468 0 CA-C-N 115.976 -0.556 . . . . 0.0 111.408 -178.385 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 44.9 tp -69.52 -46.66 66.0 Favored 'General case' 0 C--N 1.318 -0.801 0 N-CA-C 108.711 -0.848 . . . . 0.0 108.711 176.123 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' ASN . . . . . 0.425 ' O ' ' HB ' ' A' ' 10' ' ' ILE . 7.8 t30 -60.3 -34.71 74.16 Favored 'General case' 0 N--CA 1.466 0.363 0 CA-C-N 115.448 -0.797 . . . . 0.0 109.747 178.151 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 27.3 t70 -60.24 -32.35 71.06 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 115.409 -0.814 . . . . 0.0 111.35 176.594 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 64.0 mtp180 -65.52 -42.23 92.23 Favored 'General case' 0 N--CA 1.471 0.625 0 N-CA-C 109.021 -0.733 . . . . 0.0 109.021 174.401 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.584 ' O ' ' HG2' ' A' ' 14' ' ' LYS . 1.7 mp -57.85 -49.34 81.36 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.209 0 CA-C-N 115.237 -0.892 . . . . 0.0 109.848 177.555 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . 0.591 ' O ' ' HG2' ' A' ' 15' ' ' LYS . 47.0 mt-10 -64.7 -29.52 70.52 Favored 'General case' 0 C--N 1.319 -0.752 0 N-CA-C 113.116 0.784 . . . . 0.0 113.116 -176.941 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -66.7 -34.41 77.79 Favored 'General case' 0 C--O 1.242 0.71 0 CA-C-O 121.677 0.751 . . . . 0.0 109.713 176.198 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.526 ' HB2' HD11 ' A' ' 38' ' ' LEU . 28.6 mtpp -76.95 -31.05 56.32 Favored 'General case' 0 N--CA 1.442 -0.863 0 N-CA-C 108.567 -0.901 . . . . 0.0 108.567 179.66 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.584 ' HG2' ' O ' ' A' ' 10' ' ' ILE . 31.6 mmmt -63.06 -38.75 92.43 Favored 'General case' 0 C--O 1.216 -0.709 0 CA-C-N 115.412 -0.813 . . . . 0.0 109.839 176.093 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . 0.591 ' HG2' ' O ' ' A' ' 11' ' ' GLU . 33.7 mmtp -65.24 -32.52 74.24 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 109.71 -0.478 . . . . 0.0 109.71 178.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . 0.495 ' O ' ' HG ' ' A' ' 20' ' ' LEU . 9.2 tp10 -74.06 -42.6 59.96 Favored 'General case' 0 N--CA 1.444 -0.731 0 N-CA-C 107.511 -1.292 . . . . 0.0 107.511 -179.02 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.417 ' O ' HG23 ' A' ' 21' ' ' VAL . 13.3 mt -56.49 -43.71 79.96 Favored 'General case' 0 C--O 1.212 -0.893 0 CA-C-N 114.771 -1.104 . . . . 0.0 112.224 175.872 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.488 HG13 ' O ' ' A' ' 14' ' ' LYS . 83.9 mt -56.09 -45.75 80.69 Favored 'Isoleucine or valine' 0 C--O 1.242 0.698 0 O-C-N 123.367 0.417 . . . . 0.0 110.075 177.244 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 76.0 t80 -61.86 -44.79 96.1 Favored 'General case' 0 CA--C 1.533 0.314 0 CA-C-N 115.831 -0.622 . . . . 0.0 109.993 176.652 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.495 ' HG ' ' O ' ' A' ' 16' ' ' GLU . 84.4 mt -62.95 -43.68 98.13 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.546 -179.407 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.417 HG23 ' O ' ' A' ' 17' ' ' LEU . 96.8 t -60.27 -41.46 87.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 CA-C-O 120.78 0.324 . . . . 0.0 110.363 176.556 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 49.0 mt-10 -68.65 -43.18 76.78 Favored 'General case' 0 C--N 1.309 -1.167 0 N-CA-C 112.485 0.55 . . . . 0.0 112.485 177.282 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 20.9 tptm -80.39 -45.76 17.16 Favored 'General case' 0 N--CA 1.42 -1.954 0 N-CA-C 113.303 0.853 . . . . 0.0 113.303 -172.949 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 87.5 m-85 -106.49 -34.86 7.26 Favored 'General case' 0 C--N 1.313 -1.0 0 CA-C-O 120.985 0.421 . . . . 0.0 111.034 -175.852 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 118.05 161.49 11.97 Favored Glycine 0 C--N 1.299 -1.479 0 N-CA-C 111.326 -0.71 . . . . 0.0 111.326 -179.259 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 52.8 p90 -74.71 -36.81 62.7 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 117.525 0.663 . . . . 0.0 110.249 179.187 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 8.4 t -94.07 71.66 3.98 Favored 'General case' 0 N--CA 1.424 -1.76 0 CA-C-O 123.329 1.538 . . . . 0.0 108.96 178.584 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' HIS . . . . . 0.415 ' O ' HG13 ' A' ' 32' ' ' ILE . 36.7 t60 -137.96 130.74 29.78 Favored 'General case' 0 C--N 1.294 -1.841 0 N-CA-C 105.862 -1.903 . . . . 0.0 105.862 178.738 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 12.5 t-80 -53.03 -45.35 67.97 Favored 'General case' 0 C--N 1.318 -0.796 0 N-CA-C 113.47 0.915 . . . . 0.0 113.47 -171.334 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 33.5 mmtp -66.05 -34.96 79.26 Favored 'General case' 0 C--N 1.32 -0.695 0 C-N-CA 120.333 -0.547 . . . . 0.0 112.203 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 63.6 t -67.34 -39.66 83.22 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.917 0 N-CA-C 108.794 -0.817 . . . . 0.0 108.794 178.153 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.415 HG13 ' O ' ' A' ' 28' ' ' HIS . 70.6 mt -62.58 -42.4 95.78 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.684 0 CA-C-N 115.527 -0.76 . . . . 0.0 109.902 176.737 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 65.8 p -65.81 -33.22 75.34 Favored 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 120.511 -0.476 . . . . 0.0 111.56 178.315 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 44.4 m-85 -70.05 -33.64 72.21 Favored 'General case' 0 C--O 1.213 -0.832 0 C-N-CA 120.69 -0.404 . . . . 0.0 110.556 175.894 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 22.9 t -60.91 -41.07 95.41 Favored 'General case' 0 C--N 1.322 -0.614 0 N-CA-C 109.093 -0.706 . . . . 0.0 109.093 177.618 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . 0.484 ' O ' ' HB3' ' A' ' 39' ' ' ASP . 73.4 mt-30 -67.62 -32.67 73.54 Favored 'General case' 0 N--CA 1.462 0.173 0 CA-C-O 121.309 0.576 . . . . 0.0 110.13 178.537 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 33.8 tt0 -71.32 -45.22 63.53 Favored 'General case' 0 C--N 1.314 -0.947 0 CA-C-N 115.909 -0.587 . . . . 0.0 109.739 178.041 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.526 HD11 ' HB2' ' A' ' 13' ' ' LYS . 4.2 mm? -59.74 -32.62 70.73 Favored 'General case' 0 CA--C 1.508 -0.64 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.98 176.453 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . 0.484 ' HB3' ' O ' ' A' ' 36' ' ' GLN . 8.3 t70 -57.81 -48.13 80.63 Favored 'General case' 0 C--N 1.317 -0.826 0 O-C-N 123.901 0.751 . . . . 0.0 109.561 175.647 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 18.2 mmt180 -70.39 -41.12 73.43 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.489 -0.778 . . . . 0.0 111.431 -177.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -61.68 -44.45 96.92 Favored 'General case' 0 N--CA 1.467 0.41 0 O-C-N 123.41 0.444 . . . . 0.0 110.775 176.16 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 60.0 tp -65.14 -32.36 74.01 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.338 0.589 . . . . 0.0 110.191 179.026 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 3.6 t-20 -70.57 -23.22 62.55 Favored 'General case' 0 N--CA 1.432 -1.359 0 CA-C-N 115.965 -0.561 . . . . 0.0 111.109 -178.132 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 96.1 mt -56.2 -47.21 78.81 Favored 'General case' 0 N--CA 1.471 0.623 0 O-C-N 123.082 0.239 . . . . 0.0 111.371 179.746 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.535 HD23 ' H ' ' A' ' 45' ' ' LEU . 0.7 OUTLIER -71.71 -33.98 69.21 Favored 'General case' 0 C--O 1.211 -0.922 0 C-N-CA 120.09 -0.644 . . . . 0.0 111.707 179.741 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 72.3 mt -65.69 -49.1 79.75 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.607 0 CA-C-O 121.33 0.586 . . . . 0.0 109.584 178.098 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 9.1 tp10 . . . . . 0 C--N 1.318 -0.793 0 C-N-CA 124.464 1.106 . . . . 0.0 110.354 -179.457 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 28.0 m . . . . . 0 C--O 1.235 0.304 0 CA-C-O 120.567 0.223 . . . . 0.0 110.793 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 11.1 t -64.19 -35.95 82.46 Favored 'General case' 0 N--CA 1.445 -0.715 0 N-CA-C 109.303 -0.628 . . . . 0.0 109.303 176.765 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . 0.433 ' O ' ' HG3' ' A' ' 9' ' ' ARG . 55.2 mttm -78.32 -27.33 47.14 Favored 'General case' 0 N--CA 1.437 -1.124 0 N-CA-C 112.933 0.716 . . . . 0.0 112.933 178.759 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 43.0 tp -66.48 -45.78 78.51 Favored 'General case' 0 C--N 1.313 -0.979 0 N-CA-C 108.331 -0.988 . . . . 0.0 108.331 175.033 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' ASN . . . . . 0.483 ' O ' ' HB ' ' A' ' 10' ' ' ILE . 0.2 OUTLIER -67.21 -31.93 72.65 Favored 'General case' 0 CA--C 1.539 0.538 0 N-CA-C 108.93 -0.767 . . . . 0.0 108.93 177.62 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 17.1 t70 -58.66 -37.96 77.12 Favored 'General case' 0 N--CA 1.479 1.016 0 C-N-CA 123.568 0.747 . . . . 0.0 110.558 176.037 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . 0.433 ' HG3' ' O ' ' A' ' 5' ' ' LYS . 97.2 mtt180 -65.79 -37.5 86.47 Favored 'General case' 0 CA--C 1.507 -0.684 0 CA-C-N 116.062 -0.517 . . . . 0.0 109.687 177.605 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.519 HG12 ' HB3' ' A' ' 41' ' ' LEU . 68.4 mt -60.26 -47.11 93.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 N-CA-C 108.756 -0.831 . . . . 0.0 108.756 176.292 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . 0.445 ' HG2' ' O ' ' A' ' 7' ' ' ASN . 38.5 mm-40 -58.48 -45.81 87.91 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.44 -0.8 . . . . 0.0 111.13 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -67.51 -30.53 70.23 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.983 179.004 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 18.6 tptm -76.6 -34.32 58.39 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 109.622 -0.51 . . . . 0.0 109.622 -178.702 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.547 ' O ' HG13 ' A' ' 18' ' ' ILE . 91.9 mttt -59.66 -49.21 78.63 Favored 'General case' 0 C--O 1.217 -0.656 0 CA-C-N 115.973 -0.558 . . . . 0.0 109.622 173.85 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . 0.453 ' HD3' HD12 ' A' ' 18' ' ' ILE . 75.0 mmtt -65.2 -32.49 74.2 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.356 -179.52 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . 0.558 ' O ' ' HG ' ' A' ' 20' ' ' LEU . 34.7 tt0 -69.89 -43.66 71.32 Favored 'General case' 0 C--N 1.32 -0.709 0 N-CA-C 107.36 -1.348 . . . . 0.0 107.36 -179.671 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.447 ' O ' HG23 ' A' ' 21' ' ' VAL . 11.5 mt -61.66 -41.28 97.32 Favored 'General case' 0 N--CA 1.439 -1.002 0 CA-C-N 114.566 -1.197 . . . . 0.0 112.487 176.37 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.547 HG13 ' O ' ' A' ' 14' ' ' LYS . 79.2 mt -56.95 -43.35 80.51 Favored 'Isoleucine or valine' 0 C--O 1.239 0.551 0 N-CA-C 109.995 -0.372 . . . . 0.0 109.995 177.171 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 79.7 t80 -64.98 -39.77 93.98 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.705 177.26 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.558 ' HG ' ' O ' ' A' ' 16' ' ' GLU . 84.9 mt -66.02 -38.71 89.14 Favored 'General case' 0 C--N 1.31 -1.12 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.827 178.766 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.447 HG23 ' O ' ' A' ' 17' ' ' LEU . 64.0 t -63.33 -32.39 56.31 Favored 'Isoleucine or valine' 0 CA--C 1.554 1.116 0 CA-C-O 121.302 0.573 . . . . 0.0 110.12 173.795 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 18.5 mm-40 -68.08 -52.46 34.85 Favored 'General case' 0 C--N 1.317 -0.809 0 O-C-N 121.864 -0.522 . . . . 0.0 110.972 175.338 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 34.7 mmtp -77.78 -47.55 18.71 Favored 'General case' 0 C--N 1.32 -0.717 0 N-CA-C 114.141 1.163 . . . . 0.0 114.141 -176.264 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 69.2 m-85 -100.79 -40.86 7.11 Favored 'General case' 0 C--N 1.301 -1.513 0 CA-C-O 120.982 0.42 . . . . 0.0 110.596 -175.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . 0.405 ' HA2' ' O ' ' A' ' 21' ' ' VAL . . . 106.86 -147.68 16.26 Favored Glycine 0 C--N 1.301 -1.38 0 N-CA-C 111.171 -0.772 . . . . 0.0 111.171 -179.371 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 38.1 p90 -124.58 177.4 5.96 Favored 'General case' 0 C--N 1.304 -1.376 0 N-CA-C 108.751 -0.833 . . . . 0.0 108.751 177.537 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 41.1 p 56.99 20.58 5.5 Favored 'General case' 0 N--CA 1.484 1.254 0 C-N-CA 124.904 1.281 . . . . 0.0 111.6 -173.699 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 39.4 t60 -104.84 132.56 50.93 Favored 'General case' 0 N--CA 1.429 -1.517 0 N-CA-C 107.465 -1.309 . . . . 0.0 107.465 -177.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 11.6 m170 -50.12 -45.48 52.91 Favored 'General case' 0 N--CA 1.488 1.453 0 N-CA-C 114.078 1.14 . . . . 0.0 114.078 -173.858 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 55.9 mttm -62.74 -49.46 74.94 Favored 'General case' 0 C--N 1.322 -0.619 0 N-CA-C 109.268 -0.641 . . . . 0.0 109.268 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 58.8 t -60.85 -44.55 97.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 115.348 -0.842 . . . . 0.0 110.817 -178.776 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 87.7 mt -57.76 -44.6 86.23 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.521 0 CA-C-O 121.107 0.48 . . . . 0.0 110.194 177.641 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . 0.456 ' O ' ' HG3' ' A' ' 37' ' ' GLU . 41.3 m -64.42 -39.17 93.32 Favored 'General case' 0 C--N 1.316 -0.848 0 CA-C-N 115.83 -0.623 . . . . 0.0 111.517 -179.799 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 42.2 m-85 -70.97 -36.05 72.39 Favored 'General case' 0 C--O 1.238 0.464 0 CA-C-O 120.948 0.404 . . . . 0.0 110.617 177.498 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 27.7 t -63.22 -40.94 98.89 Favored 'General case' 0 C--N 1.319 -0.749 0 C-N-CA 123.924 0.89 . . . . 0.0 110.415 -179.686 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 78.1 mt-30 -67.42 -31.56 71.84 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.463 -0.335 . . . . 0.0 111.314 178.201 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . 0.57 ' O ' ' HG ' ' A' ' 41' ' ' LEU . 50.0 mt-10 -67.12 -37.47 83.92 Favored 'General case' 0 C--O 1.214 -0.776 0 N-CA-C 109.515 -0.55 . . . . 0.0 109.515 176.552 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -60.58 -45.37 94.21 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 108.906 -0.776 . . . . 0.0 108.906 179.925 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 29.7 t70 -63.93 -39.48 94.26 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.903 -0.59 . . . . 0.0 110.911 177.262 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . 0.406 ' O ' ' HG ' ' A' ' 44' ' ' LEU . 30.1 tpt180 -63.99 -35.91 82.24 Favored 'General case' 0 CA--C 1.535 0.386 0 CA-C-N 116.504 -0.316 . . . . 0.0 110.652 175.808 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.57 ' HG ' ' O ' ' A' ' 37' ' ' GLU . 90.7 mt -63.54 -41.85 98.43 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 110.314 -0.254 . . . . 0.0 110.314 177.607 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -61.38 -41.71 97.55 Favored 'General case' 0 N--CA 1.475 0.814 0 CA-C-O 121.823 0.82 . . . . 0.0 109.924 174.264 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 22.2 m-80 -67.65 -17.42 64.59 Favored 'General case' 0 C--O 1.205 -1.288 0 CA-C-N 114.718 -1.128 . . . . 0.0 112.76 179.728 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.406 ' HG ' ' O ' ' A' ' 40' ' ' ARG . 88.6 mt -66.65 -42.37 86.75 Favored 'General case' 0 C--O 1.215 -0.715 0 N-CA-C 109.965 -0.383 . . . . 0.0 109.965 175.495 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -65.0 -37.72 88.58 Favored 'General case' 0 N--CA 1.47 0.555 0 CA-C-O 121.343 0.592 . . . . 0.0 109.426 177.41 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 74.2 mt -66.56 -41.37 88.29 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.695 0 CA-C-N 115.218 -0.901 . . . . 0.0 109.888 178.125 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 35.2 tt0 . . . . . 0 C--N 1.319 -0.728 0 CA-C-N 115.61 -0.723 . . . . 0.0 110.721 -178.705 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 26.9 m . . . . . 0 N--CA 1.464 0.237 0 N-CA-C 112.252 0.464 . . . . 0.0 112.252 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 8.8 t -62.61 -27.27 69.08 Favored 'General case' 0 C--N 1.318 -0.776 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.329 175.163 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 7.0 mtpm? -75.84 -28.73 58.34 Favored 'General case' 0 N--CA 1.445 -0.676 0 N-CA-C 109.7 -0.481 . . . . 0.0 109.7 -179.755 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.458 ' O ' HG13 ' A' ' 10' ' ' ILE . 2.0 tm? -70.13 -40.32 74.89 Favored 'General case' 0 N--CA 1.448 -0.539 0 N-CA-C 107.118 -1.438 . . . . 0.0 107.118 177.302 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 24.9 t-20 -60.48 -40.71 92.28 Favored 'General case' 0 C--O 1.244 0.782 0 CA-C-N 115.574 -0.739 . . . . 0.0 110.104 176.212 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 15.2 t70 -61.49 -40.47 94.7 Favored 'General case' 0 C--O 1.244 0.807 0 CA-C-N 115.28 -0.873 . . . . 0.0 110.967 176.096 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 73.2 mtp180 -62.65 -40.17 96.21 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.721 -0.672 . . . . 0.0 110.418 176.209 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.458 HG13 ' O ' ' A' ' 6' ' ' LEU . 71.2 mt -60.74 -46.61 95.71 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.339 0 N-CA-C 109.495 -0.558 . . . . 0.0 109.495 177.014 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 16.5 mm-40 -55.94 -44.79 78.74 Favored 'General case' 0 N--CA 1.469 0.49 0 O-C-N 123.264 0.352 . . . . 0.0 111.295 177.369 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -63.34 -37.64 88.07 Favored 'General case' 0 C--O 1.242 0.667 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.723 -179.791 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 50.9 tptt -72.61 -36.33 68.07 Favored 'General case' 0 N--CA 1.449 -0.483 0 CA-C-N 115.931 -0.577 . . . . 0.0 109.581 -178.601 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.416 ' HG2' HD11 ' A' ' 38' ' ' LEU . 9.3 mtpm? -62.26 -48.02 81.75 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.743 -0.662 . . . . 0.0 110.654 176.908 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 30.0 mtpp -59.28 -39.84 84.18 Favored 'General case' 0 C--O 1.25 1.108 0 CA-C-O 121.32 0.581 . . . . 0.0 110.167 177.093 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . 0.497 ' O ' ' HG ' ' A' ' 20' ' ' LEU . 36.4 tt0 -66.48 -50.61 62.72 Favored 'General case' 0 N--CA 1.442 -0.843 0 CA-C-N 115.046 -0.979 . . . . 0.0 110.557 179.486 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.48 ' O ' HG23 ' A' ' 21' ' ' VAL . 52.7 tp -59.52 -41.31 89.7 Favored 'General case' 0 C--O 1.215 -0.718 0 CA-C-N 116.464 -0.335 . . . . 0.0 111.757 -177.753 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 79.1 mt -56.65 -43.1 78.21 Favored 'Isoleucine or valine' 0 C--O 1.238 0.484 0 CA-C-O 120.891 0.376 . . . . 0.0 110.018 176.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 85.5 t80 -67.26 -40.87 86.29 Favored 'General case' 0 CA--C 1.541 0.624 0 CA-C-N 115.767 -0.651 . . . . 0.0 110.688 178.03 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.51 HD13 ' CD2' ' A' ' 34' ' ' PHE . 85.1 mt -65.65 -37.4 86.42 Favored 'General case' 0 C--N 1.318 -0.773 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.514 -179.242 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.48 HG23 ' O ' ' A' ' 17' ' ' LEU . 87.6 t -64.04 -37.98 81.24 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.431 0 CA-C-O 121.247 0.546 . . . . 0.0 109.684 175.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 47.6 mm-40 -66.97 -40.34 87.41 Favored 'General case' 0 C--N 1.314 -0.973 0 CA-C-N 115.935 -0.575 . . . . 0.0 111.157 178.175 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 30.3 mmmt -82.26 -47.6 12.23 Favored 'General case' 0 C--N 1.31 -1.136 0 N-CA-C 113.564 0.95 . . . . 0.0 113.564 -175.922 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 90.3 m-85 -96.45 -39.03 9.78 Favored 'General case' 0 C--N 1.306 -1.307 0 CA-C-O 120.897 0.379 . . . . 0.0 111.967 -174.267 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 127.32 -169.45 19.16 Favored Glycine 0 N--CA 1.434 -1.435 0 N-CA-C 110.098 -1.201 . . . . 0.0 110.098 -177.414 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 38.6 p90 -113.22 -28.51 7.6 Favored 'General case' 0 C--N 1.309 -1.183 0 CA-C-N 117.424 0.612 . . . . 0.0 112.243 -179.314 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 12.6 p -89.94 -0.09 57.38 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.435 0.636 . . . . 0.0 111.252 178.753 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 23.1 t60 -66.66 127.01 30.77 Favored 'General case' 0 CA--C 1.538 0.5 0 N-CA-C 107.574 -1.269 . . . . 0.0 107.574 177.476 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 32.4 m170 -58.38 -39.51 79.8 Favored 'General case' 0 N--CA 1.477 0.925 0 N-CA-C 114.01 1.115 . . . . 0.0 114.01 -172.629 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 33.7 mmtp -65.79 -34.97 79.39 Favored 'General case' 0 C--O 1.214 -0.791 0 C-N-CA 120.775 -0.37 . . . . 0.0 111.507 177.724 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 94.5 t -66.24 -39.91 85.5 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.658 0 N-CA-C 109.588 -0.523 . . . . 0.0 109.588 178.231 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.432 ' O ' ' HG3' ' A' ' 36' ' ' GLN . 68.3 mt -64.45 -37.23 79.47 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.692 0 N-CA-C 109.084 -0.71 . . . . 0.0 109.084 175.87 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 29.2 t -65.97 -36.38 83.15 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.991 -0.549 . . . . 0.0 110.156 177.772 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . 0.51 ' CD2' HD13 ' A' ' 20' ' ' LEU . 20.8 m-85 -72.71 -30.46 64.21 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 121.034 0.445 . . . . 0.0 109.903 178.007 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 42.7 m -66.66 -37.98 85.91 Favored 'General case' 0 N--CA 1.446 -0.671 0 N-CA-C 109.002 -0.74 . . . . 0.0 109.002 175.263 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . 0.432 ' HG3' ' O ' ' A' ' 32' ' ' ILE . 79.2 mt-30 -63.12 -38.27 90.51 Favored 'General case' 0 C--O 1.223 -0.319 0 CA-C-N 115.722 -0.672 . . . . 0.0 109.647 175.596 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . 0.419 ' O ' ' HG ' ' A' ' 41' ' ' LEU . 25.7 mm-40 -64.48 -41.56 96.41 Favored 'General case' 0 C--O 1.219 -0.522 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.874 177.268 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.416 HD11 ' HG2' ' A' ' 14' ' ' LYS . 5.7 tt -59.45 -51.52 69.55 Favored 'General case' 0 C--O 1.237 0.411 0 N-CA-C 108.481 -0.933 . . . . 0.0 108.481 178.833 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 13.6 t70 -59.88 -40.25 88.06 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 115.204 -0.907 . . . . 0.0 111.167 178.326 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . 0.414 ' O ' ' HG ' ' A' ' 44' ' ' LEU . 38.1 ttm180 -64.12 -41.94 97.05 Favored 'General case' 0 C--N 1.311 -1.094 0 CA-C-N 115.561 -0.745 . . . . 0.0 111.092 179.425 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.419 ' HG ' ' O ' ' A' ' 37' ' ' GLU . 96.1 mt -66.35 -42.33 88.21 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.695 0.283 . . . . 0.0 110.398 177.263 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 63.1 tp -60.94 -42.52 98.34 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 121.137 0.494 . . . . 0.0 110.478 178.146 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 18.5 m-80 -68.38 -17.94 64.35 Favored 'General case' 0 C--N 1.314 -0.973 0 N-CA-C 112.92 0.711 . . . . 0.0 112.92 -179.447 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.414 ' HG ' ' O ' ' A' ' 40' ' ' ARG . 93.5 mt -64.73 -38.94 92.69 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 109.425 -0.583 . . . . 0.0 109.425 175.673 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 99.1 mt -62.83 -47.72 82.19 Favored 'General case' 0 CA--C 1.516 -0.328 0 N-CA-C 109.211 -0.663 . . . . 0.0 109.211 176.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 1.8 mp -58.71 -46.8 90.39 Favored 'Isoleucine or valine' 0 C--O 1.239 0.525 0 CA-C-N 115.135 -0.939 . . . . 0.0 111.08 179.341 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 . . . . . 0 CA--C 1.507 -0.702 0 N-CA-C 112.593 0.59 . . . . 0.0 112.593 179.218 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 34.4 m . . . . . 0 CA--C 1.54 0.564 0 N-CA-C 113.167 0.802 . . . . 0.0 113.167 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 15.3 t -65.04 -26.82 68.42 Favored 'General case' 0 CA--C 1.542 0.661 0 CA-C-O 121.403 0.621 . . . . 0.0 109.858 177.504 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 75.4 mmtt -76.3 -28.01 56.81 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.765 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 35.8 tp -71.33 -38.16 71.7 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 107.768 -1.197 . . . . 0.0 107.768 175.792 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' ASN . . . . . 0.448 ' HA ' HD12 ' A' ' 10' ' ' ILE . 2.7 t-20 -67.81 -31.43 71.29 Favored 'General case' 0 CA--C 1.545 0.788 0 CA-C-N 115.158 -0.928 . . . . 0.0 109.632 176.031 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 18.6 t70 -67.68 -38.5 83.79 Favored 'General case' 0 N--CA 1.47 0.567 0 CA-C-N 115.738 -0.664 . . . . 0.0 110.006 176.204 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 36.7 mmt180 -59.08 -38.79 80.32 Favored 'General case' 0 N--CA 1.472 0.667 0 CA-C-N 116.142 -0.481 . . . . 0.0 109.996 175.558 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.594 ' O ' ' HG3' ' A' ' 14' ' ' LYS . 80.5 mt -62.54 -50.55 79.36 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.496 0 CA-C-N 115.35 -0.841 . . . . 0.0 109.122 176.639 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . 0.531 ' O ' ' HG2' ' A' ' 15' ' ' LYS . 42.3 tt0 -54.11 -50.17 67.49 Favored 'General case' 0 CA--C 1.512 -0.513 0 O-C-N 123.814 0.696 . . . . 0.0 111.292 -178.408 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -59.02 -35.09 72.69 Favored 'General case' 0 C--N 1.318 -0.781 0 CA-C-N 115.632 -0.713 . . . . 0.0 111.159 179.82 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.419 ' O ' ' HB3' ' A' ' 16' ' ' GLU . 23.8 ttmm -77.64 -30.7 52.33 Favored 'General case' 0 N--CA 1.441 -0.882 0 CA-C-N 116.055 -0.52 . . . . 0.0 111.158 -179.31 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.594 ' HG3' ' O ' ' A' ' 10' ' ' ILE . 56.1 mtpt -62.42 -42.64 99.59 Favored 'General case' 0 C--N 1.32 -0.701 0 N-CA-C 109.395 -0.594 . . . . 0.0 109.395 176.638 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . 0.531 ' HG2' ' O ' ' A' ' 11' ' ' GLU . 27.7 mmmt -65.29 -41.98 93.56 Favored 'General case' 0 C--O 1.246 0.896 0 N-CA-C 108.559 -0.904 . . . . 0.0 108.559 179.473 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . 0.419 ' HB3' ' O ' ' A' ' 13' ' ' LYS . 36.4 tt0 -57.82 -50.78 72.13 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 113.744 -1.571 . . . . 0.0 110.484 178.32 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.537 ' O ' HG23 ' A' ' 21' ' ' VAL . 51.9 tp -60.3 -41.14 92.82 Favored 'General case' 0 N--CA 1.444 -0.764 0 CA-C-N 115.988 -0.551 . . . . 0.0 111.496 -179.07 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.522 ' O ' ' HG2' ' A' ' 22' ' ' GLU . 71.1 mt -59.43 -46.67 92.53 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.524 0 N-CA-C 109.61 -0.515 . . . . 0.0 109.61 177.826 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 62.1 t80 -57.16 -45.4 83.66 Favored 'General case' 0 C--O 1.242 0.676 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.592 177.93 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 90.4 mt -67.43 -34.74 77.84 Favored 'General case' 0 C--N 1.31 -1.131 0 CA-C-N 115.273 -0.876 . . . . 0.0 112.541 -178.345 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.537 HG23 ' O ' ' A' ' 17' ' ' LEU . 89.8 t -67.12 -39.21 82.69 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.51 0 N-CA-C 109.537 -0.542 . . . . 0.0 109.537 177.119 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . 0.522 ' HG2' ' O ' ' A' ' 18' ' ' ILE . 33.1 mm-40 -62.24 -38.69 90.22 Favored 'General case' 0 C--N 1.316 -0.867 0 CA-C-N 115.877 -0.602 . . . . 0.0 110.548 177.876 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 73.8 mmtt -78.49 -47.52 17.22 Favored 'General case' 0 C--N 1.32 -0.687 0 N-CA-C 113.126 0.787 . . . . 0.0 113.126 -178.18 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . 0.468 ' HB3' ' CD2' ' A' ' 28' ' ' HIS . 65.5 m-85 -89.02 -39.15 13.88 Favored 'General case' 0 C--N 1.307 -1.276 0 N-CA-C 114.065 1.135 . . . . 0.0 114.065 -175.187 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 129.04 156.23 8.83 Favored Glycine 0 C--N 1.303 -1.265 0 C-N-CA 119.849 -1.167 . . . . 0.0 111.306 -177.794 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 81.2 m-85 -65.77 123.24 19.21 Favored 'General case' 0 C--N 1.315 -0.893 0 CA-C-O 120.826 0.346 . . . . 0.0 111.397 179.181 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 15.1 m 62.48 24.87 14.82 Favored 'General case' 0 CA--C 1.564 1.498 0 CA-C-O 122.276 1.036 . . . . 0.0 111.403 176.375 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' HIS . . . . . 0.468 ' CD2' ' HB3' ' A' ' 24' ' ' TYR . 82.5 t60 -66.53 154.04 41.39 Favored 'General case' 0 CA--C 1.541 0.626 0 CA-C-N 115.787 -0.642 . . . . 0.0 109.857 176.406 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 60.6 t60 -48.38 -53.61 16.96 Favored 'General case' 0 CA--C 1.544 0.728 0 C-N-CA 124.924 1.29 . . . . 0.0 112.336 -177.713 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 75.5 mmtt -61.85 -38.28 87.64 Favored 'General case' 0 N--CA 1.468 0.45 0 CA-C-O 120.935 0.398 . . . . 0.0 110.274 179.541 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.401 ' HB ' ' O ' ' A' ' 28' ' ' HIS . 71.9 t -60.08 -43.3 92.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 CA-C-N 115.546 -0.752 . . . . 0.0 111.311 -179.28 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.5 ' O ' ' HG2' ' A' ' 36' ' ' GLN . 72.9 mt -61.47 -37.45 77.81 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.676 0 CA-C-O 121.092 0.472 . . . . 0.0 110.095 178.867 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 12.9 t -68.89 -38.46 79.65 Favored 'General case' 0 CA--C 1.547 0.859 0 CA-C-N 115.783 -0.644 . . . . 0.0 109.813 179.768 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 16.4 m-85 -69.7 -32.51 71.15 Favored 'General case' 0 N--CA 1.472 0.656 0 CA-C-O 121.323 0.582 . . . . 0.0 109.523 178.1 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 47.9 t -61.83 -37.88 86.1 Favored 'General case' 0 N--CA 1.445 -0.695 0 CA-C-N 115.342 -0.844 . . . . 0.0 109.427 177.502 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . 0.5 ' HG2' ' O ' ' A' ' 32' ' ' ILE . 81.0 mm-40 -66.85 -34.06 76.97 Favored 'General case' 0 C--O 1.219 -0.522 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.794 178.631 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 53.9 mt-10 -61.49 -48.12 82.54 Favored 'General case' 0 CA--C 1.518 -0.259 0 N-CA-C 109.625 -0.509 . . . . 0.0 109.625 176.534 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -64.37 -46.39 83.58 Favored 'General case' 0 C--O 1.239 0.541 0 CA-C-N 115.233 -0.894 . . . . 0.0 109.469 -178.475 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 12.9 t70 -56.38 -51.02 69.89 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.61 -0.723 . . . . 0.0 110.693 178.398 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . 0.487 ' HG2' ' O ' ' A' ' 36' ' ' GLN . 15.2 mmt180 -66.28 -33.28 75.39 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.212 -0.449 . . . . 0.0 112.077 -177.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -65.34 -41.67 93.68 Favored 'General case' 0 CA--C 1.542 0.642 0 CA-C-O 121.626 0.727 . . . . 0.0 109.072 177.949 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 6.5 tt -70.26 -35.05 73.53 Favored 'General case' 0 C--N 1.323 -0.579 0 N-CA-C 108.769 -0.826 . . . . 0.0 108.769 178.246 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -65.55 -31.44 72.49 Favored 'General case' 0 N--CA 1.469 0.515 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.256 176.133 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.479 ' HG ' ' O ' ' A' ' 40' ' ' ARG . 95.0 mt -63.18 -45.5 91.5 Favored 'General case' 0 C--O 1.212 -0.904 0 N-CA-C 109.145 -0.687 . . . . 0.0 109.145 175.707 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 39.5 tp -57.18 -40.32 77.12 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.363 -0.835 . . . . 0.0 110.647 -179.568 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 74.3 mt -72.83 -50.5 32.75 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.917 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.476 178.13 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 30.8 tt0 . . . . . 0 N--CA 1.462 0.128 0 CA-C-N 115.998 -0.546 . . . . 0.0 111.131 -174.472 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 33.8 m . . . . . 0 C--O 1.217 -0.621 0 N-CA-C 111.339 0.126 . . . . 0.0 111.339 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 10.5 t -61.37 -33.08 73.06 Favored 'General case' 0 CA--C 1.541 0.625 0 CA-C-O 121.14 0.495 . . . . 0.0 110.703 178.178 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . 0.502 ' O ' ' HG3' ' A' ' 9' ' ' ARG 0.262 57.7 mmtt -77.73 -27.09 50.42 Favored 'General case' 0 N--CA 1.436 -1.163 0 N-CA-C 112.457 0.54 . . . . 0.0 112.457 176.467 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.44 ' O ' HG13 ' A' ' 10' ' ' ILE . 32.8 tp -68.38 -43.12 78.06 Favored 'General case' 0 C--N 1.321 -0.65 0 N-CA-C 108.033 -1.099 . . . . 0.0 108.033 172.833 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 11.1 m120 -57.02 -42.85 81.15 Favored 'General case' 0 N--CA 1.478 0.934 0 CA-C-O 121.616 0.722 . . . . 0.0 109.602 174.213 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . 0.459 ' HB3' ' O ' ' A' ' 5' ' ' LYS . 10.2 t70 -56.5 -41.99 77.61 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 114.605 -1.179 . . . . 0.0 110.892 177.702 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . 0.502 ' HG3' ' O ' ' A' ' 5' ' ' LYS . 82.9 mtp180 -64.99 -41.44 95.4 Favored 'General case' 0 N--CA 1.467 0.391 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.061 179.332 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.525 ' O ' ' HG3' ' A' ' 14' ' ' LYS . 65.6 mt -60.36 -42.16 89.87 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-N 115.611 -0.722 . . . . 0.0 109.441 178.855 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 13.8 tp10 -59.34 -42.97 92.75 Favored 'General case' 0 C--O 1.243 0.743 0 CA-C-N 115.116 -0.947 . . . . 0.0 111.331 -177.543 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -72.95 -26.9 61.54 Favored 'General case' 0 C--N 1.316 -0.888 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.66 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 14.1 mmmm -76.68 -31.28 57.17 Favored 'General case' 0 C--N 1.31 -1.116 0 C-N-CA 120.242 -0.583 . . . . 0.0 110.699 -179.584 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.525 ' HG3' ' O ' ' A' ' 10' ' ' ILE . 92.7 mttt -59.53 -53.38 58.8 Favored 'General case' 0 CA--C 1.517 -0.326 0 N-CA-C 108.87 -0.789 . . . . 0.0 108.87 175.07 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . 0.548 ' HD3' ' N ' ' A' ' 16' ' ' GLU . 0.0 OUTLIER -65.05 -33.93 77.21 Favored 'General case' 0 N--CA 1.449 -0.491 0 CA-C-N 115.49 -0.777 . . . . 0.0 112.268 -176.346 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . 0.548 ' N ' ' HD3' ' A' ' 15' ' ' LYS . 40.3 tt0 -69.18 -43.44 74.21 Favored 'General case' 0 N--CA 1.439 -0.983 0 N-CA-C 109.171 -0.677 . . . . 0.0 109.171 179.047 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.477 ' O ' HG23 ' A' ' 21' ' ' VAL . 3.4 tm? -59.53 -48.17 82.68 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.866 -0.606 . . . . 0.0 109.583 178.701 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.505 ' O ' ' HG2' ' A' ' 22' ' ' GLU . 86.9 mt -55.68 -49.32 74.93 Favored 'Isoleucine or valine' 0 C--O 1.238 0.484 0 O-C-N 123.495 0.497 . . . . 0.0 110.166 179.133 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 86.8 t80 -59.86 -40.21 87.84 Favored 'General case' 0 C--O 1.243 0.737 0 O-C-N 124.005 0.816 . . . . 0.0 111.019 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.493 ' HG ' ' O ' ' A' ' 16' ' ' GLU . 92.6 mt -71.0 -33.62 70.56 Favored 'General case' 0 C--N 1.314 -0.978 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.366 179.698 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.477 HG23 ' O ' ' A' ' 17' ' ' LEU . 81.3 t -68.26 -33.48 60.8 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.744 0 N-CA-C 109.821 -0.437 . . . . 0.0 109.821 175.716 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . 0.505 ' HG2' ' O ' ' A' ' 18' ' ' ILE . 23.6 mm-40 -62.15 -48.78 78.57 Favored 'General case' 0 C--N 1.318 -0.784 0 CA-C-O 121.437 0.637 . . . . 0.0 109.977 177.016 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 34.4 mmtp -82.69 -41.77 18.92 Favored 'General case' 0 C--N 1.317 -0.81 0 N-CA-C 114.175 1.176 . . . . 0.0 114.175 -175.252 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . 0.451 ' HB3' ' CE1' ' A' ' 28' ' ' HIS . 98.3 m-85 -99.0 -41.85 7.38 Favored 'General case' 0 C--N 1.298 -1.666 0 N-CA-C 112.193 0.442 . . . . 0.0 112.193 -175.893 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 97.57 136.73 9.28 Favored Glycine 0 C--N 1.303 -1.288 0 C-N-CA 120.774 -0.727 . . . . 0.0 111.622 -178.068 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 26.5 t80 -84.0 92.42 7.84 Favored 'General case' 0 N--CA 1.433 -1.283 0 N-CA-C 108.598 -0.89 . . . . 0.0 108.598 -178.418 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 7.4 t -159.68 -41.21 0.05 Allowed 'General case' 0 C--N 1.297 -1.707 0 CA-C-N 115.701 -0.682 . . . . 0.0 110.488 178.445 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' HIS . . . . . 0.451 ' CE1' ' HB3' ' A' ' 24' ' ' TYR . 3.0 p-80 -87.07 159.79 18.81 Favored 'General case' 0 C--O 1.25 1.127 0 C-N-CA 120.298 -0.561 . . . . 0.0 111.372 179.411 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 57.8 m80 -56.68 -39.51 73.92 Favored 'General case' 0 N--CA 1.475 0.793 0 C-N-CA 124.196 0.998 . . . . 0.0 113.098 -172.323 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.429 ' HB3' ' CD2' ' A' ' 28' ' ' HIS . 53.9 tttp -49.95 -49.88 48.59 Favored 'General case' 0 C--O 1.252 1.23 0 O-C-N 123.809 0.693 . . . . 0.0 111.652 -179.266 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.52 ' HA ' ' CD2' ' A' ' 34' ' ' PHE . 70.3 t -73.22 -39.6 56.45 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.587 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.221 -177.732 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 61.8 mt -64.03 -36.61 77.42 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.699 0 CA-C-O 121.215 0.531 . . . . 0.0 110.072 -179.462 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 49.4 m -65.16 -28.17 69.22 Favored 'General case' 0 N--CA 1.443 -0.803 0 CA-C-N 115.943 -0.571 . . . . 0.0 111.536 177.824 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . 0.52 ' CD2' ' HA ' ' A' ' 31' ' ' VAL . 24.1 m-85 -69.62 -38.29 77.18 Favored 'General case' 0 C--N 1.344 0.328 0 N-CA-C 109.682 -0.488 . . . . 0.0 109.682 177.264 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 29.2 m -63.66 -32.31 73.75 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-O 121.086 0.469 . . . . 0.0 110.763 177.932 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . 0.439 ' O ' ' HG2' ' A' ' 40' ' ' ARG . 78.8 mt-30 -64.95 -31.54 72.82 Favored 'General case' 0 N--CA 1.451 -0.4 0 CA-C-N 115.817 -0.629 . . . . 0.0 110.26 176.711 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . 0.487 ' O ' ' HG ' ' A' ' 41' ' ' LEU . 51.7 mt-10 -64.42 -45.16 88.76 Favored 'General case' 0 C--O 1.224 -0.247 0 N-CA-C 108.66 -0.867 . . . . 0.0 108.66 177.635 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -59.91 -40.95 90.59 Favored 'General case' 0 N--CA 1.475 0.788 0 CA-C-N 115.746 -0.661 . . . . 0.0 110.811 177.545 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 12.2 t70 -56.5 -45.03 81.23 Favored 'General case' 0 C--O 1.245 0.852 0 CA-C-N 115.28 -0.873 . . . . 0.0 110.545 177.442 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . 0.532 ' O ' ' HG ' ' A' ' 44' ' ' LEU . 14.7 mmm180 -73.05 -43.1 62.4 Favored 'General case' 0 N--CA 1.445 -0.688 0 CA-C-N 115.598 -0.728 . . . . 0.0 111.017 -178.321 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.496 ' HB3' HG12 ' A' ' 10' ' ' ILE . 92.9 mt -61.24 -42.81 99.27 Favored 'General case' 0 C--N 1.33 -0.27 0 O-C-N 123.092 0.245 . . . . 0.0 110.863 -179.544 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 58.4 tp -58.65 -43.08 89.67 Favored 'General case' 0 N--CA 1.464 0.252 0 CA-C-O 121.256 0.55 . . . . 0.0 110.236 175.38 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 3.2 t-20 -69.0 -32.88 72.75 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 115.767 -0.651 . . . . 0.0 110.719 -178.098 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.532 ' HG ' ' O ' ' A' ' 40' ' ' ARG . 81.1 mt -58.01 -33.11 68.59 Favored 'General case' 0 N--CA 1.471 0.622 0 N-CA-C 112.446 0.536 . . . . 0.0 112.446 -179.251 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 88.3 mt -60.6 -48.19 82.88 Favored 'General case' 0 N--CA 1.468 0.442 0 CA-C-O 121.749 0.785 . . . . 0.0 109.309 177.612 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 35.8 mt -69.38 -46.73 76.04 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.124 0 CA-C-N 114.416 -1.265 . . . . 0.0 109.018 -178.534 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 3.7 tm-20 . . . . . 0 C--N 1.312 -1.031 0 C-N-CA 124.466 1.107 . . . . 0.0 110.295 -177.604 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 33.1 m . . . . . 0 N--CA 1.471 0.584 0 N-CA-C 112.449 0.537 . . . . 0.0 112.449 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 10.3 t -55.71 -27.44 50.43 Favored 'General case' 0 CA--C 1.548 0.884 0 C-N-CA 123.466 0.706 . . . . 0.0 112.153 179.657 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . 0.544 ' O ' ' HG3' ' A' ' 9' ' ' ARG . 62.7 pttt -58.65 -34.58 71.37 Favored 'General case' 0 C--O 1.22 -0.497 0 CA-C-O 121.096 0.474 . . . . 0.0 110.32 -179.705 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.559 ' O ' HG13 ' A' ' 10' ' ' ILE . 42.0 tp -68.33 -45.73 72.11 Favored 'General case' 0 N--CA 1.44 -0.949 0 CA-C-N 115.806 -0.634 . . . . 0.0 109.652 -176.574 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 9.1 t30 -65.74 -35.12 79.82 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.513 -179.194 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . 0.452 ' O ' ' HB2' ' A' ' 11' ' ' GLU . 21.6 t70 -69.51 -36.73 76.72 Favored 'General case' 0 C--O 1.24 0.554 0 CA-C-N 115.857 -0.61 . . . . 0.0 110.38 179.319 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . 0.544 ' HG3' ' O ' ' A' ' 5' ' ' LYS . 71.7 mtp180 -70.21 -31.48 68.94 Favored 'General case' 0 C--N 1.325 -0.468 0 C-N-CA 120.776 -0.369 . . . . 0.0 110.523 177.942 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.559 HG13 ' O ' ' A' ' 6' ' ' LEU . 73.3 mt -63.22 -43.51 98.79 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.224 0 N-CA-C 109.144 -0.687 . . . . 0.0 109.144 175.463 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . 0.481 ' HA ' ' HE2' ' A' ' 14' ' ' LYS . 24.3 mm-40 -49.72 -48.6 49.88 Favored 'General case' 0 N--CA 1.483 1.216 0 C-N-CA 123.461 0.704 . . . . 0.0 110.623 176.027 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -69.28 -30.02 68.04 Favored 'General case' 0 C--N 1.307 -1.255 0 CA-C-N 115.154 -0.93 . . . . 0.0 112.029 -178.34 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 75.7 tttt -77.49 -30.71 53.18 Favored 'General case' 0 N--CA 1.445 -0.678 0 CA-C-O 121.651 0.738 . . . . 0.0 109.543 -171.694 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.504 ' O ' HG13 ' A' ' 18' ' ' ILE . 44.2 mtmt -71.18 -37.87 72.14 Favored 'General case' 0 C--N 1.306 -1.313 0 CA-C-N 114.813 -1.085 . . . . 0.0 110.075 178.155 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 51.7 mtpt -76.41 -30.04 57.3 Favored 'General case' 0 C--O 1.239 0.534 0 CA-C-O 121.114 0.483 . . . . 0.0 110.297 179.006 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 6.8 tp10 -63.39 -45.14 92.42 Favored 'General case' 0 C--N 1.319 -0.74 0 N-CA-C 107.637 -1.246 . . . . 0.0 107.637 175.077 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.491 ' O ' HG23 ' A' ' 21' ' ' VAL . 31.6 tp -65.42 -34.04 77.35 Favored 'General case' 0 N--CA 1.439 -0.989 0 CA-C-N 114.804 -1.089 . . . . 0.0 110.661 -179.375 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.504 HG13 ' O ' ' A' ' 14' ' ' LYS . 75.0 mt -58.19 -44.18 87.24 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.624 0 N-CA-C 109.539 -0.541 . . . . 0.0 109.539 175.145 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 91.5 t80 -61.68 -37.3 83.59 Favored 'General case' 0 CA--C 1.542 0.64 0 CA-C-O 121.551 0.691 . . . . 0.0 110.725 179.134 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.428 HD13 ' CD2' ' A' ' 34' ' ' PHE . 81.8 mt -71.24 -37.38 71.99 Favored 'General case' 0 C--N 1.305 -1.358 0 CA-C-N 115.624 -0.716 . . . . 0.0 111.086 179.087 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.491 HG23 ' O ' ' A' ' 17' ' ' LEU . 63.3 t -70.46 -34.69 58.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 N-CA-C 109.599 -0.519 . . . . 0.0 109.599 177.25 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 2.9 tm-20 -60.71 -52.87 63.26 Favored 'General case' 0 N--CA 1.418 -2.035 0 C-N-CA 124.12 0.968 . . . . 0.0 109.344 177.488 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 33.4 mmtm -82.92 -30.53 28.35 Favored 'General case' 0 C--N 1.318 -0.763 0 N-CA-C 116.626 2.084 . . . . 0.0 116.626 -177.002 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 36.7 m-85 -105.96 -48.6 3.58 Favored 'General case' 0 C--N 1.302 -1.459 0 C-N-CA 120.263 -0.575 . . . . 0.0 112.079 179.773 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 122.39 -173.06 15.87 Favored Glycine 0 C--N 1.291 -1.943 0 N-CA-C 109.392 -1.483 . . . . 0.0 109.392 -174.536 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 51.6 p90 -100.08 -12.4 19.71 Favored 'General case' 0 C--N 1.309 -1.168 0 CA-C-N 118.009 0.904 . . . . 0.0 111.635 -179.54 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 15.4 p -93.38 17.77 10.81 Favored 'General case' 0 C--N 1.313 -1.021 0 CA-C-O 121.154 0.502 . . . . 0.0 111.468 -178.805 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 15.7 t60 -101.22 130.9 47.41 Favored 'General case' 0 C--N 1.304 -1.404 0 N-CA-C 108.331 -0.988 . . . . 0.0 108.331 -177.312 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 52.0 t-80 -58.13 -38.97 77.55 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 112.95 0.722 . . . . 0.0 112.95 -175.012 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 90.4 mttt -56.86 -45.6 82.35 Favored 'General case' 0 N--CA 1.484 1.274 0 N-CA-C 109.406 -0.59 . . . . 0.0 109.406 178.643 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 99.5 t -58.84 -43.88 89.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 CA-C-N 115.364 -0.834 . . . . 0.0 110.432 -179.489 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 68.8 mt -66.18 -36.46 77.46 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.737 0 CA-C-N 116.005 -0.543 . . . . 0.0 109.993 178.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 46.7 t -65.77 -41.76 91.66 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.25 177.357 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . 0.428 ' CD2' HD13 ' A' ' 20' ' ' LEU . 68.0 m-85 -70.68 -36.63 73.42 Favored 'General case' 0 C--N 1.327 -0.377 0 C-N-CA 120.392 -0.523 . . . . 0.0 110.742 178.474 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 22.8 t -61.57 -47.01 87.45 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.277 -178.784 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 11.3 pt20 -68.05 -30.1 69.22 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 121.21 0.528 . . . . 0.0 111.444 179.618 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 35.4 mm-40 -72.92 -33.21 65.83 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.343 0.592 . . . . 0.0 110.134 177.111 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.425 HD11 ' HG2' ' A' ' 14' ' ' LYS . 5.8 tt -70.77 -42.25 70.66 Favored 'General case' 0 C--N 1.312 -1.063 0 N-CA-C 107.612 -1.255 . . . . 0.0 107.612 177.83 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 27.8 t70 -56.81 -45.98 81.91 Favored 'General case' 0 C--N 1.317 -0.845 0 CA-C-N 115.021 -0.99 . . . . 0.0 110.382 177.744 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 22.9 tpp180 -65.33 -35.4 80.89 Favored 'General case' 0 CA--C 1.543 0.683 0 CA-C-N 115.695 -0.684 . . . . 0.0 111.139 177.204 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 38.9 tp -66.61 -39.46 88.35 Favored 'General case' 0 N--CA 1.444 -0.743 0 N-CA-C 109.45 -0.574 . . . . 0.0 109.45 -179.245 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 57.4 tp -67.72 -35.13 78.2 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.536 -0.756 . . . . 0.0 110.398 178.107 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 13.3 m120 -58.28 -34.65 70.75 Favored 'General case' 0 N--CA 1.478 0.927 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.603 178.074 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 87.7 mt -57.18 -32.97 66.98 Favored 'General case' 0 C--O 1.22 -0.448 0 N-CA-C 113.0 0.741 . . . . 0.0 113.0 -177.351 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 94.1 mt -61.45 -43.1 99.46 Favored 'General case' 0 C--O 1.243 0.732 0 CA-C-O 121.454 0.645 . . . . 0.0 110.01 178.464 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.404 ' N ' HD12 ' A' ' 46' ' ' ILE . 2.9 mp -73.9 -49.03 36.5 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.146 0 CA-C-N 115.479 -0.782 . . . . 0.0 109.268 179.329 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 68.1 mm-40 . . . . . 0 C--N 1.314 -0.936 0 N-CA-C 113.895 1.072 . . . . 0.0 113.895 -175.464 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 33.3 m . . . . . 0 C--O 1.211 -0.94 0 N-CA-C 114.56 1.319 . . . . 0.0 114.56 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 8.9 t -54.96 -38.7 68.1 Favored 'General case' 0 CA--C 1.56 1.33 0 CA-C-O 121.151 0.501 . . . . 0.0 111.505 179.656 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 73.2 mmtt -79.01 -27.68 43.27 Favored 'General case' 0 C--O 1.24 0.583 0 CA-C-O 120.964 0.411 . . . . 0.0 111.795 179.351 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.483 ' O ' HG13 ' A' ' 10' ' ' ILE . 26.2 tp -72.95 -47.82 42.16 Favored 'General case' 0 C--N 1.314 -0.965 0 N-CA-C 108.224 -1.028 . . . . 0.0 108.224 178.754 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 13.6 m120 -58.18 -43.9 87.73 Favored 'General case' 0 N--CA 1.469 0.521 0 CA-C-N 115.455 -0.793 . . . . 0.0 111.236 177.194 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 21.0 t70 -55.59 -44.15 76.68 Favored 'General case' 0 N--CA 1.473 0.696 0 CA-C-N 115.833 -0.621 . . . . 0.0 111.857 178.949 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 59.0 mtm180 -68.64 -32.1 71.71 Favored 'General case' 0 C--N 1.317 -0.839 0 N-CA-C 112.459 0.541 . . . . 0.0 112.459 179.126 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.517 ' O ' ' HG3' ' A' ' 14' ' ' LYS . 60.6 mt -66.71 -45.86 87.14 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.581 0 N-CA-C 108.369 -0.974 . . . . 0.0 108.369 177.177 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 5.3 tp10 -57.98 -49.27 77.37 Favored 'General case' 0 C--O 1.256 1.438 0 CA-C-N 114.868 -1.06 . . . . 0.0 109.505 -179.45 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -59.91 -37.08 78.41 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 114.661 -1.154 . . . . 0.0 111.701 179.703 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 29.0 mmtm -71.6 -31.63 67.12 Favored 'General case' 0 CA--C 1.504 -0.823 0 N-CA-C 111.994 0.368 . . . . 0.0 111.994 -177.062 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.517 ' HG3' ' O ' ' A' ' 10' ' ' ILE . 88.9 mttt -61.45 -51.15 69.91 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-O 121.656 0.741 . . . . 0.0 109.387 178.02 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 72.2 mmtt -71.08 -27.32 63.53 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 114.951 -1.022 . . . . 0.0 110.726 -175.37 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 35.8 tt0 -78.1 -36.76 47.66 Favored 'General case' 0 C--N 1.31 -1.134 0 CA-C-N 115.182 -0.917 . . . . 0.0 108.987 -176.642 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.458 HD21 ' HB2' ' A' ' 34' ' ' PHE . 13.6 mt -61.05 -40.02 92.03 Favored 'General case' 0 N--CA 1.43 -1.454 0 CA-C-N 115.092 -0.958 . . . . 0.0 111.047 174.855 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.51 ' O ' ' HG3' ' A' ' 22' ' ' GLU . 76.0 mt -57.25 -45.49 84.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 123.655 0.597 . . . . 0.0 109.909 177.155 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 79.1 t80 -59.11 -49.11 79.14 Favored 'General case' 0 C--O 1.236 0.355 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.635 177.003 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.432 ' HB3' HG22 ' A' ' 31' ' ' VAL . 79.0 mt -63.62 -41.68 98.27 Favored 'General case' 0 C--N 1.314 -0.943 0 CA-C-N 115.985 -0.552 . . . . 0.0 111.211 -178.191 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 71.2 t -60.97 -44.75 98.75 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.663 0 CA-C-N 116.513 -0.312 . . . . 0.0 110.78 175.84 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . 0.51 ' HG3' ' O ' ' A' ' 18' ' ' ILE . 29.2 mt-10 -67.98 -31.73 71.64 Favored 'General case' 0 C--N 1.316 -0.871 0 C-N-CA 120.56 -0.456 . . . . 0.0 111.82 -179.458 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 14.3 mmmm -82.83 -48.11 11.13 Favored 'General case' 0 C--N 1.317 -0.81 0 N-CA-C 113.666 0.987 . . . . 0.0 113.666 179.667 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 67.0 m-85 -108.19 -36.89 6.17 Favored 'General case' 0 C--N 1.309 -1.181 0 N-CA-C 112.191 0.441 . . . . 0.0 112.191 -173.297 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 115.66 -159.65 13.71 Favored Glycine 0 C--N 1.294 -1.787 0 N-CA-C 110.836 -0.906 . . . . 0.0 110.836 -175.538 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 98.2 m-85 -102.86 -15.63 16.15 Favored 'General case' 0 C--N 1.315 -0.917 0 N-CA-C 111.691 0.256 . . . . 0.0 111.691 -178.119 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 7.4 m -82.18 -18.67 41.89 Favored 'General case' 0 C--N 1.317 -0.826 0 CA-C-O 121.353 0.597 . . . . 0.0 110.893 -174.959 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 44.7 t60 -59.52 122.94 15.29 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-N 115.46 -0.791 . . . . 0.0 110.959 -179.114 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 77.3 m-70 -54.52 -43.45 71.92 Favored 'General case' 0 N--CA 1.473 0.684 0 C-N-CA 124.579 1.152 . . . . 0.0 112.79 -174.198 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 68.1 mttm -64.31 -37.74 88.56 Favored 'General case' 0 C--O 1.218 -0.562 0 C-N-CA 120.938 -0.305 . . . . 0.0 110.805 179.767 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.432 HG22 ' HB3' ' A' ' 20' ' ' LEU . 92.9 t -61.91 -45.91 97.65 Favored 'Isoleucine or valine' 0 C--O 1.238 0.47 0 N-CA-C 109.491 -0.559 . . . . 0.0 109.491 -179.793 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 60.5 mt -60.49 -46.68 95.0 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.616 0 CA-C-N 115.492 -0.777 . . . . 0.0 109.055 177.374 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 43.1 m -59.74 -40.58 88.54 Favored 'General case' 0 CA--C 1.55 0.967 0 CA-C-N 115.585 -0.734 . . . . 0.0 112.048 179.781 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . 0.458 ' HB2' HD21 ' A' ' 17' ' ' LEU . 32.3 m-85 -73.21 -30.46 63.52 Favored 'General case' 0 C--O 1.227 -0.118 0 O-C-N 122.112 -0.367 . . . . 0.0 111.176 178.441 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 41.2 m -64.31 -39.48 93.98 Favored 'General case' 0 C--O 1.243 0.72 0 N-CA-C 109.146 -0.687 . . . . 0.0 109.146 176.38 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 89.8 mt-30 -70.18 -34.1 72.55 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 114.873 -1.058 . . . . 0.0 109.925 177.415 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 7.3 tp10 -65.33 -49.92 67.6 Favored 'General case' 0 C--N 1.33 -0.281 0 C-N-CA 123.478 0.711 . . . . 0.0 109.325 178.481 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 5.8 tt -58.38 -46.24 86.73 Favored 'General case' 0 N--CA 1.469 0.51 0 C-N-CA 123.896 0.878 . . . . 0.0 109.183 179.406 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 20.8 t70 -59.57 -41.28 89.83 Favored 'General case' 0 C--O 1.241 0.652 0 CA-C-N 115.359 -0.837 . . . . 0.0 110.755 178.677 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . 0.498 ' O ' ' HG ' ' A' ' 44' ' ' LEU . 31.6 tpt180 -69.2 -40.25 78.13 Favored 'General case' 0 C--N 1.316 -0.863 0 CA-C-N 115.319 -0.855 . . . . 0.0 110.54 179.147 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.476 ' HB3' HG12 ' A' ' 10' ' ' ILE . 98.1 mt -61.25 -43.18 99.29 Favored 'General case' 0 N--CA 1.469 0.485 0 N-CA-C 110.06 -0.348 . . . . 0.0 110.06 177.873 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 51.4 tp -61.21 -44.11 97.81 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.452 0.644 . . . . 0.0 109.412 175.747 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 22.4 t-20 -63.7 -26.34 68.61 Favored 'General case' 0 C--O 1.209 -1.042 0 CA-C-N 115.3 -0.864 . . . . 0.0 111.776 -179.76 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.498 ' HG ' ' O ' ' A' ' 40' ' ' ARG . 80.3 mt -64.44 -39.1 93.18 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-O 120.825 0.345 . . . . 0.0 110.142 176.203 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 92.0 mt -67.29 -39.69 86.0 Favored 'General case' 0 C--O 1.238 0.487 0 N-CA-C 109.243 -0.651 . . . . 0.0 109.243 176.926 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 71.0 mt -64.03 -48.46 85.83 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.675 0 CA-C-N 114.891 -1.05 . . . . 0.0 109.999 178.758 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 22.4 mm-40 . . . . . 0 CA--C 1.501 -0.923 0 N-CA-C 113.823 1.046 . . . . 0.0 113.823 -179.347 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 28.6 m . . . . . 0 CA--C 1.532 0.287 0 N-CA-C 111.985 0.365 . . . . 0.0 111.985 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 10.1 t -66.63 -34.38 77.75 Favored 'General case' 0 CA--C 1.553 1.07 0 CA-C-O 120.808 0.337 . . . . 0.0 110.524 177.14 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 53.5 mttp -69.93 -38.41 76.21 Favored 'General case' 0 C--O 1.243 0.714 0 N-CA-C 109.472 -0.566 . . . . 0.0 109.472 177.172 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.408 ' O ' HG13 ' A' ' 10' ' ' ILE . 33.5 tp -63.52 -44.03 95.44 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 114.697 -1.138 . . . . 0.0 109.46 179.194 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' ASN . . . . . 0.446 ' O ' ' HB ' ' A' ' 10' ' ' ILE . 3.7 t-20 -63.18 -42.58 99.39 Favored 'General case' 0 N--CA 1.464 0.265 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.669 179.392 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 15.3 t70 -59.81 -38.29 81.54 Favored 'General case' 0 N--CA 1.478 0.932 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.275 178.469 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 79.2 mtp180 -63.98 -40.46 96.43 Favored 'General case' 0 N--CA 1.47 0.537 0 CA-C-N 115.887 -0.597 . . . . 0.0 109.978 176.81 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.446 ' HB ' ' O ' ' A' ' 7' ' ' ASN . 73.6 mt -59.27 -44.11 91.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-N 115.32 -0.855 . . . . 0.0 110.078 177.784 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 39.4 mt-10 -60.64 -37.49 81.66 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 116.015 -0.539 . . . . 0.0 111.532 -179.485 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -72.66 -37.0 68.08 Favored 'General case' 0 C--N 1.311 -1.082 0 CA-C-O 121.204 0.526 . . . . 0.0 110.54 178.723 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 48.0 mttm -72.94 -33.91 66.23 Favored 'General case' 0 C--N 1.321 -0.642 0 N-CA-C 112.112 0.412 . . . . 0.0 112.112 -178.685 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.529 ' O ' HG12 ' A' ' 18' ' ' ILE . 13.3 ptmm? -73.44 -29.53 62.61 Favored 'General case' 0 C--N 1.313 -0.998 0 C-N-CA 120.765 -0.374 . . . . 0.0 111.173 -179.258 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -71.86 -29.94 64.91 Favored 'General case' 0 C--O 1.241 0.642 0 CA-C-O 121.86 0.838 . . . . 0.0 110.453 176.305 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . 0.538 ' O ' ' HG ' ' A' ' 20' ' ' LEU . 12.6 tp10 -67.88 -43.96 78.16 Favored 'General case' 0 C--N 1.318 -0.785 0 N-CA-C 106.255 -1.757 . . . . 0.0 106.255 -179.635 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.456 ' O ' HG23 ' A' ' 21' ' ' VAL . 14.9 mt -54.84 -44.52 74.02 Favored 'General case' 0 C--O 1.207 -1.157 0 CA-C-N 113.778 -1.556 . . . . 0.0 112.433 176.387 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.532 ' O ' ' HG3' ' A' ' 22' ' ' GLU . 34.9 mm -54.4 -50.15 59.54 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.818 0 O-C-N 123.869 0.731 . . . . 0.0 109.089 179.37 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 88.8 t80 -60.89 -47.39 86.6 Favored 'General case' 0 N--CA 1.447 -0.623 0 CA-C-N 114.785 -1.098 . . . . 0.0 110.598 179.485 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.538 ' HG ' ' O ' ' A' ' 16' ' ' GLU . 87.8 mt -62.33 -46.03 90.56 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 115.851 -0.613 . . . . 0.0 111.76 -178.448 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.456 HG23 ' O ' ' A' ' 17' ' ' LEU . 84.3 t -58.37 -43.0 85.48 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.467 0 C-N-CA 122.874 0.469 . . . . 0.0 111.306 179.107 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . 0.532 ' HG3' ' O ' ' A' ' 18' ' ' ILE . 49.7 mt-10 -66.13 -48.7 69.97 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-O 121.462 0.648 . . . . 0.0 110.959 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 46.1 mmtm -79.83 -41.2 26.86 Favored 'General case' 0 C--N 1.312 -1.028 0 N-CA-C 113.409 0.892 . . . . 0.0 113.409 -170.564 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 81.5 m-85 -99.47 -27.7 13.6 Favored 'General case' 0 C--N 1.312 -1.035 0 CA-C-O 120.917 0.389 . . . . 0.0 111.908 -176.836 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 116.32 146.96 8.73 Favored Glycine 0 C--N 1.303 -1.25 0 C-N-CA 120.279 -0.963 . . . . 0.0 112.101 178.83 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 30.5 p90 -73.71 -15.54 61.22 Favored 'General case' 0 N--CA 1.472 0.633 0 CA-C-O 121.704 0.764 . . . . 0.0 110.265 178.411 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 3.9 m -90.25 -3.55 57.74 Favored 'General case' 0 N--CA 1.436 -1.168 0 CA-C-N 115.064 -0.971 . . . . 0.0 109.788 179.614 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 14.6 t60 -79.41 109.69 14.01 Favored 'General case' 0 N--CA 1.44 -0.956 0 N-CA-C 108.216 -1.031 . . . . 0.0 108.216 -177.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 49.2 m80 -60.18 -31.04 69.75 Favored 'General case' 0 C--N 1.318 -0.784 0 N-CA-C 115.016 1.487 . . . . 0.0 115.016 -172.435 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 49.4 mmtm -64.31 -35.62 81.44 Favored 'General case' 0 C--N 1.323 -0.568 0 C-N-CA 119.653 -0.819 . . . . 0.0 110.483 175.934 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 57.9 t -69.17 -38.62 78.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 N-CA-C 108.863 -0.791 . . . . 0.0 108.863 177.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 65.0 mt -64.62 -37.04 79.06 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.661 0 CA-C-N 115.592 -0.731 . . . . 0.0 109.941 176.949 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 30.3 t -60.89 -41.99 97.14 Favored 'General case' 0 C--N 1.322 -0.6 0 N-CA-C 109.53 -0.544 . . . . 0.0 109.53 175.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 16.6 m-85 -68.11 -33.72 75.04 Favored 'General case' 0 N--CA 1.468 0.449 0 N-CA-C 109.916 -0.401 . . . . 0.0 109.916 178.446 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . 0.417 ' HA ' HD11 ' A' ' 17' ' ' LEU . 21.8 t -64.39 -38.75 92.13 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-N 116.153 -0.476 . . . . 0.0 109.812 178.262 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 47.3 mt-30 -71.39 -34.02 70.01 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 121.301 0.572 . . . . 0.0 110.272 177.08 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 6.1 tm-20 -64.08 -43.26 95.98 Favored 'General case' 0 C--N 1.321 -0.664 0 N-CA-C 107.747 -1.205 . . . . 0.0 107.747 178.271 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -66.43 -46.98 74.67 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 114.425 -1.261 . . . . 0.0 109.153 177.7 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 14.9 t70 -56.81 -41.67 78.17 Favored 'General case' 0 C--N 1.321 -0.656 0 C-N-CA 123.822 0.849 . . . . 0.0 111.401 179.713 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 26.9 tpt180 -68.11 -37.13 80.82 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.567 -179.757 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 95.5 mt -64.92 -41.1 95.84 Favored 'General case' 0 CA--C 1.515 -0.367 0 CA-C-O 121.145 0.498 . . . . 0.0 109.916 176.935 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 66.4 tp -62.52 -37.89 87.82 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.721 -0.672 . . . . 0.0 109.904 177.095 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . 0.412 HD22 ' HA ' ' A' ' 43' ' ' ASN . 2.0 t-20 -67.61 -32.32 72.95 Favored 'General case' 0 C--O 1.206 -1.199 0 CA-C-N 115.414 -0.812 . . . . 0.0 110.039 -178.392 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 73.2 mt -56.21 -46.01 79.66 Favored 'General case' 0 N--CA 1.469 0.491 0 C-N-CA 123.158 0.583 . . . . 0.0 110.909 176.873 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 88.7 mt -60.23 -50.09 75.02 Favored 'General case' 0 CA--C 1.514 -0.421 0 CA-C-N 115.791 -0.64 . . . . 0.0 109.697 179.306 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 66.3 mt -61.43 -47.39 93.65 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.981 0 CA-C-N 114.906 -1.043 . . . . 0.0 110.741 -178.622 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.245 0.841 0 C-N-CA 124.351 1.061 . . . . 0.0 109.842 -177.308 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 27.8 m . . . . . 0 C--O 1.218 -0.582 0 CA-C-O 120.82 0.343 . . . . 0.0 110.683 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 14.2 t -65.52 -30.58 71.35 Favored 'General case' 0 CA--C 1.545 0.777 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.31 178.465 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 97.5 mttt -78.17 -30.87 49.35 Favored 'General case' 0 CA--C 1.512 -0.517 0 CA-C-O 121.267 0.556 . . . . 0.0 109.853 179.528 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 35.5 tp -72.6 -41.74 65.3 Favored 'General case' 0 C--N 1.314 -0.942 0 N-CA-C 108.421 -0.955 . . . . 0.0 108.421 177.481 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 3.2 t-20 -59.75 -42.03 92.29 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.258 -0.883 . . . . 0.0 109.884 176.668 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 25.2 t70 -57.39 -35.2 69.7 Favored 'General case' 0 N--CA 1.471 0.603 0 CA-C-N 115.842 -0.617 . . . . 0.0 111.581 177.175 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 79.4 mtp180 -69.82 -42.12 74.08 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.112 178.233 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 74.9 mt -61.83 -46.38 96.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 N-CA-C 109.016 -0.735 . . . . 0.0 109.016 177.733 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 36.2 tt0 -59.87 -38.98 83.72 Favored 'General case' 0 C--N 1.312 -1.027 0 CA-C-N 114.578 -1.192 . . . . 0.0 110.406 -179.75 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -72.71 -34.72 67.31 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.949 -0.569 . . . . 0.0 111.236 178.625 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 16.6 tppt? -69.37 -34.93 75.3 Favored 'General case' 0 C--N 1.32 -0.7 0 N-CA-C 109.064 -0.717 . . . . 0.0 109.064 -178.445 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.401 ' O ' HG13 ' A' ' 18' ' ' ILE . 54.2 mttm -61.69 -41.47 97.63 Favored 'General case' 0 C--N 1.311 -1.098 0 CA-C-N 115.113 -0.949 . . . . 0.0 111.156 175.207 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 45.9 mmtm -65.55 -31.74 72.96 Favored 'General case' 0 N--CA 1.47 0.554 0 CA-C-O 121.384 0.612 . . . . 0.0 110.054 179.747 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . 0.523 ' O ' ' HG ' ' A' ' 20' ' ' LEU . 37.3 tt0 -72.08 -47.8 48.82 Favored 'General case' 0 N--CA 1.437 -1.088 0 CA-C-N 114.908 -1.042 . . . . 0.0 108.27 -178.36 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.444 ' O ' HG23 ' A' ' 21' ' ' VAL . 3.2 mm? -57.53 -49.77 75.26 Favored 'General case' 0 C--N 1.316 -0.856 0 CA-C-N 115.097 -0.956 . . . . 0.0 112.131 176.825 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.401 HG13 ' O ' ' A' ' 14' ' ' LYS . 85.6 mt -56.42 -39.68 62.65 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.643 0 CA-C-O 120.872 0.368 . . . . 0.0 110.518 178.867 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 36.9 t80 -65.13 -46.83 79.38 Favored 'General case' 0 C--O 1.246 0.905 0 CA-C-N 115.603 -0.726 . . . . 0.0 110.308 179.412 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.523 ' HG ' ' O ' ' A' ' 16' ' ' GLU . 86.1 mt -64.66 -41.07 96.36 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.617 -0.719 . . . . 0.0 110.959 -178.194 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.444 HG23 ' O ' ' A' ' 17' ' ' LEU . 85.4 t -60.53 -33.03 52.92 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.735 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.509 176.842 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 74.2 mm-40 -68.44 -48.96 63.2 Favored 'General case' 0 C--N 1.316 -0.891 0 N-CA-C 113.168 0.803 . . . . 0.0 113.168 177.037 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 61.9 mttp -82.66 -42.95 17.5 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 114.842 1.423 . . . . 0.0 114.842 -178.299 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 64.3 m-85 -91.35 -49.67 6.22 Favored 'General case' 0 C--N 1.312 -1.049 0 CA-C-O 121.678 0.751 . . . . 0.0 109.408 -178.5 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . 0.417 ' O ' ' HA ' ' A' ' 21' ' ' VAL . . . 121.58 -163.45 15.01 Favored Glycine 0 N--CA 1.42 -2.419 0 N-CA-C 109.479 -1.448 . . . . 0.0 109.479 -175.74 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 35.5 p90 -111.55 170.54 8.06 Favored 'General case' 0 C--N 1.288 -2.084 0 N-CA-C 108.624 -0.88 . . . . 0.0 108.624 179.136 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 30.5 p 61.89 9.93 3.25 Favored 'General case' 0 CA--C 1.551 0.991 0 C-N-CA 125.304 1.442 . . . . 0.0 113.699 -176.381 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 65.2 t60 -78.5 137.61 38.02 Favored 'General case' 0 N--CA 1.446 -0.631 0 N-CA-C 107.222 -1.399 . . . . 0.0 107.222 177.143 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 56.0 m-70 -66.79 -33.44 75.63 Favored 'General case' 0 C--N 1.314 -0.944 0 N-CA-C 115.102 1.519 . . . . 0.0 115.102 -170.83 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 63.0 mttp -64.45 -41.87 96.3 Favored 'General case' 0 CA--C 1.51 -0.583 0 N-CA-C 108.41 -0.959 . . . . 0.0 108.41 173.483 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 96.1 t -62.07 -39.56 84.23 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.614 0 CA-C-N 115.309 -0.859 . . . . 0.0 109.624 178.436 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 75.4 mt -60.73 -44.65 97.73 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.659 0 CA-C-O 121.196 0.522 . . . . 0.0 109.962 174.867 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 41.7 m -63.0 -34.95 78.64 Favored 'General case' 0 C--N 1.313 -0.995 0 CA-C-N 115.98 -0.555 . . . . 0.0 111.209 178.111 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 20.9 m-85 -77.78 -30.68 51.51 Favored 'General case' 0 C--N 1.32 -0.71 0 O-C-N 121.847 -0.533 . . . . 0.0 111.559 176.238 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 50.4 m -66.18 -40.99 90.88 Favored 'General case' 0 C--O 1.242 0.673 0 CA-C-O 120.95 0.405 . . . . 0.0 110.358 179.046 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . 0.578 ' O ' ' HG2' ' A' ' 40' ' ' ARG . 10.7 pt20 -72.2 -28.65 63.33 Favored 'General case' 0 C--O 1.208 -1.11 0 CA-C-N 116.215 -0.448 . . . . 0.0 109.965 176.034 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 38.5 tt0 -66.55 -39.43 88.54 Favored 'General case' 0 CA--C 1.535 0.373 0 CA-C-O 121.184 0.516 . . . . 0.0 109.656 176.651 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -61.01 -44.06 97.98 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 108.124 -1.065 . . . . 0.0 108.124 174.112 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 21.7 t70 -63.57 -34.85 78.71 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 114.985 -1.007 . . . . 0.0 111.112 179.291 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . 0.578 ' HG2' ' O ' ' A' ' 36' ' ' GLN . 28.0 mmt180 -62.48 -46.86 86.55 Favored 'General case' 0 CA--C 1.509 -0.61 0 N-CA-C 109.467 -0.568 . . . . 0.0 109.467 176.542 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 93.3 mt -61.69 -41.52 97.7 Favored 'General case' 0 CA--C 1.52 -0.193 0 CA-C-N 115.576 -0.738 . . . . 0.0 110.518 179.528 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 58.5 tp -64.26 -40.86 96.85 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 121.471 0.653 . . . . 0.0 109.819 177.581 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 9.6 m-80 -68.85 -20.0 64.27 Favored 'General case' 0 C--O 1.205 -1.249 0 CA-C-N 115.528 -0.76 . . . . 0.0 112.486 178.898 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.457 ' HG ' ' O ' ' A' ' 40' ' ' ARG . 80.2 mt -62.52 -31.53 72.32 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 111.889 0.329 . . . . 0.0 111.889 178.955 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 6.7 mp -67.95 -36.2 79.69 Favored 'General case' 0 N--CA 1.469 0.515 0 CA-C-O 121.44 0.638 . . . . 0.0 109.906 176.831 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 69.9 mt -73.02 -46.73 50.63 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.837 0 CA-C-N 115.214 -0.903 . . . . 0.0 108.773 178.117 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 23.6 tp10 . . . . . 0 C--N 1.317 -0.826 0 C-N-CA 125.858 1.663 . . . . 0.0 111.116 -179.964 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 35.5 m . . . . . 0 N--CA 1.464 0.259 0 N-CA-C 114.224 1.194 . . . . 0.0 114.224 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 15.3 t -63.9 -37.31 86.94 Favored 'General case' 0 C--O 1.208 -1.1 0 C-N-CA 119.858 -0.737 . . . . 0.0 110.526 179.941 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 30.8 mmmt -68.67 -32.96 73.17 Favored 'General case' 0 CA--C 1.503 -0.862 0 CA-C-O 121.149 0.5 . . . . 0.0 109.991 -178.116 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 53.2 tp -69.15 -51.18 40.9 Favored 'General case' 0 C--N 1.304 -1.397 0 CA-C-N 115.143 -0.935 . . . . 0.0 109.468 178.732 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' ASN . . . . . 0.444 ' O ' ' HG2' ' A' ' 11' ' ' GLU . 0.2 OUTLIER -64.51 -39.31 93.55 Favored 'General case' 0 CA--C 1.534 0.362 0 CA-C-N 115.95 -0.568 . . . . 0.0 109.835 -178.379 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 18.1 m-20 -63.14 -38.07 89.73 Favored 'General case' 0 N--CA 1.474 0.755 0 N-CA-C 112.174 0.435 . . . . 0.0 112.174 178.344 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 70.8 mtp180 -65.29 -38.85 91.5 Favored 'General case' 0 CA--C 1.51 -0.587 0 CA-C-O 120.848 0.356 . . . . 0.0 110.129 176.277 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 84.3 mt -61.0 -45.09 99.22 Favored 'Isoleucine or valine' 0 C--O 1.206 -1.212 0 CA-C-N 115.701 -0.681 . . . . 0.0 109.699 177.03 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . 0.444 ' HG2' ' O ' ' A' ' 7' ' ' ASN . 20.4 mm-40 -59.39 -36.17 75.31 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-O 121.207 0.527 . . . . 0.0 111.491 178.398 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -73.21 -36.77 66.55 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-O 121.023 0.439 . . . . 0.0 110.07 178.277 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.424 ' O ' ' HB3' ' A' ' 16' ' ' GLU . 4.0 tmtm? -71.8 -38.69 70.21 Favored 'General case' 0 C--N 1.317 -0.83 0 CA-C-N 115.374 -0.83 . . . . 0.0 109.003 -178.297 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.639 ' O ' HG12 ' A' ' 18' ' ' ILE . 55.7 mtpt -59.03 -53.26 60.43 Favored 'General case' 0 C--N 1.316 -0.877 0 C-N-CA 123.443 0.697 . . . . 0.0 111.493 178.689 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 31.9 mmmt -65.77 -26.79 67.88 Favored 'General case' 0 N--CA 1.476 0.872 0 CA-C-O 121.495 0.664 . . . . 0.0 110.756 -179.755 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . 0.424 ' HB3' ' O ' ' A' ' 13' ' ' LYS . 30.8 tt0 -67.1 -47.81 70.06 Favored 'General case' 0 C--N 1.314 -0.965 0 N-CA-C 108.344 -0.984 . . . . 0.0 108.344 176.769 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.526 ' O ' HG23 ' A' ' 21' ' ' VAL . 4.0 mt -61.29 -41.36 96.84 Favored 'General case' 0 C--O 1.197 -1.696 0 CA-C-N 114.705 -1.134 . . . . 0.0 111.987 179.493 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.639 HG12 ' O ' ' A' ' 14' ' ' LYS . 36.6 mm -52.65 -47.26 49.97 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.978 0 CA-C-O 121.688 0.756 . . . . 0.0 108.968 178.557 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 79.0 t80 -63.33 -49.68 72.98 Favored 'General case' 0 C--N 1.313 -0.993 0 CA-C-N 114.299 -1.319 . . . . 0.0 110.405 179.04 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 90.8 mt -65.8 -34.81 79.02 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 112.446 0.535 . . . . 0.0 112.446 -177.958 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.526 HG23 ' O ' ' A' ' 17' ' ' LEU . 71.7 t -62.24 -45.35 98.95 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.608 0 N-CA-C 109.892 -0.41 . . . . 0.0 109.892 177.409 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . 0.51 ' HG2' ' O ' ' A' ' 18' ' ' ILE . 47.3 mm-40 -67.61 -45.84 74.28 Favored 'General case' 0 C--N 1.318 -0.781 0 CA-C-O 121.344 0.592 . . . . 0.0 110.08 179.538 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 23.6 tptm -65.34 -48.38 73.2 Favored 'General case' 0 N--CA 1.428 -1.547 0 C-N-CA 123.858 0.863 . . . . 0.0 113.271 -177.119 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 66.2 m-85 -105.58 5.38 31.26 Favored 'General case' 0 C--N 1.32 -0.679 0 N-CA-C 114.226 1.195 . . . . 0.0 114.226 -173.788 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 80.34 11.34 84.35 Favored Glycine 0 C--N 1.309 -0.922 0 C-N-CA 120.558 -0.83 . . . . 0.0 114.703 170.499 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . 0.517 ' HB2' HG13 ' A' ' 21' ' ' VAL . 52.0 t80 70.23 -49.3 0.64 Allowed 'General case' 0 N--CA 1.475 0.782 0 C-N-CA 125.112 1.365 . . . . 0.0 114.041 177.908 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 18.7 p -67.91 -12.92 61.65 Favored 'General case' 0 C--N 1.315 -0.9 0 N-CA-C 113.479 0.918 . . . . 0.0 113.479 -174.944 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 78.4 t60 -64.0 125.1 23.34 Favored 'General case' 0 N--CA 1.444 -0.752 0 N-CA-C 107.468 -1.308 . . . . 0.0 107.468 173.847 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 21.1 t-80 -55.74 -32.36 63.32 Favored 'General case' 0 N--CA 1.471 0.611 0 N-CA-C 113.825 1.046 . . . . 0.0 113.825 -170.697 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 33.8 mmtp -64.6 -33.22 75.41 Favored 'General case' 0 C--N 1.324 -0.53 0 C-N-CA 119.717 -0.793 . . . . 0.0 111.966 176.816 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 47.2 t -68.23 -38.86 80.23 Favored 'Isoleucine or valine' 0 C--O 1.24 0.593 0 N-CA-C 108.453 -0.943 . . . . 0.0 108.453 178.559 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 63.3 mt -63.39 -37.73 80.31 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.783 0 CA-C-N 115.286 -0.87 . . . . 0.0 109.158 176.069 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 23.0 t -64.49 -45.21 88.29 Favored 'General case' 0 N--CA 1.444 -0.762 0 CA-C-N 115.895 -0.593 . . . . 0.0 109.745 177.811 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 16.4 m-85 -64.12 -33.41 75.71 Favored 'General case' 0 N--CA 1.464 0.241 0 CA-C-O 120.814 0.34 . . . . 0.0 110.446 179.643 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . 0.423 ' HA ' HD11 ' A' ' 17' ' ' LEU . 39.9 m -64.53 -41.58 96.28 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.144 177.807 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . 0.542 ' O ' ' HG3' ' A' ' 40' ' ' ARG . 48.6 mt-30 -71.83 -31.14 66.22 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.284 179.205 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 42.9 tt0 -65.91 -44.0 86.47 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 115.729 -0.669 . . . . 0.0 109.84 177.341 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 6.7 tt -63.79 -43.91 94.92 Favored 'General case' 0 CA--C 1.517 -0.304 0 N-CA-C 108.489 -0.93 . . . . 0.0 108.489 177.757 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 21.7 t70 -55.68 -36.45 67.14 Favored 'General case' 0 C--O 1.216 -0.681 0 CA-C-N 115.566 -0.743 . . . . 0.0 111.632 178.87 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . 0.542 ' HG3' ' O ' ' A' ' 36' ' ' GLN . 99.0 mtt180 -63.1 -45.45 91.98 Favored 'General case' 0 N--CA 1.472 0.646 0 CA-C-O 120.848 0.356 . . . . 0.0 110.385 178.33 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 89.4 mt -69.08 -41.83 77.02 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.657 -0.701 . . . . 0.0 109.967 179.928 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 47.8 tp -61.41 -40.93 96.21 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-N 115.371 -0.831 . . . . 0.0 110.567 178.698 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 15.9 t-20 -63.73 -25.42 68.19 Favored 'General case' 0 C--O 1.215 -0.73 0 CA-C-N 115.305 -0.861 . . . . 0.0 110.409 -179.251 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 96.6 mt -69.15 -35.46 76.37 Favored 'General case' 0 N--CA 1.443 -0.787 0 CA-C-N 116.466 -0.334 . . . . 0.0 110.543 177.044 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 79.9 mt -67.64 -37.24 82.16 Favored 'General case' 0 N--CA 1.471 0.603 0 N-CA-C 109.484 -0.561 . . . . 0.0 109.484 175.039 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 66.2 mt -63.87 -40.95 90.91 Favored 'Isoleucine or valine' 0 C--O 1.242 0.663 0 CA-C-N 115.211 -0.904 . . . . 0.0 109.107 176.953 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 5.6 tp10 . . . . . 0 C--O 1.217 -0.633 0 CA-C-N 114.906 -1.043 . . . . 0.0 110.085 177.768 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 28.1 m . . . . . 0 C--O 1.219 -0.508 0 CA-C-O 120.866 0.365 . . . . 0.0 110.454 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 8.7 t -65.48 -32.89 74.75 Favored 'General case' 0 CA--C 1.551 0.995 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.992 175.933 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . 0.51 ' O ' ' HG3' ' A' ' 9' ' ' ARG . 31.9 mmtp -76.04 -37.29 58.52 Favored 'General case' 0 CA--C 1.5 -0.971 0 N-CA-C 109.668 -0.493 . . . . 0.0 109.668 178.056 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 23.4 tp -65.7 -38.97 90.69 Favored 'General case' 0 C--N 1.31 -1.128 0 N-CA-C 108.943 -0.762 . . . . 0.0 108.943 177.145 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' ASN . . . . . 0.417 ' O ' ' HB ' ' A' ' 10' ' ' ILE . 26.4 t-20 -60.94 -39.43 89.45 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.452 -0.795 . . . . 0.0 110.071 174.405 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 13.7 t70 -65.9 -36.31 83.05 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-N 115.623 -0.717 . . . . 0.0 110.384 179.09 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . 0.51 ' HG3' ' O ' ' A' ' 5' ' ' LYS . 97.1 mtt180 -65.84 -32.83 74.58 Favored 'General case' 0 C--O 1.243 0.72 0 CA-C-N 115.962 -0.563 . . . . 0.0 109.696 176.765 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.551 ' O ' ' HG3' ' A' ' 14' ' ' LYS . 83.0 mt -64.7 -39.36 85.37 Favored 'Isoleucine or valine' 0 C--O 1.21 -1.026 0 CA-C-N 115.494 -0.775 . . . . 0.0 109.541 174.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . 0.531 ' O ' ' HG3' ' A' ' 15' ' ' LYS . 39.7 tt0 -55.09 -49.3 72.03 Favored 'General case' 0 N--CA 1.472 0.645 0 CA-C-O 120.917 0.389 . . . . 0.0 110.418 179.256 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -66.09 -27.17 67.86 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.806 -0.633 . . . . 0.0 111.051 -179.782 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 55.5 tptt -75.87 -39.02 57.3 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-N 115.741 -0.663 . . . . 0.0 109.572 179.142 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.551 ' HG3' ' O ' ' A' ' 10' ' ' ILE . 50.3 mtpt -62.26 -47.57 83.76 Favored 'General case' 0 C--O 1.218 -0.556 0 CA-C-N 115.592 -0.731 . . . . 0.0 109.399 178.082 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . 0.531 ' HG3' ' O ' ' A' ' 11' ' ' GLU . 29.2 mtpp -59.05 -43.75 91.73 Favored 'General case' 0 N--CA 1.469 0.51 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.147 179.887 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 30.8 tt0 -58.76 -48.92 79.55 Favored 'General case' 0 C--O 1.246 0.902 0 CA-C-N 114.792 -1.095 . . . . 0.0 110.31 179.315 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.448 ' O ' HG23 ' A' ' 21' ' ' VAL . 34.3 tp -67.27 -48.69 66.94 Favored 'General case' 0 N--CA 1.445 -0.697 0 CA-C-N 115.021 -0.99 . . . . 0.0 110.735 -177.625 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.477 ' O ' ' HG2' ' A' ' 22' ' ' GLU . 76.7 mt -53.89 -45.59 63.29 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.455 0 C-N-CA 122.826 0.45 . . . . 0.0 110.701 179.335 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 87.8 t80 -54.32 -45.49 72.62 Favored 'General case' 0 C--O 1.245 0.827 0 C-N-CA 123.41 0.684 . . . . 0.0 111.142 178.923 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 92.1 mt -71.76 -39.59 69.9 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.176 -178.702 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.529 ' HA ' ' O ' ' A' ' 25' ' ' GLY . 67.6 t -64.77 -39.96 87.42 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.64 0 CA-C-N 116.465 -0.334 . . . . 0.0 110.933 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . 0.477 ' HG2' ' O ' ' A' ' 18' ' ' ILE . 36.5 mm-40 -64.0 -44.01 93.94 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-O 120.972 0.415 . . . . 0.0 110.886 178.458 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 8.4 mtpm? -82.49 -47.91 11.66 Favored 'General case' 0 C--N 1.321 -0.645 0 N-CA-C 114.231 1.197 . . . . 0.0 114.231 -175.478 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 73.3 m-85 -103.72 -39.93 6.48 Favored 'General case' 0 C--N 1.307 -1.248 0 CA-C-O 121.216 0.531 . . . . 0.0 111.247 -175.849 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . 0.529 ' O ' ' HA ' ' A' ' 21' ' ' VAL . . . 121.58 -157.61 16.4 Favored Glycine 0 C--N 1.29 -1.98 0 N-CA-C 109.248 -1.541 . . . . 0.0 109.248 -175.045 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 43.3 p90 -135.36 17.26 3.4 Favored 'General case' 0 C--N 1.303 -1.454 0 CA-C-N 117.692 0.746 . . . . 0.0 111.303 -177.406 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 4.9 m -88.53 -25.54 22.48 Favored 'General case' 0 C--N 1.294 -1.846 0 N-CA-C 112.23 0.456 . . . . 0.0 112.23 -174.65 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 37.3 p-80 -82.65 160.36 22.47 Favored 'General case' 0 C--O 1.244 0.813 0 C-N-CA 120.096 -0.642 . . . . 0.0 111.916 -176.555 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 73.8 m-70 -60.87 -32.26 71.7 Favored 'General case' 0 N--CA 1.477 0.881 0 N-CA-C 115.034 1.494 . . . . 0.0 115.034 -171.814 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -62.52 -47.6 83.23 Favored 'General case' 0 C--N 1.321 -0.649 0 C-N-CA 120.199 -0.6 . . . . 0.0 111.377 -179.878 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.445 HG13 HD11 ' A' ' 17' ' ' LEU . 85.1 t -61.75 -42.31 93.9 Favored 'Isoleucine or valine' 0 C--O 1.239 0.525 0 N-CA-C 110.105 -0.331 . . . . 0.0 110.105 178.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 68.8 mt -57.63 -48.86 82.34 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.473 0 CA-C-N 115.839 -0.619 . . . . 0.0 109.612 177.878 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 34.9 m -61.09 -41.52 96.81 Favored 'General case' 0 N--CA 1.446 -0.655 0 CA-C-N 115.793 -0.639 . . . . 0.0 111.44 179.603 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 25.9 m-85 -68.44 -33.57 74.43 Favored 'General case' 0 N--CA 1.453 -0.308 0 N-CA-C 111.801 0.297 . . . . 0.0 111.801 179.419 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 22.7 t -69.48 -35.71 75.84 Favored 'General case' 0 C--N 1.322 -0.617 0 N-CA-C 109.677 -0.49 . . . . 0.0 109.677 178.566 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 93.9 mt-30 -68.99 -35.19 76.42 Favored 'General case' 0 N--CA 1.468 0.471 0 CA-C-O 121.462 0.648 . . . . 0.0 109.646 175.758 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 30.1 tt0 -71.09 -41.82 70.13 Favored 'General case' 0 N--CA 1.44 -0.935 0 CA-C-N 115.404 -0.817 . . . . 0.0 110.488 179.813 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 6.4 tt -61.98 -42.76 99.49 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 107.977 -1.12 . . . . 0.0 107.977 176.796 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 17.1 t70 -56.38 -41.4 76.15 Favored 'General case' 0 C--O 1.22 -0.499 0 CA-C-N 115.044 -0.98 . . . . 0.0 111.318 176.102 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . 0.415 ' O ' ' HG ' ' A' ' 44' ' ' LEU . 34.4 ttp180 -65.07 -42.65 93.98 Favored 'General case' 0 C--N 1.318 -0.791 0 CA-C-N 115.843 -0.617 . . . . 0.0 111.063 -179.215 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 10.9 mp -66.26 -41.4 89.96 Favored 'General case' 0 N--CA 1.47 0.552 0 CA-C-O 121.099 0.476 . . . . 0.0 110.527 175.941 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 6.6 tt -63.73 -35.88 82.04 Favored 'General case' 0 C--N 1.322 -0.629 0 N-CA-C 109.291 -0.633 . . . . 0.0 109.291 179.567 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . 0.435 ' HA ' HD12 ' A' ' 46' ' ' ILE . 18.0 t-20 -65.6 -27.23 68.25 Favored 'General case' 0 C--N 1.317 -0.821 0 CA-C-N 115.748 -0.66 . . . . 0.0 110.988 -179.588 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.507 ' O ' ' HB3' ' A' ' 47' ' ' GLU . 87.3 mt -68.27 -31.59 71.16 Favored 'General case' 0 C--N 1.317 -0.821 0 CA-C-O 121.236 0.541 . . . . 0.0 109.885 177.265 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 9.6 mp -73.91 -33.65 64.06 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.627 174.599 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.435 HD12 ' HA ' ' A' ' 43' ' ' ASN . 63.3 mt -59.56 -37.7 71.72 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.59 0 CA-C-O 121.808 0.813 . . . . 0.0 109.284 176.072 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . 0.507 ' HB3' ' O ' ' A' ' 44' ' ' LEU . 26.5 tt0 . . . . . 0 CA--C 1.555 1.169 0 C-N-CA 125.114 1.366 . . . . 0.0 111.352 176.948 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 30.6 m . . . . . 0 C--O 1.221 -0.414 0 N-CA-C 111.919 0.34 . . . . 0.0 111.919 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 9.6 t -67.95 -35.67 78.78 Favored 'General case' 0 CA--C 1.549 0.917 0 C-N-CA 120.301 -0.56 . . . . 0.0 109.727 176.459 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . 0.438 ' O ' ' HG3' ' A' ' 9' ' ' ARG . 13.4 mptt -73.64 -30.94 63.25 Favored 'General case' 0 N--CA 1.449 -0.515 0 O-C-N 122.187 -0.321 . . . . 0.0 110.428 175.699 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.529 ' O ' HG13 ' A' ' 10' ' ' ILE . 48.1 tp -61.84 -49.57 75.75 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 108.323 -0.992 . . . . 0.0 108.323 174.114 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 41.4 t30 -58.2 -42.17 85.58 Favored 'General case' 0 N--CA 1.474 0.757 0 C-N-CA 123.66 0.784 . . . . 0.0 110.826 177.908 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 18.4 t70 -58.62 -43.2 89.56 Favored 'General case' 0 N--CA 1.47 0.562 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.265 178.399 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . 0.438 ' HG3' ' O ' ' A' ' 5' ' ' LYS . 82.2 mtp180 -64.03 -42.26 97.14 Favored 'General case' 0 C--O 1.218 -0.572 0 CA-C-N 115.671 -0.695 . . . . 0.0 110.51 177.236 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.529 HG13 ' O ' ' A' ' 6' ' ' LEU . 80.5 mt -62.73 -41.71 93.4 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.611 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.53 -179.57 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 33.0 tt0 -65.63 -40.04 92.14 Favored 'General case' 0 C--N 1.317 -0.826 0 CA-C-O 121.441 0.639 . . . . 0.0 109.895 179.628 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -68.15 -25.0 65.05 Favored 'General case' 0 C--N 1.315 -0.899 0 CA-C-N 115.489 -0.778 . . . . 0.0 110.449 177.234 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 54.6 tptt -77.3 -33.79 55.59 Favored 'General case' 0 N--CA 1.448 -0.572 0 N-CA-C 108.831 -0.803 . . . . 0.0 108.831 -179.491 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.529 ' O ' HG13 ' A' ' 18' ' ' ILE . 95.7 mttt -63.32 -48.6 77.37 Favored 'General case' 0 CA--C 1.507 -0.68 0 CA-C-N 115.467 -0.788 . . . . 0.0 109.072 177.199 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 34.5 mmtp -64.99 -30.75 71.76 Favored 'General case' 0 N--CA 1.467 0.392 0 CA-C-N 115.33 -0.85 . . . . 0.0 110.432 -179.714 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 33.2 tt0 -69.78 -45.23 68.46 Favored 'General case' 0 N--CA 1.44 -0.973 0 N-CA-C 107.937 -1.134 . . . . 0.0 107.937 -178.956 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 5.1 mt -64.15 -36.48 84.2 Favored 'General case' 0 C--O 1.211 -0.953 0 CA-C-N 115.168 -0.924 . . . . 0.0 112.164 177.256 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.529 HG13 ' O ' ' A' ' 14' ' ' LYS . 77.2 mt -62.01 -48.56 87.98 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.637 0 N-CA-C 109.1 -0.704 . . . . 0.0 109.1 176.768 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . 0.529 ' O ' ' HG2' ' A' ' 23' ' ' LYS . 92.3 t80 -63.43 -52.19 62.55 Favored 'General case' 0 N--CA 1.437 -1.088 0 CA-C-N 115.436 -0.802 . . . . 0.0 110.972 179.375 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 89.5 mt -65.21 -35.1 80.02 Favored 'General case' 0 C--N 1.319 -0.736 0 N-CA-C 113.224 0.824 . . . . 0.0 113.224 -176.65 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.407 HG12 ' O ' ' A' ' 18' ' ' ILE . 8.4 p -66.43 -39.56 84.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 C-N-CA 120.359 -0.536 . . . . 0.0 109.836 -179.187 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . 0.427 ' HG3' ' O ' ' A' ' 18' ' ' ILE . 43.9 mt-10 -68.92 -37.35 78.87 Favored 'General case' 0 C--N 1.307 -1.278 0 CA-C-N 115.855 -0.611 . . . . 0.0 112.073 177.207 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.529 ' HG2' ' O ' ' A' ' 19' ' ' TYR . 32.3 mmmt -78.77 -39.11 36.92 Favored 'General case' 0 N--CA 1.47 0.525 0 N-CA-C 112.637 0.606 . . . . 0.0 112.637 -176.722 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 24.4 m-85 -86.08 -42.58 13.8 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-O 120.922 0.391 . . . . 0.0 111.327 -179.674 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 134.47 146.03 5.34 Favored Glycine 0 N--CA 1.428 -1.847 0 N-CA-C 110.336 -1.106 . . . . 0.0 110.336 -178.211 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 97.2 m-85 -72.03 128.07 34.56 Favored 'General case' 0 C--N 1.305 -1.351 0 N-CA-C 109.154 -0.684 . . . . 0.0 109.154 -179.739 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 19.1 m 65.53 83.51 0.17 Allowed 'General case' 0 C--O 1.245 0.822 0 C-N-CA 124.217 1.007 . . . . 0.0 109.174 -172.261 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' HIS . . . . . 0.411 ' CD2' ' H ' ' A' ' 30' ' ' LYS . 54.5 t60 -134.27 142.92 47.48 Favored 'General case' 0 C--N 1.302 -1.46 0 N-CA-C 106.894 -1.521 . . . . 0.0 106.894 -177.621 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 24.4 p-80 -54.65 -40.26 68.84 Favored 'General case' 0 C--N 1.318 -0.763 0 N-CA-C 113.55 0.944 . . . . 0.0 113.55 -174.511 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.411 ' H ' ' CD2' ' A' ' 28' ' ' HIS . 63.3 mttp -70.41 -40.17 74.03 Favored 'General case' 0 CA--C 1.516 -0.342 0 N-CA-C 112.092 0.404 . . . . 0.0 112.092 -179.106 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 21.2 m -67.98 -32.83 57.94 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.236 0 C-N-CA 120.215 -0.594 . . . . 0.0 111.081 -177.363 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 77.5 mt -62.31 -42.33 95.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 CA-C-N 115.925 -0.58 . . . . 0.0 109.442 175.936 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 18.0 m -64.71 -41.05 96.28 Favored 'General case' 0 CA--C 1.541 0.628 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.498 177.863 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 18.1 m-85 -66.68 -36.8 83.38 Favored 'General case' 0 C--O 1.24 0.575 0 CA-C-N 116.431 -0.35 . . . . 0.0 110.279 179.433 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 34.3 t -64.1 -43.11 96.37 Favored 'General case' 0 N--CA 1.443 -0.78 0 CA-C-N 115.693 -0.685 . . . . 0.0 110.55 179.47 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 79.6 mt-30 -63.71 -34.05 77.0 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 116.619 -0.264 . . . . 0.0 111.476 178.915 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 7.7 mm-40 -68.91 -47.6 65.39 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.911 175.474 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 6.2 tt -58.22 -42.62 86.68 Favored 'General case' 0 N--CA 1.466 0.365 0 N-CA-C 108.792 -0.818 . . . . 0.0 108.792 178.625 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 24.5 t70 -62.53 -40.77 97.84 Favored 'General case' 0 C--N 1.317 -0.84 0 CA-C-N 115.332 -0.849 . . . . 0.0 110.912 -179.362 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 63.7 ttp85 -68.75 -43.05 76.63 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.696 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.419 ' O ' ' HB2' ' A' ' 44' ' ' LEU . 10.7 mp -67.86 -36.21 79.89 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 120.843 0.354 . . . . 0.0 110.843 177.367 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 53.2 tp -61.05 -41.67 97.04 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 121.615 0.721 . . . . 0.0 109.221 175.473 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 3.7 t-20 -63.45 -33.8 76.35 Favored 'General case' 0 N--CA 1.438 -1.032 0 CA-C-N 114.849 -1.068 . . . . 0.0 110.337 179.699 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.419 ' HB2' ' O ' ' A' ' 41' ' ' LEU . 72.7 mt -56.39 -41.97 77.15 Favored 'General case' 0 N--CA 1.47 0.561 0 C-N-CA 123.032 0.533 . . . . 0.0 111.7 177.601 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 90.5 mt -60.82 -38.64 86.12 Favored 'General case' 0 C--O 1.241 0.621 0 CA-C-O 121.091 0.472 . . . . 0.0 110.327 179.037 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 36.8 mt -73.74 -50.96 26.56 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.053 0 CA-C-N 115.346 -0.843 . . . . 0.0 109.709 179.604 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 36.3 tt0 . . . . . 0 C--N 1.32 -0.684 0 C-N-CA 124.455 1.102 . . . . 0.0 111.692 -176.353 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 26.8 m . . . . . 0 N--CA 1.474 0.771 0 CA-C-O 121.142 0.496 . . . . 0.0 111.963 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 11.9 t -65.69 -26.51 67.81 Favored 'General case' 0 N--CA 1.442 -0.863 0 N-CA-C 109.652 -0.499 . . . . 0.0 109.652 177.471 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . 0.417 ' O ' ' HG3' ' A' ' 9' ' ' ARG . 55.3 mttm -72.76 -35.97 67.59 Favored 'General case' 0 CA--C 1.512 -0.51 0 C-N-CA 122.693 0.397 . . . . 0.0 110.46 179.415 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 40.0 tp -67.27 -44.98 77.99 Favored 'General case' 0 C--N 1.315 -0.92 0 N-CA-C 109.057 -0.72 . . . . 0.0 109.057 178.031 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 63.1 t30 -66.41 -31.52 72.32 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.675 -0.693 . . . . 0.0 110.084 177.853 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 29.5 t70 -62.02 -40.22 94.96 Favored 'General case' 0 C--O 1.239 0.548 0 CA-C-N 115.749 -0.659 . . . . 0.0 110.313 178.611 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . 0.437 ' O ' ' HG2' ' A' ' 13' ' ' LYS . 21.5 mtp180 -62.64 -41.92 99.31 Favored 'General case' 0 CA--C 1.516 -0.329 0 CA-C-N 115.387 -0.824 . . . . 0.0 109.654 177.152 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.409 HG22 ' HD2' ' A' ' 14' ' ' LYS . 68.7 mt -58.88 -53.36 48.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 N-CA-C 109.149 -0.685 . . . . 0.0 109.149 177.397 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 23.6 mm-40 -54.74 -42.02 71.1 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.726 -0.67 . . . . 0.0 112.201 -179.808 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -71.74 -31.71 66.96 Favored 'General case' 0 C--N 1.317 -0.833 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.407 -179.938 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.437 ' HG2' ' O ' ' A' ' 9' ' ' ARG . 28.5 mmtp -77.27 -32.63 55.68 Favored 'General case' 0 C--O 1.217 -0.641 0 C-N-CA 119.771 -0.772 . . . . 0.0 110.934 178.184 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.533 ' HG3' HD21 ' A' ' 38' ' ' LEU . 58.0 mtpt -59.53 -46.39 89.01 Favored 'General case' 0 C--N 1.325 -0.466 0 C-N-CA 122.821 0.448 . . . . 0.0 110.653 176.773 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.64 -26.94 64.65 Favored 'General case' 0 C--O 1.247 0.973 0 CA-C-O 121.36 0.6 . . . . 0.0 111.135 -179.584 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . 0.469 ' O ' ' HG ' ' A' ' 20' ' ' LEU . 35.4 tt0 -76.26 -44.46 37.15 Favored 'General case' 0 CA--C 1.501 -0.912 0 N-CA-C 107.949 -1.13 . . . . 0.0 107.949 -176.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.494 ' O ' HG23 ' A' ' 21' ' ' VAL . 20.3 mt -57.61 -45.29 85.52 Favored 'General case' 0 N--CA 1.431 -1.41 0 CA-C-N 114.915 -1.038 . . . . 0.0 112.583 177.292 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.461 HG13 ' O ' ' A' ' 14' ' ' LYS . 78.1 mt -56.47 -45.24 81.89 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.623 0 N-CA-C 109.892 -0.41 . . . . 0.0 109.892 178.592 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 72.8 t80 -64.73 -47.63 77.57 Favored 'General case' 0 C--O 1.246 0.885 0 CA-C-N 115.449 -0.796 . . . . 0.0 111.16 178.135 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.469 ' HG ' ' O ' ' A' ' 16' ' ' GLU . 92.2 mt -64.55 -41.52 96.28 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.928 -0.578 . . . . 0.0 112.181 -177.757 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.494 HG23 ' O ' ' A' ' 17' ' ' LEU . 69.6 t -57.19 -42.36 79.69 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.359 0 CA-C-O 121.034 0.445 . . . . 0.0 110.189 176.721 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 23.8 mm-40 -68.78 -40.7 79.54 Favored 'General case' 0 C--N 1.308 -1.236 0 N-CA-C 113.398 0.888 . . . . 0.0 113.398 179.715 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 38.9 ttpt -79.11 -45.17 20.58 Favored 'General case' 0 N--CA 1.417 -2.112 0 N-CA-C 112.495 0.554 . . . . 0.0 112.495 -177.942 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 96.7 m-85 -93.96 -38.39 11.2 Favored 'General case' 0 C--N 1.317 -0.815 0 N-CA-C 113.116 0.784 . . . . 0.0 113.116 -175.891 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 118.09 169.12 14.6 Favored Glycine 0 C--N 1.304 -1.242 0 N-CA-C 111.23 -0.748 . . . . 0.0 111.23 -177.383 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 95.8 m-85 -77.72 -34.67 52.57 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-O 121.005 0.431 . . . . 0.0 110.855 -178.637 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 27.7 p -84.66 -5.49 59.31 Favored 'General case' 0 C--N 1.311 -1.103 0 CA-C-N 115.697 -0.683 . . . . 0.0 112.621 -173.314 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 21.8 t60 -75.32 124.26 26.79 Favored 'General case' 0 N--CA 1.435 -1.195 0 N-CA-C 109.004 -0.739 . . . . 0.0 109.004 -175.517 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 17.0 t60 -58.1 -33.56 69.24 Favored 'General case' 0 N--CA 1.472 0.668 0 C-N-CA 123.522 0.729 . . . . 0.0 112.831 -171.296 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 47.3 mmtm -58.23 -45.34 87.88 Favored 'General case' 0 N--CA 1.469 0.517 0 C-N-CA 120.846 -0.341 . . . . 0.0 110.3 177.615 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 94.5 t -61.79 -41.55 91.06 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.642 0 CA-C-N 115.719 -0.673 . . . . 0.0 109.862 -178.949 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.429 ' O ' ' HG2' ' A' ' 36' ' ' GLN . 38.3 mm -61.21 -50.58 79.91 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.769 0 CA-C-N 115.246 -0.888 . . . . 0.0 108.776 177.613 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 38.1 t -53.49 -49.86 66.59 Favored 'General case' 0 C--N 1.316 -0.882 0 CA-C-N 114.955 -1.02 . . . . 0.0 111.738 178.615 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . 0.45 ' HB2' HD21 ' A' ' 17' ' ' LEU . 36.9 m-85 -64.13 -35.09 79.63 Favored 'General case' 0 C--O 1.241 0.625 0 CA-C-O 121.281 0.563 . . . . 0.0 110.424 179.621 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 29.8 t -69.3 -31.38 69.83 Favored 'General case' 0 CA--C 1.551 1.012 0 CA-C-N 115.417 -0.81 . . . . 0.0 110.885 179.122 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . 0.429 ' HG2' ' O ' ' A' ' 32' ' ' ILE . 30.8 mm-40 -63.86 -41.0 97.88 Favored 'General case' 0 C--O 1.242 0.686 0 N-CA-C 109.789 -0.449 . . . . 0.0 109.789 176.215 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . 0.474 ' O ' ' HG ' ' A' ' 41' ' ' LEU . 28.5 tt0 -66.18 -42.72 88.5 Favored 'General case' 0 C--O 1.222 -0.381 0 CA-C-N 115.443 -0.799 . . . . 0.0 109.486 178.357 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.533 HD21 ' HG3' ' A' ' 14' ' ' LYS . 3.4 tm? -55.54 -52.22 64.42 Favored 'General case' 0 C--O 1.239 0.536 0 CA-C-N 115.578 -0.737 . . . . 0.0 109.876 -179.773 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 22.6 t70 -60.53 -36.04 77.45 Favored 'General case' 0 C--N 1.318 -0.793 0 CA-C-N 115.47 -0.787 . . . . 0.0 111.179 179.231 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . 0.418 ' O ' ' HG ' ' A' ' 44' ' ' LEU . 42.6 ttm180 -67.25 -44.59 79.02 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.422 179.358 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.474 ' HG ' ' O ' ' A' ' 37' ' ' GLU . 93.5 mt -60.63 -43.11 97.89 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.87 -0.604 . . . . 0.0 110.426 178.76 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 51.3 tp -62.92 -42.07 99.67 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.75 -0.659 . . . . 0.0 109.88 177.555 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 21.8 t-20 -63.43 -30.15 71.32 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 115.246 -0.888 . . . . 0.0 111.055 -177.91 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.418 ' HG ' ' O ' ' A' ' 40' ' ' ARG . 96.1 mt -60.65 -46.99 88.24 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.889 177.121 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 98.6 mt -61.8 -43.83 98.06 Favored 'General case' 0 CA--C 1.514 -0.433 0 CA-C-O 121.311 0.576 . . . . 0.0 109.576 179.134 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 74.5 mt -62.1 -39.26 83.21 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.855 0 CA-C-N 115.004 -0.998 . . . . 0.0 110.48 179.839 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 32.3 tt0 . . . . . 0 C--N 1.322 -0.63 0 C-N-CA 122.579 0.352 . . . . 0.0 110.627 179.703 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 35.8 m . . . . . 0 C--O 1.236 0.389 0 CA-C-O 121.203 0.525 . . . . 0.0 111.21 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 8.5 t -65.4 -28.49 69.29 Favored 'General case' 0 CA--C 1.549 0.938 0 CA-C-N 115.943 -0.571 . . . . 0.0 111.882 -176.794 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . 0.459 ' O ' ' HG3' ' A' ' 9' ' ' ARG . 0.0 OUTLIER -72.82 -28.69 62.71 Favored 'General case' 0 C--O 1.22 -0.452 0 CA-C-O 121.741 0.781 . . . . 0.0 110.101 179.958 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.418 ' O ' HG13 ' A' ' 10' ' ' ILE . 36.6 tp -72.71 -42.0 64.64 Favored 'General case' 0 N--CA 1.442 -0.875 0 CA-C-N 115.168 -0.924 . . . . 0.0 108.602 178.438 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 8.5 t30 -66.67 -31.72 72.57 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.546 -0.752 . . . . 0.0 110.082 179.533 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 14.6 t70 -66.82 -41.1 88.03 Favored 'General case' 0 N--CA 1.473 0.705 0 CA-C-N 115.569 -0.742 . . . . 0.0 110.07 175.697 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . 0.459 ' HG3' ' O ' ' A' ' 5' ' ' LYS . 77.1 mtp180 -67.16 -35.73 80.3 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.351 178.044 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.418 HG13 ' O ' ' A' ' 6' ' ' LEU . 70.1 mt -58.29 -40.91 79.67 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.751 0 N-CA-C 109.475 -0.565 . . . . 0.0 109.475 174.54 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . 0.488 ' HA ' ' HD3' ' A' ' 14' ' ' LYS . 5.6 tp10 -58.77 -42.55 89.23 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.316 -178.379 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -69.05 -34.01 74.51 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.894 179.549 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 32.6 mmmt -75.37 -35.57 61.07 Favored 'General case' 0 C--N 1.318 -0.803 0 CA-C-N 115.994 -0.548 . . . . 0.0 111.231 179.914 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.488 ' HD3' ' HA ' ' A' ' 11' ' ' GLU . 50.1 mtpt -60.14 -53.28 59.64 Favored 'General case' 0 C--N 1.327 -0.376 0 C-N-CA 122.946 0.498 . . . . 0.0 110.197 177.012 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 57.0 mtpt -62.17 -39.44 92.65 Favored 'General case' 0 C--O 1.243 0.713 0 CA-C-N 115.861 -0.609 . . . . 0.0 111.014 -178.171 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . 0.446 ' O ' ' HG ' ' A' ' 20' ' ' LEU . 44.0 tt0 -61.71 -49.32 76.94 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.417 -0.81 . . . . 0.0 110.043 177.942 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.508 ' O ' HG23 ' A' ' 21' ' ' VAL . 56.9 tp -62.01 -45.96 91.31 Favored 'General case' 0 N--CA 1.443 -0.817 0 CA-C-N 115.779 -0.646 . . . . 0.0 110.7 -179.367 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.457 HG13 ' O ' ' A' ' 14' ' ' LYS . 88.3 mt -54.1 -45.76 66.02 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.864 0 O-C-N 123.293 0.371 . . . . 0.0 110.533 178.723 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 86.9 t80 -60.47 -43.37 96.99 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.209 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.446 ' HG ' ' O ' ' A' ' 16' ' ' GLU . 68.0 mt -72.17 -34.54 68.54 Favored 'General case' 0 C--N 1.31 -1.126 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.815 -178.343 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.508 HG23 ' O ' ' A' ' 17' ' ' LEU . 79.3 t -66.39 -36.99 78.68 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.832 0 N-CA-C 109.53 -0.544 . . . . 0.0 109.53 176.717 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 11.0 mm-40 -68.8 -49.32 59.51 Favored 'General case' 0 C--N 1.317 -0.828 0 N-CA-C 112.741 0.645 . . . . 0.0 112.741 175.814 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 75.2 mmtt -82.0 -48.53 11.33 Favored 'General case' 0 C--N 1.319 -0.744 0 N-CA-C 113.328 0.862 . . . . 0.0 113.328 -174.227 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 24.7 m-85 -87.96 -45.82 9.9 Favored 'General case' 0 C--N 1.31 -1.124 0 CA-C-O 121.558 0.694 . . . . 0.0 110.13 -176.884 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 109.44 168.52 20.3 Favored Glycine 0 N--CA 1.434 -1.482 0 CA-C-N 115.327 -0.851 . . . . 0.0 111.4 -179.919 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 37.3 p90 -85.33 166.43 16.46 Favored 'General case' 0 C--N 1.302 -1.459 0 O-C-N 122.93 -0.159 . . . . 0.0 110.715 -179.598 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 5.1 m 64.64 25.84 13.13 Favored 'General case' 0 CA--C 1.565 1.552 0 CA-C-O 122.577 1.18 . . . . 0.0 110.803 -179.654 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 61.2 t60 -105.76 137.17 44.08 Favored 'General case' 0 C--N 1.316 -0.884 0 N-CA-C 107.0 -1.481 . . . . 0.0 107.0 176.045 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 58.5 m80 -50.35 -45.26 54.94 Favored 'General case' 0 N--CA 1.491 1.606 0 N-CA-C 114.292 1.219 . . . . 0.0 114.292 -173.635 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 67.6 mttm -61.41 -52.39 64.76 Favored 'General case' 0 C--N 1.33 -0.266 0 N-CA-C 109.503 -0.554 . . . . 0.0 109.503 178.36 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 92.1 t -56.86 -40.1 69.24 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.637 0 CA-C-N 115.511 -0.768 . . . . 0.0 111.448 -178.457 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 79.3 mt -62.04 -42.49 95.15 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.628 0 CA-C-O 120.953 0.406 . . . . 0.0 110.212 177.391 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 27.7 m -63.33 -42.04 98.94 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.969 179.135 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . 0.436 ' HB2' HD13 ' A' ' 17' ' ' LEU . 89.8 m-85 -65.97 -37.54 86.24 Favored 'General case' 0 C--O 1.223 -0.326 0 CA-C-O 120.691 0.281 . . . . 0.0 110.872 177.079 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 43.4 m -62.93 -38.44 91.01 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-O 121.152 0.501 . . . . 0.0 110.015 178.259 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 49.2 mt-30 -63.92 -36.28 83.43 Favored 'General case' 0 N--CA 1.454 -0.249 0 CA-C-N 115.693 -0.685 . . . . 0.0 110.33 175.377 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 41.0 mt-10 -62.65 -50.59 70.6 Favored 'General case' 0 C--O 1.219 -0.521 0 N-CA-C 110.399 -0.223 . . . . 0.0 110.399 176.615 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -57.39 -48.3 79.42 Favored 'General case' 0 CA--C 1.514 -0.41 0 N-CA-C 112.563 0.579 . . . . 0.0 112.563 -179.816 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 25.8 t70 -59.52 -46.07 89.91 Favored 'General case' 0 C--O 1.242 0.667 0 O-C-N 123.511 0.507 . . . . 0.0 111.556 179.91 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . 0.545 ' O ' ' HG ' ' A' ' 44' ' ' LEU . 90.6 mtm180 -66.82 -46.16 76.02 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-N 115.977 -0.556 . . . . 0.0 111.903 -179.226 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 10.9 mp -63.6 -41.38 98.34 Favored 'General case' 0 C--O 1.219 -0.524 0 N-CA-C 111.695 0.257 . . . . 0.0 111.695 179.159 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 66.5 tp -58.71 -45.99 88.33 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 121.525 0.678 . . . . 0.0 110.083 176.709 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 33.2 m-80 -70.73 -16.95 62.82 Favored 'General case' 0 C--N 1.317 -0.812 0 N-CA-C 113.198 0.814 . . . . 0.0 113.198 -179.602 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.545 ' HG ' ' O ' ' A' ' 40' ' ' ARG . 69.1 mt -65.44 -32.19 73.69 Favored 'General case' 0 C--N 1.322 -0.623 0 N-CA-C 111.562 0.208 . . . . 0.0 111.562 176.595 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 7.0 mp -68.61 -37.04 79.46 Favored 'General case' 0 C--O 1.242 0.707 0 CA-C-O 121.478 0.656 . . . . 0.0 109.665 177.074 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 2.0 mp -71.15 -38.07 69.34 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.815 0 CA-C-N 114.831 -1.077 . . . . 0.0 109.476 178.268 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . 0.486 ' HB3' ' O ' ' A' ' 44' ' ' LEU . 20.5 tp10 . . . . . 0 C--N 1.325 -0.482 0 C-N-CA 125.569 1.548 . . . . 0.0 111.58 -179.111 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 27.3 m . . . . . 0 N--CA 1.473 0.69 0 CA-C-O 121.405 0.621 . . . . 0.0 112.59 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 13.8 t -60.58 -26.75 67.19 Favored 'General case' 0 CA--C 1.559 1.325 0 CA-C-N 115.855 -0.611 . . . . 0.0 112.205 -176.64 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 22.7 pttp -64.57 -37.3 87.09 Favored 'General case' 0 N--CA 1.466 0.363 0 CA-C-O 120.619 0.247 . . . . 0.0 111.274 177.629 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.506 ' O ' HG13 ' A' ' 10' ' ' ILE . 51.5 tp -69.84 -43.07 72.72 Favored 'General case' 0 N--CA 1.446 -0.654 0 N-CA-C 109.046 -0.724 . . . . 0.0 109.046 -178.861 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 25.7 t-20 -56.83 -40.61 76.37 Favored 'General case' 0 C--O 1.238 0.463 0 CA-C-N 115.144 -0.935 . . . . 0.0 110.562 179.448 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 23.4 t70 -70.56 -42.54 70.98 Favored 'General case' 0 N--CA 1.47 0.542 0 CA-C-N 115.308 -0.86 . . . . 0.0 111.829 -179.557 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -65.28 -29.75 70.54 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.517 -179.567 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.506 HG13 ' O ' ' A' ' 6' ' ' LEU . 99.6 mt -63.35 -52.84 53.25 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 N-CA-C 109.099 -0.704 . . . . 0.0 109.099 173.906 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . 0.419 ' O ' ' HG3' ' A' ' 15' ' ' LYS . 45.8 mm-40 -59.56 -41.97 91.37 Favored 'General case' 0 CA--C 1.508 -0.67 0 CA-C-N 115.936 -0.575 . . . . 0.0 111.903 -178.593 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -62.15 -37.62 85.89 Favored 'General case' 0 C--N 1.311 -1.104 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.887 177.467 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.409 ' HE3' ' HA ' ' A' ' 13' ' ' LYS . 2.2 tpmt? -68.82 -44.1 74.22 Favored 'General case' 0 N--CA 1.463 0.201 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.22 -177.885 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.499 ' O ' HG13 ' A' ' 18' ' ' ILE . 8.4 ptmm? -70.03 -33.43 71.98 Favored 'General case' 0 C--N 1.318 -0.789 0 N-CA-C 112.436 0.532 . . . . 0.0 112.436 179.318 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . 0.419 ' HG3' ' O ' ' A' ' 11' ' ' GLU . 55.2 mtpt -65.47 -40.69 93.45 Favored 'General case' 0 C--O 1.242 0.673 0 C-N-CA 120.648 -0.421 . . . . 0.0 110.325 175.602 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . 0.423 ' O ' ' HG ' ' A' ' 20' ' ' LEU . 17.5 tp10 -60.95 -47.12 87.91 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 108.398 -0.964 . . . . 0.0 108.398 175.468 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.508 ' O ' HG23 ' A' ' 21' ' ' VAL . 47.6 tp -60.09 -42.08 93.85 Favored 'General case' 0 C--O 1.221 -0.403 0 CA-C-N 115.381 -0.827 . . . . 0.0 111.772 -179.31 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.499 HG13 ' O ' ' A' ' 14' ' ' LYS . 77.9 mt -53.77 -46.73 63.02 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.903 0 CA-C-O 121.249 0.547 . . . . 0.0 110.164 177.154 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 74.0 t80 -67.98 -39.06 83.38 Favored 'General case' 0 C--N 1.313 -1.017 0 CA-C-N 114.85 -1.068 . . . . 0.0 110.327 -179.311 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.423 ' HG ' ' O ' ' A' ' 16' ' ' GLU . 96.0 mt -65.71 -34.65 78.68 Favored 'General case' 0 C--N 1.314 -0.95 0 CA-C-N 115.937 -0.574 . . . . 0.0 112.0 179.141 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.508 HG23 ' O ' ' A' ' 17' ' ' LEU . 54.7 t -66.86 -33.14 61.47 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.802 0 CA-C-O 121.561 0.696 . . . . 0.0 109.27 175.575 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -68.84 -37.76 79.37 Favored 'General case' 0 C--N 1.3 -1.558 0 O-C-N 121.689 -0.632 . . . . 0.0 111.545 175.723 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 32.0 mmmt -82.05 -48.38 11.46 Favored 'General case' 0 C--N 1.321 -0.672 0 N-CA-C 112.773 0.657 . . . . 0.0 112.773 -177.187 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 59.8 m-85 -90.7 -47.29 7.74 Favored 'General case' 0 C--N 1.313 -1.004 0 CA-C-O 121.247 0.546 . . . . 0.0 110.405 -179.532 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . 0.489 ' HA2' ' O ' ' A' ' 21' ' ' VAL . . . 98.56 -123.63 7.94 Favored Glycine 0 C--N 1.293 -1.853 0 CA-C-N 115.736 -0.665 . . . . 0.0 111.735 -178.601 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 72.5 m-85 -119.31 -178.18 3.53 Favored 'General case' 0 C--N 1.292 -1.916 0 N-CA-C 108.241 -1.022 . . . . 0.0 108.241 -178.637 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 77.7 p 57.13 13.07 1.47 Allowed 'General case' 0 N--CA 1.476 0.851 0 C-N-CA 125.764 1.626 . . . . 0.0 114.12 -178.608 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 47.4 m80 -102.66 117.52 34.84 Favored 'General case' 0 CA--C 1.486 -1.484 0 O-C-N 122.223 -0.298 . . . . 0.0 110.736 -177.847 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 63.7 m80 -60.85 -26.33 67.3 Favored 'General case' 0 C--N 1.316 -0.884 0 CA-C-N 115.567 -0.742 . . . . 0.0 111.492 179.789 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 46.2 mtpt -60.97 -49.14 78.66 Favored 'General case' 0 C--O 1.216 -0.679 0 N-CA-C 109.561 -0.533 . . . . 0.0 109.561 174.655 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 59.6 t -66.37 -38.69 82.34 Favored 'Isoleucine or valine' 0 C--O 1.24 0.568 0 CA-C-N 115.97 -0.559 . . . . 0.0 109.821 -178.713 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 70.2 mt -60.3 -44.69 96.31 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.636 0 CA-C-N 115.745 -0.661 . . . . 0.0 110.582 177.591 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 11.3 p -70.27 -36.38 74.39 Favored 'General case' 0 N--CA 1.446 -0.63 0 N-CA-C 112.132 0.419 . . . . 0.0 112.132 178.737 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 25.6 m-85 -64.2 -37.01 85.94 Favored 'General case' 0 N--CA 1.471 0.599 0 CA-C-O 120.914 0.388 . . . . 0.0 110.113 176.295 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 58.8 m -63.45 -43.08 98.39 Favored 'General case' 0 N--CA 1.447 -0.592 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.347 176.911 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 49.4 mt-30 -64.24 -32.05 73.48 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.079 -0.51 . . . . 0.0 111.089 179.017 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . 0.47 ' O ' ' HG ' ' A' ' 41' ' ' LEU . 20.3 mm-40 -69.32 -50.03 50.33 Favored 'General case' 0 C--N 1.32 -0.701 0 N-CA-C 110.065 -0.346 . . . . 0.0 110.065 174.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -59.58 -48.19 82.61 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.914 -179.074 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 34.5 t70 -60.39 -40.97 92.8 Favored 'General case' 0 C--N 1.318 -0.802 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.841 -178.81 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . 0.474 ' O ' ' HG ' ' A' ' 44' ' ' LEU . 30.8 tpt180 -69.32 -38.36 78.19 Favored 'General case' 0 CA--C 1.537 0.444 0 CA-C-N 116.41 -0.359 . . . . 0.0 111.09 178.021 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.47 ' HG ' ' O ' ' A' ' 37' ' ' GLU . 94.8 mt -62.12 -43.44 98.82 Favored 'General case' 0 N--CA 1.468 0.474 0 CA-C-O 120.742 0.306 . . . . 0.0 110.26 177.426 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.4 ' HA ' HD13 ' A' ' 10' ' ' ILE . 56.6 tp -63.64 -41.17 98.27 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 121.866 0.841 . . . . 0.0 109.509 176.582 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 20.3 t-20 -65.73 -27.03 68.02 Favored 'General case' 0 C--N 1.308 -1.215 0 CA-C-N 114.512 -1.222 . . . . 0.0 111.317 -178.613 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.474 ' HG ' ' O ' ' A' ' 40' ' ' ARG . 84.4 mt -59.44 -37.01 77.01 Favored 'General case' 0 N--CA 1.466 0.346 0 C-N-CA 122.594 0.358 . . . . 0.0 111.283 177.672 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 90.6 mt -63.65 -50.91 67.42 Favored 'General case' 0 CA--C 1.513 -0.475 0 N-CA-C 108.999 -0.741 . . . . 0.0 108.999 177.947 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 67.5 mt -58.69 -49.63 81.96 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.673 0 CA-C-N 114.729 -1.123 . . . . 0.0 110.11 -178.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 43.2 tt0 . . . . . 0 C--N 1.321 -0.651 0 CA-C-N 115.704 -0.68 . . . . 0.0 110.709 179.192 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 29.5 m . . . . . 0 CA--C 1.541 0.607 0 N-CA-C 112.973 0.731 . . . . 0.0 112.973 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 11.9 t -59.39 -28.91 67.31 Favored 'General case' 0 C--N 1.313 -1.012 0 O-C-N 122.218 -0.301 . . . . 0.0 111.613 178.685 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 15.3 ptmm? -67.81 -28.65 67.76 Favored 'General case' 0 N--CA 1.47 0.558 0 CA-C-O 121.478 0.656 . . . . 0.0 110.508 179.65 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.436 ' O ' HG13 ' A' ' 10' ' ' ILE . 30.2 tp -75.55 -31.37 60.03 Favored 'General case' 0 N--CA 1.441 -0.915 0 N-CA-C 108.336 -0.987 . . . . 0.0 108.336 178.389 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 32.6 m-80 -68.54 -33.08 73.48 Favored 'General case' 0 CA--C 1.508 -0.668 0 CA-C-N 115.486 -0.779 . . . . 0.0 110.329 177.062 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 16.5 t70 -58.15 -43.25 87.27 Favored 'General case' 0 C--O 1.239 0.537 0 N-CA-C 108.707 -0.849 . . . . 0.0 108.707 174.673 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . 0.438 ' O ' ' HG2' ' A' ' 13' ' ' LYS . 96.9 mtt180 -65.46 -42.96 91.76 Favored 'General case' 0 C--O 1.205 -1.262 0 CA-C-N 115.29 -0.868 . . . . 0.0 111.27 175.115 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.436 HG13 ' O ' ' A' ' 6' ' ' LEU . 68.3 mt -55.31 -53.39 35.89 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.594 0 O-C-N 123.18 0.3 . . . . 0.0 110.469 179.85 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 65.1 mm-40 -56.32 -43.85 79.38 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 123.603 0.565 . . . . 0.0 110.954 177.166 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -64.26 -38.47 91.16 Favored 'General case' 0 C--N 1.315 -0.906 0 CA-C-N 115.778 -0.646 . . . . 0.0 111.544 -179.56 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.448 ' HG3' HD11 ' A' ' 41' ' ' LEU . 3.6 mmmp? -74.98 -30.7 61.26 Favored 'General case' 0 C--O 1.215 -0.723 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.537 -177.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.443 ' O ' HG13 ' A' ' 18' ' ' ILE . 26.9 mtpp -66.55 -45.85 78.03 Favored 'General case' 0 C--N 1.318 -0.799 0 CA-C-N 116.171 -0.468 . . . . 0.0 109.976 174.474 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 60.7 mtpt -64.19 -37.2 86.6 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 121.343 0.592 . . . . 0.0 110.016 177.338 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 36.0 tt0 -62.86 -46.91 85.67 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 115.404 -0.817 . . . . 0.0 109.354 175.471 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.455 ' O ' HG23 ' A' ' 21' ' ' VAL . 1.2 tt -59.15 -45.91 89.73 Favored 'General case' 0 C--N 1.324 -0.52 0 C-N-CA 123.896 0.878 . . . . 0.0 109.526 -178.853 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.443 HG13 ' O ' ' A' ' 14' ' ' LYS . 82.3 mt -57.13 -47.55 83.68 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.63 0 CA-C-O 120.897 0.38 . . . . 0.0 110.052 177.625 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 73.1 t80 -59.78 -43.66 94.26 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.75 -0.659 . . . . 0.0 110.373 177.18 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 95.6 mt -61.86 -40.44 95.35 Favored 'General case' 0 C--N 1.316 -0.886 0 CA-C-N 115.862 -0.608 . . . . 0.0 111.675 178.632 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.455 HG23 ' O ' ' A' ' 17' ' ' LEU . 77.6 t -63.14 -40.55 89.48 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.564 0 N-CA-C 109.734 -0.469 . . . . 0.0 109.734 176.595 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 57.0 mm-40 -61.2 -35.27 76.71 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.035 -0.529 . . . . 0.0 111.537 176.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 13.6 mmmm -81.79 -48.72 11.25 Favored 'General case' 0 C--N 1.314 -0.945 0 CA-C-O 120.868 0.366 . . . . 0.0 111.132 -178.484 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . 0.463 ' HB3' ' NE2' ' A' ' 28' ' ' HIS . 68.5 m-85 -77.39 -43.39 32.85 Favored 'General case' 0 C--N 1.306 -1.308 0 N-CA-C 113.33 0.863 . . . . 0.0 113.33 -174.505 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 128.94 -97.04 0.41 Allowed Glycine 0 N--CA 1.433 -1.52 0 C-N-CA 120.294 -0.955 . . . . 0.0 113.168 177.716 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 78.3 m-85 -117.99 -173.87 2.53 Favored 'General case' 0 C--N 1.3 -1.585 0 O-C-N 122.526 -0.396 . . . . 0.0 111.581 -177.055 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 1.8 m -79.7 68.78 5.86 Favored 'General case' 0 N--CA 1.432 -1.338 0 CA-C-O 121.695 0.76 . . . . 0.0 112.64 -170.582 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' HIS . . . . . 0.559 ' O ' HG12 ' A' ' 32' ' ' ILE . 2.0 p-80 -92.03 -176.86 4.53 Favored 'General case' 0 C--N 1.293 -1.869 0 CA-C-N 115.14 -0.936 . . . . 0.0 109.542 173.754 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 70.9 t60 -52.72 -40.36 62.94 Favored 'General case' 0 C--O 1.248 0.979 0 N-CA-C 113.583 0.957 . . . . 0.0 113.583 -174.066 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 49.6 mmtm -55.53 -52.76 62.64 Favored 'General case' 0 N--CA 1.47 0.527 0 N-CA-C 110.099 -0.334 . . . . 0.0 110.099 177.305 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 72.0 t -64.14 -36.69 77.77 Favored 'Isoleucine or valine' 0 C--O 1.241 0.616 0 CA-C-N 115.775 -0.648 . . . . 0.0 111.249 -178.173 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.559 HG12 ' O ' ' A' ' 28' ' ' HIS . 42.4 mm -58.79 -50.86 77.86 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.856 0 N-CA-C 108.744 -0.836 . . . . 0.0 108.744 177.009 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 35.6 m -58.22 -41.01 83.15 Favored 'General case' 0 C--N 1.308 -1.223 0 CA-C-N 114.472 -1.24 . . . . 0.0 112.029 179.361 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 19.6 m-85 -68.94 -32.28 71.78 Favored 'General case' 0 C--O 1.239 0.546 0 CA-C-O 121.198 0.523 . . . . 0.0 110.238 179.79 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . 0.445 ' HA ' HD11 ' A' ' 17' ' ' LEU . 27.8 m -71.92 -41.7 67.58 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-N 115.659 -0.7 . . . . 0.0 110.34 179.395 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 80.4 mt-30 -66.42 -31.46 72.23 Favored 'General case' 0 N--CA 1.463 0.187 0 CA-C-N 116.472 -0.331 . . . . 0.0 111.174 177.927 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . 0.478 ' O ' ' HG ' ' A' ' 41' ' ' LEU . 8.0 tp10 -60.42 -38.97 85.73 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 109.056 -0.72 . . . . 0.0 109.056 175.788 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.419 HD21 ' HG3' ' A' ' 14' ' ' LYS . 3.0 tm? -69.99 -43.57 71.17 Favored 'General case' 0 N--CA 1.438 -1.041 0 CA-C-N 115.455 -0.793 . . . . 0.0 109.875 -177.844 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 36.2 m-20 -62.75 -34.96 78.28 Favored 'General case' 0 N--CA 1.472 0.653 0 CA-C-O 120.89 0.376 . . . . 0.0 110.5 177.491 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 40.2 ttm180 -61.45 -40.3 93.98 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.516 -0.765 . . . . 0.0 110.334 176.834 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.478 ' HG ' ' O ' ' A' ' 37' ' ' GLU . 89.4 mt -65.63 -35.16 79.98 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-O 121.037 0.446 . . . . 0.0 110.377 178.702 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 67.0 tp -65.72 -41.52 92.16 Favored 'General case' 0 C--N 1.32 -0.707 0 N-CA-C 108.835 -0.802 . . . . 0.0 108.835 175.571 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 14.9 m120 -61.19 -30.5 70.46 Favored 'General case' 0 N--CA 1.471 0.615 0 CA-C-N 115.536 -0.757 . . . . 0.0 110.543 177.112 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.437 ' O ' ' HB3' ' A' ' 47' ' ' GLU . 82.3 mt -68.25 -31.36 70.79 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.536 178.042 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 95.3 mt -71.18 -35.88 71.75 Favored 'General case' 0 N--CA 1.472 0.649 0 CA-C-O 121.959 0.885 . . . . 0.0 109.201 174.773 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 76.5 mt -69.68 -26.16 30.13 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.867 0 CA-C-N 114.772 -1.104 . . . . 0.0 110.413 179.077 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . 0.437 ' HB3' ' O ' ' A' ' 44' ' ' LEU . 9.5 tp10 . . . . . 0 CA--C 1.545 0.787 0 C-N-CA 123.868 0.867 . . . . 0.0 110.866 178.085 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 31.1 m . . . . . 0 C--O 1.236 0.374 0 N-CA-C 112.935 0.717 . . . . 0.0 112.935 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 13.3 t -67.78 -40.0 84.03 Favored 'General case' 0 N--CA 1.438 -1.056 0 C-N-CA 120.328 -0.549 . . . . 0.0 110.462 -179.648 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . 0.405 ' HD2' ' HA ' ' A' ' 5' ' ' LYS . 28.9 mmmt -78.16 -27.64 48.12 Favored 'General case' 0 CA--C 1.506 -0.726 0 O-C-N 122.237 -0.289 . . . . 0.0 111.515 178.03 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.467 ' O ' HG13 ' A' ' 10' ' ' ILE . 29.4 tp -64.74 -49.34 71.17 Favored 'General case' 0 C--N 1.315 -0.909 0 N-CA-C 109.358 -0.608 . . . . 0.0 109.358 176.475 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 2.7 t-20 -61.55 -39.94 92.93 Favored 'General case' 0 C--O 1.238 0.488 0 CA-C-O 121.36 0.6 . . . . 0.0 109.825 177.552 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 25.8 t70 -61.08 -45.95 92.63 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-N 114.983 -1.008 . . . . 0.0 111.7 177.609 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . 0.454 ' O ' ' HG2' ' A' ' 13' ' ' LYS . 7.7 ptm180 -70.04 -26.77 64.19 Favored 'General case' 0 C--O 1.224 -0.284 0 C-N-CA 120.729 -0.388 . . . . 0.0 110.751 -179.212 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.467 HG13 ' O ' ' A' ' 6' ' ' LEU . 72.2 mt -64.05 -42.04 94.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 CA-C-O 120.889 0.376 . . . . 0.0 110.098 175.432 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 35.8 tt0 -62.8 -38.35 90.32 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-O 121.629 0.728 . . . . 0.0 109.224 178.139 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -66.87 -27.55 67.61 Favored 'General case' 0 C--N 1.317 -0.827 0 CA-C-N 115.038 -0.983 . . . . 0.0 111.136 178.651 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.454 ' HG2' ' O ' ' A' ' 9' ' ' ARG . 32.1 mmmt -72.5 -38.49 68.11 Favored 'General case' 0 CA--C 1.501 -0.916 0 N-CA-C 109.088 -0.708 . . . . 0.0 109.088 179.137 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.589 ' O ' HG13 ' A' ' 18' ' ' ILE . 63.4 mttm -59.7 -42.99 94.25 Favored 'General case' 0 C--N 1.312 -1.062 0 CA-C-N 115.397 -0.82 . . . . 0.0 110.655 177.754 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 14.3 mmmm -67.31 -27.67 67.35 Favored 'General case' 0 C--O 1.246 0.917 0 CA-C-O 121.435 0.636 . . . . 0.0 111.019 -179.107 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . 0.53 ' O ' ' HG ' ' A' ' 20' ' ' LEU . 41.1 tt0 -71.9 -48.96 41.89 Favored 'General case' 0 C--N 1.31 -1.14 0 N-CA-C 107.455 -1.313 . . . . 0.0 107.455 179.671 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.414 ' O ' HG23 ' A' ' 21' ' ' VAL . 3.8 mm? -59.99 -46.64 88.8 Favored 'General case' 0 N--CA 1.443 -0.778 0 CA-C-N 114.494 -1.23 . . . . 0.0 112.421 177.352 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.589 HG13 ' O ' ' A' ' 14' ' ' LYS . 78.8 mt -53.13 -44.78 52.68 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.719 0 CA-C-O 120.778 0.323 . . . . 0.0 110.76 179.578 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 63.0 t80 -63.22 -46.03 88.88 Favored 'General case' 0 C--O 1.239 0.528 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.932 177.302 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.53 ' HG ' ' O ' ' A' ' 16' ' ' GLU . 87.0 mt -66.97 -39.04 87.13 Favored 'General case' 0 C--N 1.311 -1.084 0 CA-C-N 115.892 -0.594 . . . . 0.0 112.109 -176.206 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.414 HG23 ' O ' ' A' ' 17' ' ' LEU . 88.2 t -64.03 -36.1 75.74 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.671 0 CA-C-O 121.084 0.469 . . . . 0.0 110.643 178.78 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 53.7 mm-40 -68.85 -41.15 78.85 Favored 'General case' 0 C--N 1.314 -0.96 0 CA-C-O 121.107 0.48 . . . . 0.0 111.399 176.939 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 32.5 mmmt -82.53 -47.88 11.66 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 113.699 1.0 . . . . 0.0 113.699 -175.409 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 75.4 m-85 -104.02 -40.37 6.22 Favored 'General case' 0 C--N 1.308 -1.233 0 CA-C-O 121.418 0.628 . . . . 0.0 110.563 -175.36 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 116.02 -160.55 13.29 Favored Glycine 0 N--CA 1.428 -1.877 0 N-CA-C 110.396 -1.081 . . . . 0.0 110.396 -176.236 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 47.2 p90 -104.34 -5.47 21.74 Favored 'General case' 0 C--N 1.305 -1.329 0 CA-C-O 121.432 0.634 . . . . 0.0 110.077 179.791 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 27.6 m -113.18 80.96 1.42 Allowed 'General case' 0 N--CA 1.417 -2.076 0 CA-C-O 121.483 0.658 . . . . 0.0 109.302 179.721 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' HIS . . . . . 0.419 ' O ' HG22 ' A' ' 31' ' ' VAL . 7.0 t60 -157.65 141.51 15.84 Favored 'General case' 0 C--N 1.307 -1.257 0 N-CA-C 105.519 -2.03 . . . . 0.0 105.519 175.218 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 11.4 t-80 -63.16 -33.6 75.81 Favored 'General case' 0 C--N 1.326 -0.431 0 C-N-CA 119.328 -0.949 . . . . 0.0 112.115 -174.727 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 44.0 mmtm -50.72 -58.69 5.28 Favored 'General case' 0 N--CA 1.468 0.427 0 O-C-N 123.244 0.34 . . . . 0.0 110.979 174.027 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.439 HG12 ' HB3' ' A' ' 20' ' ' LEU . 22.4 m -62.16 -36.39 74.09 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.261 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.927 -175.684 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 72.6 mt -67.76 -38.29 80.0 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.728 0 CA-C-O 121.19 0.519 . . . . 0.0 109.998 178.875 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 49.2 m -65.92 -45.46 81.84 Favored 'General case' 0 C--N 1.315 -0.917 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.308 178.716 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 61.0 m-85 -68.55 -33.96 75.01 Favored 'General case' 0 CA--C 1.534 0.359 0 CA-C-O 120.728 0.299 . . . . 0.0 110.843 179.059 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 60.1 m -64.27 -36.4 83.97 Favored 'General case' 0 CA--C 1.534 0.331 0 CA-C-O 120.662 0.268 . . . . 0.0 110.561 177.231 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 48.5 mt-30 -63.52 -34.56 78.05 Favored 'General case' 0 C--O 1.235 0.323 0 CA-C-N 116.473 -0.331 . . . . 0.0 111.04 176.217 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -69.5 -44.54 70.86 Favored 'General case' 0 C--O 1.213 -0.857 0 N-CA-C 109.507 -0.553 . . . . 0.0 109.507 176.926 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -56.45 -47.95 78.06 Favored 'General case' 0 N--CA 1.467 0.412 0 N-CA-C 108.78 -0.822 . . . . 0.0 108.78 178.611 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 16.1 t70 -57.51 -49.3 76.77 Favored 'General case' 0 C--N 1.318 -0.775 0 C-N-CA 124.402 1.081 . . . . 0.0 110.924 177.927 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . 0.441 ' O ' ' HG ' ' A' ' 44' ' ' LEU . 38.4 ttm180 -64.58 -46.51 82.4 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 115.15 -0.932 . . . . 0.0 110.804 -177.097 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 10.5 mp -66.99 -36.06 81.34 Favored 'General case' 0 C--N 1.316 -0.851 0 CA-C-N 116.161 -0.472 . . . . 0.0 112.123 -178.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 40.5 tp -61.52 -43.87 98.08 Favored 'General case' 0 C--O 1.244 0.793 0 CA-C-O 121.555 0.693 . . . . 0.0 109.277 175.789 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 3.9 t-20 -62.77 -36.1 81.97 Favored 'General case' 0 C--N 1.317 -0.805 0 CA-C-N 114.828 -1.078 . . . . 0.0 110.448 179.706 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.441 ' HG ' ' O ' ' A' ' 40' ' ' ARG . 86.0 mt -58.78 -42.65 89.5 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.02 -0.536 . . . . 0.0 111.155 177.214 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 67.8 mt -59.85 -42.9 94.65 Favored 'General case' 0 CA--C 1.51 -0.566 0 CA-C-O 120.788 0.328 . . . . 0.0 110.63 177.494 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 71.0 mt -59.4 -50.73 78.8 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.5 0 CA-C-N 115.555 -0.748 . . . . 0.0 109.983 179.911 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 50.0 mt-10 . . . . . 0 C--N 1.321 -0.646 0 N-CA-C 112.663 0.616 . . . . 0.0 112.663 -179.696 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 30.6 m . . . . . 0 CA--C 1.515 -0.376 0 CA-C-O 120.739 0.304 . . . . 0.0 110.637 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 13.5 t -69.25 -39.36 78.51 Favored 'General case' 0 N--CA 1.432 -1.337 0 N-CA-C 109.39 -0.596 . . . . 0.0 109.39 179.077 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 34.4 mmtp -79.38 -29.71 42.21 Favored 'General case' 0 N--CA 1.441 -0.924 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.578 -179.124 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.451 HD23 HD23 ' A' ' 45' ' ' LEU . 24.0 tp -69.54 -40.8 76.64 Favored 'General case' 0 N--CA 1.44 -0.952 0 N-CA-C 108.619 -0.882 . . . . 0.0 108.619 176.613 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 2.7 t-20 -63.13 -39.48 94.8 Favored 'General case' 0 N--CA 1.464 0.272 0 CA-C-N 115.791 -0.64 . . . . 0.0 109.313 175.747 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 25.5 t70 -59.67 -37.48 78.86 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.406 -0.816 . . . . 0.0 111.434 176.04 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 80.2 mtp180 -67.16 -43.21 82.83 Favored 'General case' 0 N--CA 1.467 0.386 0 CA-C-O 121.009 0.433 . . . . 0.0 110.142 176.743 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 80.8 mt -60.12 -44.29 94.8 Favored 'Isoleucine or valine' 0 C--O 1.239 0.547 0 CA-C-N 115.635 -0.711 . . . . 0.0 109.287 177.449 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . 0.493 ' HA ' ' HG2' ' A' ' 14' ' ' LYS . 41.0 tt0 -59.2 -45.57 90.72 Favored 'General case' 0 N--CA 1.435 -1.193 0 CA-C-N 115.2 -0.909 . . . . 0.0 110.623 179.944 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -56.74 -36.41 69.73 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.643 -179.859 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 5.3 mptp? -74.36 -43.21 57.5 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 120.934 0.397 . . . . 0.0 110.778 178.265 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.509 ' O ' HG13 ' A' ' 18' ' ' ILE . 16.8 ptmt -73.3 -28.88 62.34 Favored 'General case' 0 C--N 1.31 -1.116 0 N-CA-C 112.056 0.391 . . . . 0.0 112.056 -176.086 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . 0.454 ' HG2' ' O ' ' A' ' 11' ' ' GLU . 14.1 mmmm -69.25 -34.93 75.55 Favored 'General case' 0 C--O 1.256 1.419 0 CA-C-O 121.374 0.607 . . . . 0.0 109.45 175.194 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . 0.414 ' O ' ' HG ' ' A' ' 20' ' ' LEU . 9.4 tp10 -71.76 -39.28 70.09 Favored 'General case' 0 CA--C 1.505 -0.764 0 N-CA-C 106.665 -1.606 . . . . 0.0 106.665 -178.912 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.458 ' O ' HG23 ' A' ' 21' ' ' VAL . 16.1 mt -54.72 -43.02 72.23 Favored 'General case' 0 C--O 1.205 -1.244 0 CA-C-N 114.694 -1.139 . . . . 0.0 112.191 174.437 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.509 HG13 ' O ' ' A' ' 14' ' ' LYS . 75.0 mt -56.76 -40.23 69.13 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.649 0 N-CA-C 109.762 -0.458 . . . . 0.0 109.762 177.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 54.9 t80 -69.16 -47.05 66.03 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.837 -0.62 . . . . 0.0 110.433 176.267 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.414 ' HG ' ' O ' ' A' ' 16' ' ' GLU . 74.6 mt -61.86 -38.29 87.7 Favored 'General case' 0 C--N 1.314 -0.937 0 C-N-CA 123.292 0.637 . . . . 0.0 112.005 -177.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.458 HG23 ' O ' ' A' ' 17' ' ' LEU . 94.8 t -64.39 -36.85 78.42 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.76 0 CA-C-O 121.389 0.614 . . . . 0.0 110.313 175.766 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . 0.46 ' HG2' ' O ' ' A' ' 18' ' ' ILE . 71.5 mm-40 -68.57 -39.59 80.93 Favored 'General case' 0 C--N 1.315 -0.911 0 CA-C-O 121.53 0.681 . . . . 0.0 110.503 176.319 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 45.7 tttp -77.32 -45.86 24.81 Favored 'General case' 0 N--CA 1.423 -1.794 0 CA-C-N 115.317 -0.856 . . . . 0.0 112.825 -174.593 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 73.9 m-85 -106.48 -17.53 14.24 Favored 'General case' 0 C--N 1.315 -0.926 0 N-CA-C 113.154 0.798 . . . . 0.0 113.154 -174.492 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 106.65 178.12 23.08 Favored Glycine 0 C--N 1.3 -1.446 0 C-N-CA 120.296 -0.954 . . . . 0.0 112.283 179.327 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 65.6 m-85 -89.58 133.41 34.62 Favored 'General case' 0 C--N 1.301 -1.509 0 N-CA-C 108.121 -1.066 . . . . 0.0 108.121 179.185 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 25.2 m 65.65 77.82 0.29 Allowed 'General case' 0 C--N 1.32 -0.715 0 CA-C-O 122.522 1.154 . . . . 0.0 110.345 -178.82 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 3.8 t60 -139.25 136.17 34.67 Favored 'General case' 0 C--N 1.297 -1.704 0 N-CA-C 105.108 -2.182 . . . . 0.0 105.108 -178.94 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 86.1 m-70 -61.26 -27.87 68.77 Favored 'General case' 0 N--CA 1.48 1.062 0 N-CA-C 113.802 1.038 . . . . 0.0 113.802 -173.78 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 75.6 mmtt -57.87 -53.87 53.34 Favored 'General case' 0 N--CA 1.465 0.31 0 N-CA-C 108.448 -0.945 . . . . 0.0 108.448 173.291 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.417 HG13 HD22 ' A' ' 17' ' ' LEU . 61.3 t -63.33 -43.31 98.55 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.605 0 CA-C-N 114.483 -1.235 . . . . 0.0 110.423 -178.466 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.41 ' O ' ' HG2' ' A' ' 36' ' ' GLN . 74.9 mt -59.3 -42.2 86.47 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.378 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.922 179.085 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 50.6 m -61.37 -39.64 91.39 Favored 'General case' 0 C--O 1.246 0.896 0 CA-C-O 120.692 0.282 . . . . 0.0 111.458 179.348 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . 0.448 ' HB2' HD21 ' A' ' 17' ' ' LEU . 83.0 m-85 -71.03 -31.32 67.76 Favored 'General case' 0 C--O 1.225 -0.186 0 N-CA-C 110.084 -0.339 . . . . 0.0 110.084 175.896 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 20.7 m -66.38 -35.84 81.35 Favored 'General case' 0 C--O 1.217 -0.644 0 N-CA-C 109.375 -0.602 . . . . 0.0 109.375 177.81 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . 0.41 ' HG2' ' O ' ' A' ' 32' ' ' ILE . 14.1 mm-40 -68.88 -28.84 67.06 Favored 'General case' 0 C--O 1.235 0.319 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.433 176.715 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 41.1 tt0 -75.44 -44.0 46.75 Favored 'General case' 0 C--N 1.318 -0.794 0 N-CA-C 108.979 -0.748 . . . . 0.0 108.979 177.394 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.425 HD11 ' HB3' ' A' ' 14' ' ' LYS . 4.9 tt -58.17 -46.24 86.06 Favored 'General case' 0 C--O 1.219 -0.508 0 N-CA-C 108.247 -1.02 . . . . 0.0 108.247 176.26 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 34.1 t70 -56.18 -40.0 73.25 Favored 'General case' 0 C--O 1.219 -0.516 0 C-N-CA 123.887 0.875 . . . . 0.0 110.376 179.745 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . 0.401 ' O ' ' HG ' ' A' ' 44' ' ' LEU . 0.5 OUTLIER -61.27 -49.87 75.32 Favored 'General case' 0 CA--C 1.538 0.509 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.754 176.576 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 10.3 mp -66.57 -32.89 74.53 Favored 'General case' 0 N--CA 1.467 0.414 0 CA-C-O 121.037 0.446 . . . . 0.0 111.416 -179.686 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 7.5 tt -66.24 -41.46 89.98 Favored 'General case' 0 C--N 1.311 -1.101 0 N-CA-C 108.849 -0.797 . . . . 0.0 108.849 176.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 12.9 m120 -64.6 -27.27 68.83 Favored 'General case' 0 C--O 1.209 -1.047 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.938 178.431 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.401 ' HG ' ' O ' ' A' ' 40' ' ' ARG . 94.2 mt -61.94 -32.24 72.65 Favored 'General case' 0 C--N 1.321 -0.636 0 O-C-N 123.137 0.273 . . . . 0.0 111.25 179.427 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.451 HD23 HD23 ' A' ' 6' ' ' LEU . 94.4 mt -65.27 -39.64 92.87 Favored 'General case' 0 C--O 1.237 0.403 0 N-CA-C 109.211 -0.663 . . . . 0.0 109.211 175.193 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 2.0 mp -72.8 -40.89 61.4 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.846 0 CA-C-N 115.133 -0.94 . . . . 0.0 110.147 179.401 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 35.5 mt-10 . . . . . 0 C--O 1.215 -0.727 0 O-C-N 122.254 -0.279 . . . . 0.0 111.511 177.651 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 33.3 m . . . . . 0 N--CA 1.47 0.541 0 N-CA-C 112.106 0.41 . . . . 0.0 112.106 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 28.6 m -53.35 -41.44 65.78 Favored 'General case' 0 C--N 1.319 -0.734 0 C-N-CA 125.018 1.327 . . . . 0.0 112.112 -173.516 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . 0.533 ' O ' ' HG3' ' A' ' 9' ' ' ARG . 22.8 pttm -55.31 -26.8 42.77 Favored 'General case' 0 C--N 1.306 -1.317 0 CA-C-N 114.916 -1.038 . . . . 0.0 112.651 -178.565 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 44.4 tp -64.12 -50.22 69.09 Favored 'General case' 0 C--O 1.234 0.254 0 N-CA-C 109.726 -0.472 . . . . 0.0 109.726 178.354 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' ASN . . . . . 0.456 ' HA ' HD12 ' A' ' 10' ' ' ILE . 9.5 t30 -68.06 -32.23 72.43 Favored 'General case' 0 CA--C 1.508 -0.655 0 N-CA-C 108.992 -0.744 . . . . 0.0 108.992 178.559 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . 0.47 ' HB3' ' HA ' ' A' ' 5' ' ' LYS . 25.1 t70 -60.71 -32.54 71.78 Favored 'General case' 0 C--N 1.31 -1.125 0 CA-C-N 114.843 -1.071 . . . . 0.0 110.888 176.9 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . 0.533 ' HG3' ' O ' ' A' ' 5' ' ' LYS . 71.9 mtp180 -68.17 -39.77 82.48 Favored 'General case' 0 C--O 1.24 0.597 0 N-CA-C 108.718 -0.845 . . . . 0.0 108.718 176.151 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.456 HD12 ' HA ' ' A' ' 7' ' ' ASN . 49.1 mt -63.11 -48.7 86.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 CA-C-N 115.02 -0.991 . . . . 0.0 109.256 179.131 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . 0.445 ' O ' ' HG2' ' A' ' 14' ' ' LYS . 18.8 mm-40 -51.16 -48.38 61.9 Favored 'General case' 0 N--CA 1.467 0.423 0 O-C-N 123.909 0.756 . . . . 0.0 111.321 179.391 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -64.38 -41.58 96.6 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.574 -179.929 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 61.8 mttp -77.37 -32.51 55.03 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 113.525 0.935 . . . . 0.0 113.525 -176.771 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.454 ' O ' HG13 ' A' ' 18' ' ' ILE . 18.6 ptmt -67.27 -34.46 77.46 Favored 'General case' 0 C--N 1.32 -0.68 0 C-N-CA 120.684 -0.406 . . . . 0.0 109.922 -179.846 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 75.9 mmtt -70.75 -30.61 67.17 Favored 'General case' 0 C--O 1.239 0.551 0 CA-C-O 121.303 0.573 . . . . 0.0 110.209 177.562 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . 0.49 ' O ' ' HG ' ' A' ' 20' ' ' LEU . 38.6 tt0 -74.89 -42.83 57.08 Favored 'General case' 0 C--N 1.315 -0.933 0 N-CA-C 108.649 -0.871 . . . . 0.0 108.649 -178.63 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.428 ' O ' HG23 ' A' ' 21' ' ' VAL . 13.7 mt -59.39 -42.31 91.43 Favored 'General case' 0 N--CA 1.427 -1.579 0 CA-C-N 114.716 -1.129 . . . . 0.0 112.458 176.518 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.454 HG13 ' O ' ' A' ' 14' ' ' LYS . 85.8 mt -57.38 -44.79 84.98 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.63 0 CA-C-O 120.74 0.305 . . . . 0.0 110.26 176.51 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 65.1 t80 -61.8 -45.29 94.47 Favored 'General case' 0 C--O 1.248 0.999 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.487 176.703 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.49 ' HG ' ' O ' ' A' ' 16' ' ' GLU . 84.5 mt -63.96 -42.26 97.32 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.91 -0.586 . . . . 0.0 111.087 -179.716 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.516 ' O ' ' HA2' ' A' ' 25' ' ' GLY . 78.3 t -62.2 -33.24 57.73 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.836 0 C-N-CA 123.124 0.57 . . . . 0.0 111.838 178.199 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . 0.42 ' HG3' ' O ' ' A' ' 18' ' ' ILE . 47.0 mt-10 -68.34 -50.48 53.03 Favored 'General case' 0 C--N 1.314 -0.972 0 O-C-N 121.416 -0.802 . . . . 0.0 110.914 175.142 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 11.6 mptt -81.9 -48.37 11.6 Favored 'General case' 0 C--N 1.319 -0.723 0 N-CA-C 113.674 0.99 . . . . 0.0 113.674 -171.198 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 92.5 m-85 -98.53 -42.13 7.44 Favored 'General case' 0 C--N 1.304 -1.37 0 N-CA-C 109.003 -0.74 . . . . 0.0 109.003 -179.922 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . 0.516 ' HA2' ' O ' ' A' ' 21' ' ' VAL . . . 89.08 -129.19 9.53 Favored Glycine 0 N--CA 1.419 -2.45 0 N-CA-C 109.406 -1.478 . . . . 0.0 109.406 -177.679 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 50.4 m-85 -112.1 -158.07 0.64 Allowed 'General case' 0 C--N 1.276 -2.59 0 N-CA-C 107.577 -1.268 . . . . 0.0 107.577 173.676 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 59.2 p 68.47 -40.58 0.43 Allowed 'General case' 0 N--CA 1.481 1.076 0 C-N-CA 125.729 1.612 . . . . 0.0 112.257 -174.135 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 23.4 t60 -62.36 115.8 4.51 Favored 'General case' 0 N--CA 1.439 -0.982 0 N-CA-C 108.031 -1.1 . . . . 0.0 108.031 176.313 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 91.5 m-70 -59.39 -35.45 73.97 Favored 'General case' 0 C--N 1.306 -1.287 0 C-N-CA 124.475 1.11 . . . . 0.0 113.285 -171.459 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 75.4 mmtt -62.68 -44.16 96.96 Favored 'General case' 0 C--O 1.224 -0.257 0 C-N-CA 120.686 -0.406 . . . . 0.0 110.581 178.719 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 91.6 t -59.46 -45.33 93.78 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.581 0 N-CA-C 109.409 -0.589 . . . . 0.0 109.409 -179.772 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.493 HG22 HE21 ' A' ' 36' ' ' GLN . 67.3 mt -62.29 -45.85 97.8 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.909 0 CA-C-N 115.2 -0.909 . . . . 0.0 109.936 179.469 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 21.7 m -64.71 -36.1 83.19 Favored 'General case' 0 C--O 1.245 0.83 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.827 -178.676 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 18.8 m-85 -71.75 -38.95 70.34 Favored 'General case' 0 N--CA 1.463 0.197 0 N-CA-C 110.03 -0.359 . . . . 0.0 110.03 178.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 22.1 t -63.97 -32.48 74.03 Favored 'General case' 0 C--O 1.242 0.709 0 CA-C-O 121.382 0.611 . . . . 0.0 110.084 178.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . 0.493 HE21 HG22 ' A' ' 32' ' ' ILE . 78.1 mt-30 -67.17 -40.09 86.53 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.652 176.037 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . 0.54 ' O ' ' HG ' ' A' ' 41' ' ' LEU . 35.9 tt0 -68.38 -42.08 79.66 Favored 'General case' 0 N--CA 1.447 -0.586 0 N-CA-C 109.406 -0.59 . . . . 0.0 109.406 -179.325 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 7.2 tt -53.17 -53.38 51.42 Favored 'General case' 0 CA--C 1.531 0.228 0 O-C-N 124.011 0.819 . . . . 0.0 109.601 177.899 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 15.4 t70 -56.82 -42.41 79.53 Favored 'General case' 0 N--CA 1.477 0.908 0 CA-C-O 121.113 0.482 . . . . 0.0 111.323 179.091 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . 0.488 ' O ' ' HG ' ' A' ' 44' ' ' LEU . 20.0 mmt180 -71.42 -29.37 64.81 Favored 'General case' 0 N--CA 1.439 -0.975 0 N-CA-C 112.715 0.635 . . . . 0.0 112.715 -178.924 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.54 ' HG ' ' O ' ' A' ' 37' ' ' GLU . 98.2 mt -65.83 -37.25 85.7 Favored 'General case' 0 C--N 1.317 -0.818 0 N-CA-C 109.014 -0.736 . . . . 0.0 109.014 174.355 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.512 ' O ' HG13 ' A' ' 46' ' ' ILE . 3.9 mm? -61.94 -39.59 92.61 Favored 'General case' 0 C--O 1.219 -0.508 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.095 173.492 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -63.31 -27.85 69.61 Favored 'General case' 0 N--CA 1.485 1.286 0 CA-C-O 121.372 0.606 . . . . 0.0 111.417 178.522 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.488 ' HG ' ' O ' ' A' ' 40' ' ' ARG . 86.6 mt -72.65 -40.45 66.36 Favored 'General case' 0 C--N 1.312 -1.034 0 CA-C-N 115.751 -0.659 . . . . 0.0 109.261 177.004 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 90.0 mt -64.96 -38.38 90.76 Favored 'General case' 0 CA--C 1.512 -0.512 0 CA-C-N 116.646 -0.252 . . . . 0.0 110.527 177.23 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.512 HG13 ' O ' ' A' ' 42' ' ' LEU . 78.1 mt -59.03 -31.74 46.31 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.475 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.053 177.615 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 34.0 tt0 . . . . . 0 C--N 1.313 -0.991 0 N-CA-C 109.484 -0.561 . . . . 0.0 109.484 178.555 . . . . . . . . 0 0 . 1 . 021 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 27.3 m . . . . . 0 CA--C 1.512 -0.487 0 N-CA-C 112.265 0.468 . . . . 0.0 112.265 . . . . . . . . . 0 0 . 1 . 021 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 9.0 t -65.96 -38.02 87.5 Favored 'General case' 0 CA--C 1.551 1.007 0 CA-C-O 121.083 0.468 . . . . 0.0 109.82 176.092 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . 0.416 ' HD3' ' HA ' ' A' ' 5' ' ' LYS . 26.9 mmtt -77.62 -30.14 52.16 Favored 'General case' 0 N--CA 1.437 -1.075 0 O-C-N 121.886 -0.509 . . . . 0.0 111.796 176.386 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.402 ' O ' HG13 ' A' ' 10' ' ' ILE . 58.8 tp -61.88 -43.22 99.28 Favored 'General case' 0 C--N 1.319 -0.727 0 N-CA-C 107.88 -1.155 . . . . 0.0 107.88 173.891 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 25.8 t-20 -63.52 -40.32 96.73 Favored 'General case' 0 C--O 1.212 -0.92 0 CA-C-N 115.096 -0.956 . . . . 0.0 110.588 178.186 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 32.6 t70 -58.62 -37.96 77.02 Favored 'General case' 0 N--CA 1.488 1.432 0 CA-C-O 121.248 0.547 . . . . 0.0 111.36 178.26 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 81.1 mtp180 -65.17 -50.19 66.93 Favored 'General case' 0 C--O 1.243 0.757 0 CA-C-O 121.41 0.624 . . . . 0.0 109.74 177.035 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.53 ' O ' ' HG2' ' A' ' 14' ' ' LYS . 74.3 mt -62.88 -44.12 99.37 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.739 0 CA-C-N 114.555 -1.202 . . . . 0.0 110.89 -178.137 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 7.8 tp10 -56.57 -40.09 74.61 Favored 'General case' 0 C--N 1.33 -0.247 0 C-N-CA 123.79 0.836 . . . . 0.0 110.65 -178.02 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -65.45 -36.73 84.79 Favored 'General case' 0 C--N 1.316 -0.852 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.645 178.41 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 34.9 mmtp -76.56 -39.85 51.54 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.623 -177.828 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.53 ' HG2' ' O ' ' A' ' 10' ' ' ILE . 10.1 ptmm? -73.89 -31.87 63.32 Favored 'General case' 0 C--N 1.313 -0.987 0 N-CA-C 112.76 0.652 . . . . 0.0 112.76 -179.746 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . 0.416 ' HD3' ' N ' ' A' ' 16' ' ' GLU . 0.0 OUTLIER -65.42 -32.71 74.48 Favored 'General case' 0 C--O 1.237 0.415 0 C-N-CA 119.728 -0.789 . . . . 0.0 109.431 175.936 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . 0.567 ' O ' ' HG ' ' A' ' 20' ' ' LEU . 34.5 tt0 -73.01 -46.48 51.88 Favored 'General case' 0 N--CA 1.431 -1.397 0 CA-C-N 114.71 -1.132 . . . . 0.0 109.109 177.01 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.529 ' O ' HG23 ' A' ' 21' ' ' VAL . 58.0 tp -56.68 -45.83 81.5 Favored 'General case' 0 C--O 1.216 -0.676 0 CA-C-N 115.802 -0.635 . . . . 0.0 111.561 179.447 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.518 HG13 ' O ' ' A' ' 14' ' ' LYS . 75.9 mt -59.95 -42.7 90.35 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.448 0 N-CA-C 109.561 -0.533 . . . . 0.0 109.561 178.882 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 79.1 t80 -61.68 -39.62 92.05 Favored 'General case' 0 C--O 1.239 0.541 0 CA-C-O 121.325 0.583 . . . . 0.0 109.838 177.653 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.567 ' HG ' ' O ' ' A' ' 16' ' ' GLU . 76.9 mt -66.86 -35.61 80.42 Favored 'General case' 0 C--O 1.212 -0.899 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.466 178.404 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.529 HG23 ' O ' ' A' ' 17' ' ' LEU . 82.6 t -67.29 -36.79 77.65 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.795 0 CA-C-O 120.97 0.414 . . . . 0.0 110.23 177.158 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . 0.512 ' HG3' ' O ' ' A' ' 18' ' ' ILE . 48.1 mt-10 -67.89 -51.68 45.21 Favored 'General case' 0 C--N 1.309 -1.161 0 CA-C-O 120.946 0.403 . . . . 0.0 110.503 177.896 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 74.4 mmtt -81.96 -47.99 12.02 Favored 'General case' 0 C--N 1.32 -0.675 0 N-CA-C 113.816 1.043 . . . . 0.0 113.816 -174.229 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 90.4 m-85 -96.84 -37.52 10.21 Favored 'General case' 0 C--N 1.311 -1.106 0 CA-C-O 120.718 0.294 . . . . 0.0 110.996 -176.001 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 78.66 159.47 14.29 Favored Glycine 0 C--O 1.258 1.631 0 CA-C-N 115.902 -0.59 . . . . 0.0 114.086 175.709 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 43.6 m-85 -72.16 87.09 1.08 Allowed 'General case' 0 N--CA 1.441 -0.879 0 CA-C-O 121.933 0.873 . . . . 0.0 111.15 176.205 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 14.8 t -169.49 -28.75 0.02 OUTLIER 'General case' 0 C--N 1.288 -2.084 0 N-CA-C 105.911 -1.885 . . . . 0.0 105.911 178.199 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 35.2 m80 -74.39 131.31 40.98 Favored 'General case' 0 N--CA 1.434 -1.259 0 CA-C-N 114.431 -1.258 . . . . 0.0 108.521 170.902 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 56.1 t60 -61.86 -32.85 73.24 Favored 'General case' 0 C--N 1.32 -0.699 0 O-C-N 123.786 0.679 . . . . 0.0 109.26 -179.883 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 44.1 mmtm -50.92 -58.94 4.74 Favored 'General case' 0 C--O 1.225 -0.226 0 O-C-N 123.802 0.689 . . . . 0.0 110.857 175.109 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 59.5 t -59.48 -42.98 89.6 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.71 0 C-N-CA 123.34 0.656 . . . . 0.0 110.81 -177.69 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 71.1 mt -66.06 -41.86 90.4 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.868 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.522 -179.423 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 20.7 t -66.98 -43.34 83.28 Favored 'General case' 0 C--N 1.317 -0.811 0 C-N-CA 122.697 0.399 . . . . 0.0 110.092 179.933 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 24.6 m-85 -66.08 -33.26 75.38 Favored 'General case' 0 C--O 1.214 -0.769 0 C-N-CA 120.97 -0.292 . . . . 0.0 110.692 178.595 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 11.5 t -67.49 -44.12 79.29 Favored 'General case' 0 C--N 1.319 -0.741 0 N-CA-C 109.723 -0.473 . . . . 0.0 109.723 179.055 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 49.7 mt-30 -65.43 -33.12 75.21 Favored 'General case' 0 N--CA 1.471 0.582 0 CA-C-O 121.635 0.731 . . . . 0.0 110.372 177.962 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 40.9 tp10 -69.39 -45.36 69.49 Favored 'General case' 0 N--CA 1.438 -1.053 0 CA-C-N 115.539 -0.755 . . . . 0.0 109.091 177.602 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 1.3 tm? -61.29 -37.43 83.17 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.309 -0.859 . . . . 0.0 108.816 178.866 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 29.5 m-20 -56.64 -44.08 80.92 Favored 'General case' 0 CA--C 1.509 -0.631 0 CA-C-O 120.65 0.262 . . . . 0.0 111.186 175.643 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 26.9 tpt180 -70.75 -36.87 73.32 Favored 'General case' 0 C--N 1.319 -0.757 0 C-N-CA 120.363 -0.535 . . . . 0.0 110.849 179.508 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 10.8 mp -62.64 -40.92 98.54 Favored 'General case' 0 N--CA 1.474 0.743 0 CA-C-O 120.937 0.398 . . . . 0.0 111.151 175.379 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 50.7 tp -63.94 -30.5 71.58 Favored 'General case' 0 C--N 1.318 -0.799 0 CA-C-O 121.738 0.78 . . . . 0.0 109.805 177.876 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . 0.518 ' O ' ' HG2' ' A' ' 47' ' ' GLU . 8.4 m-80 -75.36 -17.87 60.12 Favored 'General case' 0 C--N 1.316 -0.875 0 CA-C-N 115.046 -0.979 . . . . 0.0 112.476 177.583 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 95.6 mt -63.95 -31.86 73.19 Favored 'General case' 0 C--O 1.22 -0.494 0 CA-C-O 120.844 0.354 . . . . 0.0 110.722 179.649 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 6.5 mp -63.37 -38.23 90.34 Favored 'General case' 0 C--N 1.322 -0.587 0 N-CA-C 109.202 -0.666 . . . . 0.0 109.202 176.135 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 86.6 mt -69.25 -40.71 80.65 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.664 0 CA-C-N 114.998 -1.001 . . . . 0.0 109.72 178.054 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . 0.518 ' HG2' ' O ' ' A' ' 43' ' ' ASN . 32.9 mm-40 . . . . . 0 C--N 1.318 -0.794 0 N-CA-C 108.986 -0.746 . . . . 0.0 108.986 176.813 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 27.7 m . . . . . 0 N--CA 1.447 -0.608 0 CA-C-O 120.86 0.362 . . . . 0.0 110.319 . . . . . . . . . 0 0 . 1 . 022 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 12.2 t -65.87 -32.77 74.48 Favored 'General case' 0 N--CA 1.441 -0.918 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.014 176.824 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 42.0 mmtm -78.59 -30.47 46.68 Favored 'General case' 0 CA--C 1.505 -0.784 0 CA-C-O 120.704 0.288 . . . . 0.0 110.639 178.042 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 45.5 tp -68.0 -43.81 78.03 Favored 'General case' 0 C--N 1.316 -0.864 0 N-CA-C 107.984 -1.117 . . . . 0.0 107.984 175.99 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 7' ' ' ASN . . . . . 0.524 ' HB2' HD21 ' A' ' 45' ' ' LEU . 7.9 t30 -60.94 -40.99 95.38 Favored 'General case' 0 C--O 1.219 -0.539 0 CA-C-N 115.092 -0.958 . . . . 0.0 109.522 176.351 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 19.2 t70 -58.99 -34.42 71.81 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-N 114.742 -1.117 . . . . 0.0 110.663 179.688 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 61.8 mtp180 -67.85 -39.46 83.8 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.67 -0.696 . . . . 0.0 110.12 176.849 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.487 ' O ' ' HG3' ' A' ' 14' ' ' LYS . 53.9 mt -63.17 -42.63 97.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 N-CA-C 108.704 -0.85 . . . . 0.0 108.704 178.421 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . 0.514 ' HG2' ' O ' ' A' ' 7' ' ' ASN . 16.8 mm-40 -55.5 -47.22 76.55 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.411 -0.813 . . . . 0.0 111.056 179.103 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -70.46 -27.85 64.56 Favored 'General case' 0 C--O 1.246 0.889 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.853 -179.261 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 18.1 tptm -77.24 -33.11 56.12 Favored 'General case' 0 C--N 1.317 -0.811 0 N-CA-C 109.118 -0.697 . . . . 0.0 109.118 -178.361 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.562 ' O ' HG12 ' A' ' 18' ' ' ILE . 97.9 mttt -58.77 -49.29 78.2 Favored 'General case' 0 C--O 1.21 -0.975 0 CA-C-N 115.649 -0.705 . . . . 0.0 109.323 173.501 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 29.1 mtpp -58.76 -40.08 82.87 Favored 'General case' 0 N--CA 1.47 0.53 0 O-C-N 123.853 0.721 . . . . 0.0 110.45 -179.375 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 33.4 tt0 -65.72 -42.26 91.29 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-N 115.637 -0.711 . . . . 0.0 109.23 179.221 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.504 ' O ' HG23 ' A' ' 21' ' ' VAL . 55.1 tp -64.15 -41.59 97.12 Favored 'General case' 0 N--CA 1.445 -0.72 0 CA-C-N 115.37 -0.832 . . . . 0.0 110.862 179.375 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.562 HG12 ' O ' ' A' ' 14' ' ' LYS . 27.3 mm -53.81 -51.98 39.34 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.678 0 N-CA-C 108.468 -0.938 . . . . 0.0 108.468 179.511 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 54.1 t80 -55.96 -43.52 77.6 Favored 'General case' 0 C--N 1.314 -0.976 0 CA-C-N 113.528 -1.669 . . . . 0.0 110.449 -178.281 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.506 HD13 ' CE2' ' A' ' 34' ' ' PHE . 80.5 mt -74.49 -36.34 63.26 Favored 'General case' 0 C--N 1.309 -1.169 0 CA-C-N 115.438 -0.801 . . . . 0.0 112.775 -178.556 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.504 HG23 ' O ' ' A' ' 17' ' ' LEU . 87.9 t -64.72 -40.87 90.55 Favored 'Isoleucine or valine' 0 C--O 1.241 0.606 0 CA-C-O 120.827 0.346 . . . . 0.0 110.252 178.554 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . 0.449 ' HG2' ' O ' ' A' ' 18' ' ' ILE . 44.2 mm-40 -64.51 -33.14 75.21 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-O 121.19 0.519 . . . . 0.0 110.802 179.193 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 59.3 mttm -82.03 -44.81 16.14 Favored 'General case' 0 C--N 1.316 -0.853 0 N-CA-C 113.976 1.102 . . . . 0.0 113.976 -179.056 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 89.8 m-85 -109.12 -20.34 13.03 Favored 'General case' 0 C--N 1.305 -1.328 0 N-CA-C 114.491 1.293 . . . . 0.0 114.491 -170.464 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 89.72 174.06 45.64 Favored Glycine 0 C--N 1.306 -1.092 0 C-N-CA 119.797 -1.192 . . . . 0.0 111.929 -178.955 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 26.0 p90 -84.34 -20.24 32.34 Favored 'General case' 0 C--N 1.309 -1.163 0 CA-C-O 121.148 0.499 . . . . 0.0 111.515 -176.155 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 6.4 m -84.82 -6.17 59.34 Favored 'General case' 0 CA--C 1.553 1.088 0 CA-C-O 121.495 0.665 . . . . 0.0 111.256 -176.01 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 57.7 t60 -77.8 124.99 28.66 Favored 'General case' 0 C--N 1.316 -0.883 0 N-CA-C 108.861 -0.792 . . . . 0.0 108.861 -179.327 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 45.0 m80 -56.53 -42.6 78.75 Favored 'General case' 0 N--CA 1.483 1.216 0 N-CA-C 112.918 0.71 . . . . 0.0 112.918 -173.952 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 29.7 mtpp -60.36 -40.0 89.21 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.581 -0.282 . . . . 0.0 111.073 179.389 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 94.9 t -64.4 -39.0 84.01 Favored 'Isoleucine or valine' 0 C--O 1.247 0.95 0 CA-C-O 121.007 0.432 . . . . 0.0 110.101 179.909 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.512 ' O ' ' HG2' ' A' ' 36' ' ' GLN . 70.3 mt -60.95 -44.87 98.95 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.654 0 N-CA-C 109.142 -0.688 . . . . 0.0 109.142 176.157 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . 0.404 ' O ' ' HG3' ' A' ' 37' ' ' GLU . 22.7 t -63.35 -37.81 88.71 Favored 'General case' 0 CA--C 1.546 0.82 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.05 179.522 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . 0.506 ' CE2' HD13 ' A' ' 20' ' ' LEU . 16.3 m-85 -67.29 -35.9 80.43 Favored 'General case' 0 N--CA 1.471 0.616 0 CA-C-O 121.374 0.607 . . . . 0.0 109.876 178.695 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 31.4 m -66.84 -33.56 75.88 Favored 'General case' 0 C--N 1.317 -0.82 0 CA-C-N 115.426 -0.806 . . . . 0.0 110.07 178.272 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . 0.512 ' HG2' ' O ' ' A' ' 32' ' ' ILE . 27.7 mm-40 -67.1 -39.05 86.65 Favored 'General case' 0 C--O 1.225 -0.229 0 N-CA-C 109.097 -0.705 . . . . 0.0 109.097 176.703 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . 0.404 ' HG3' ' O ' ' A' ' 33' ' ' SER . 49.4 mt-10 -59.84 -47.93 83.72 Favored 'General case' 0 CA--C 1.512 -0.511 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.112 178.101 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 1.5 tm? -58.43 -46.59 86.19 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.406 -0.815 . . . . 0.0 109.574 -177.421 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 17.1 t70 -61.79 -44.28 97.19 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.841 -0.618 . . . . 0.0 111.683 178.944 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -67.98 -37.83 81.97 Favored 'General case' 0 C--N 1.313 -0.984 0 N-CA-C 112.351 0.5 . . . . 0.0 112.351 -177.975 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.433 ' HB3' HG12 ' A' ' 10' ' ' ILE . 11.0 mp -66.81 -36.77 83.14 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 120.783 0.325 . . . . 0.0 110.679 175.253 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 50.7 tp -66.31 -35.83 81.37 Favored 'General case' 0 C--O 1.239 0.5 0 CA-C-O 121.387 0.613 . . . . 0.0 109.846 177.995 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 19.3 m-80 -67.2 -17.78 64.97 Favored 'General case' 0 CA--C 1.503 -0.862 0 CA-C-N 115.581 -0.736 . . . . 0.0 112.338 178.163 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 96.0 mt -66.2 -35.07 79.47 Favored 'General case' 0 C--N 1.32 -0.693 0 N-CA-C 110.263 -0.273 . . . . 0.0 110.263 177.782 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.524 HD21 ' HB2' ' A' ' 7' ' ' ASN . 7.7 mp -73.25 -41.66 63.43 Favored 'General case' 0 CA--C 1.507 -0.692 0 CA-C-O 121.414 0.626 . . . . 0.0 109.579 175.222 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 65.4 mt -60.76 -29.8 45.85 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.762 0 CA-C-N 114.931 -1.031 . . . . 0.0 109.981 179.582 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 9.0 tp10 . . . . . 0 CA--C 1.54 0.592 0 C-N-CA 123.919 0.888 . . . . 0.0 110.85 178.934 . . . . . . . . 0 0 . 1 . 023 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 31.1 m . . . . . 0 C--O 1.234 0.242 0 N-CA-C 112.783 0.661 . . . . 0.0 112.783 . . . . . . . . . 0 0 . 1 . 023 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 9.9 t -65.19 -41.72 94.29 Favored 'General case' 0 N--CA 1.44 -0.972 0 C-N-CA 120.683 -0.407 . . . . 0.0 111.639 -179.84 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . 0.475 ' O ' ' HG3' ' A' ' 9' ' ' ARG . 0.3 OUTLIER -78.13 -28.28 48.46 Favored 'General case' 0 N--CA 1.443 -0.801 0 C-N-CA 119.547 -0.861 . . . . 0.0 110.408 178.517 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.559 ' O ' HG13 ' A' ' 10' ' ' ILE . 56.0 tp -60.22 -52.19 66.34 Favored 'General case' 0 C--O 1.224 -0.254 0 N-CA-C 109.065 -0.717 . . . . 0.0 109.065 176.361 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 7' ' ' ASN . . . . . 0.423 ' C ' HD22 ' A' ' 7' ' ' ASN . 0.2 OUTLIER -62.26 -40.57 96.66 Favored 'General case' 0 C--O 1.24 0.564 0 CA-C-N 115.657 -0.701 . . . . 0.0 109.312 179.732 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 32.6 t70 -59.88 -47.19 86.76 Favored 'General case' 0 C--N 1.312 -1.028 0 CA-C-N 115.56 -0.745 . . . . 0.0 112.207 179.698 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . 0.475 ' HG3' ' O ' ' A' ' 5' ' ' LYS . 83.5 mtp180 -63.36 -35.05 79.11 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 120.963 0.411 . . . . 0.0 110.848 179.369 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.561 HG12 ' HB3' ' A' ' 41' ' ' LEU . 70.7 mt -64.0 -48.88 84.05 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.684 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.29 178.622 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 50.1 mt-10 -64.4 -31.55 72.8 Favored 'General case' 0 C--O 1.239 0.502 0 CA-C-O 120.835 0.35 . . . . 0.0 111.851 179.021 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -67.29 -37.09 82.84 Favored 'General case' 0 C--N 1.316 -0.859 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.503 176.804 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 83.5 mttt -77.3 -31.69 54.9 Favored 'General case' 0 CA--C 1.503 -0.83 0 C-N-CA 120.071 -0.652 . . . . 0.0 110.414 179.264 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.488 ' O ' HG13 ' A' ' 18' ' ' ILE . 55.0 mttm -60.2 -45.95 91.4 Favored 'General case' 0 C--N 1.317 -0.823 0 CA-C-N 115.764 -0.653 . . . . 0.0 110.93 175.435 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.95 -29.55 66.7 Favored 'General case' 0 N--CA 1.444 -0.728 0 C-N-CA 120.537 -0.465 . . . . 0.0 110.895 179.917 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . 0.615 ' O ' ' HG ' ' A' ' 20' ' ' LEU . 16.6 tp10 -66.29 -45.04 81.78 Favored 'General case' 0 C--O 1.223 -0.301 0 N-CA-C 107.554 -1.276 . . . . 0.0 107.554 177.009 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.47 ' O ' HG23 ' A' ' 21' ' ' VAL . 34.1 tp -64.15 -40.39 96.06 Favored 'General case' 0 N--CA 1.438 -1.072 0 CA-C-N 114.871 -1.059 . . . . 0.0 110.433 179.39 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.51 ' O ' ' HG3' ' A' ' 22' ' ' GLU . 78.6 mt -58.98 -47.67 89.06 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.722 0 N-CA-C 109.771 -0.455 . . . . 0.0 109.771 176.395 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 55.2 t80 -53.58 -44.03 69.01 Favored 'General case' 0 C--O 1.244 0.8 0 C-N-CA 123.985 0.914 . . . . 0.0 109.857 177.323 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.615 ' HG ' ' O ' ' A' ' 16' ' ' GLU . 79.3 mt -65.94 -44.11 86.03 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 115.226 -0.897 . . . . 0.0 110.75 179.684 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.47 HG23 ' O ' ' A' ' 17' ' ' LEU . 84.9 t -64.02 -38.61 82.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 CA-C-N 116.508 -0.314 . . . . 0.0 110.457 179.406 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . 0.51 ' HG3' ' O ' ' A' ' 18' ' ' ILE . 48.6 mt-10 -63.8 -50.85 67.34 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-O 121.032 0.444 . . . . 0.0 110.576 177.86 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 31.0 mmmt -80.1 -48.2 13.61 Favored 'General case' 0 C--N 1.315 -0.915 0 N-CA-C 114.292 1.219 . . . . 0.0 114.292 -173.455 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 57.8 m-85 -97.83 -43.21 7.22 Favored 'General case' 0 C--N 1.297 -1.688 0 CA-C-O 121.388 0.613 . . . . 0.0 110.379 -174.459 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 120.39 -166.44 13.72 Favored Glycine 0 N--CA 1.431 -1.665 0 N-CA-C 109.643 -1.383 . . . . 0.0 109.643 -176.166 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 41.7 p90 -115.2 1.86 13.94 Favored 'General case' 0 C--N 1.304 -1.375 0 CA-C-O 121.317 0.58 . . . . 0.0 111.715 -178.74 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 21.1 m -97.72 -2.88 40.28 Favored 'General case' 0 C--N 1.309 -1.158 0 CA-C-O 122.472 1.129 . . . . 0.0 108.825 178.471 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 49.8 t60 -78.68 128.45 33.47 Favored 'General case' 0 N--CA 1.439 -1.021 0 CA-C-N 114.535 -1.211 . . . . 0.0 108.612 -179.187 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 13.7 t-80 -53.47 -48.44 68.89 Favored 'General case' 0 N--CA 1.472 0.663 0 N-CA-C 114.18 1.178 . . . . 0.0 114.18 -171.073 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 22.1 pttm -66.84 -27.04 67.23 Favored 'General case' 0 C--O 1.216 -0.668 0 C-N-CA 119.246 -0.982 . . . . 0.0 112.904 -179.435 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.508 HG22 ' HB3' ' A' ' 20' ' ' LEU . 59.4 t -67.98 -41.71 84.84 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.897 0 N-CA-C 109.025 -0.731 . . . . 0.0 109.025 178.697 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 66.3 mt -66.4 -36.31 77.04 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.646 0 N-CA-C 108.918 -0.771 . . . . 0.0 108.918 176.92 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 22.6 t -60.84 -46.28 91.18 Favored 'General case' 0 N--CA 1.44 -0.966 0 CA-C-N 115.462 -0.79 . . . . 0.0 110.253 178.402 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 70.6 m-85 -66.53 -30.57 70.91 Favored 'General case' 0 CA--C 1.516 -0.354 0 N-CA-C 111.799 0.296 . . . . 0.0 111.799 177.792 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 23.0 t -61.6 -35.66 78.5 Favored 'General case' 0 C--O 1.244 0.772 0 N-CA-C 109.657 -0.497 . . . . 0.0 109.657 179.153 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 79.8 mm-40 -64.34 -41.13 96.94 Favored 'General case' 0 N--CA 1.465 0.316 0 CA-C-O 121.408 0.623 . . . . 0.0 109.559 175.922 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 28.0 mm-40 -64.36 -43.85 93.28 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.363 -0.835 . . . . 0.0 111.007 -179.926 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.55 ' O ' ' HG ' ' A' ' 42' ' ' LEU . 4.3 mm? -62.81 -40.36 97.14 Favored 'General case' 0 CA--C 1.51 -0.591 0 CA-C-N 115.991 -0.55 . . . . 0.0 111.134 176.663 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 16.8 t70 -57.86 -44.92 86.91 Favored 'General case' 0 N--CA 1.473 0.71 0 CA-C-O 121.511 0.672 . . . . 0.0 109.935 177.235 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 98.2 mtt180 -60.04 -43.24 95.47 Favored 'General case' 0 C--N 1.316 -0.853 0 CA-C-N 115.125 -0.943 . . . . 0.0 111.529 177.075 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.561 ' HB3' HG12 ' A' ' 10' ' ' ILE . 98.1 mt -69.17 -38.81 78.9 Favored 'General case' 0 C--N 1.318 -0.804 0 CA-C-N 116.042 -0.526 . . . . 0.0 111.361 179.328 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.55 ' HG ' ' O ' ' A' ' 38' ' ' LEU . 95.9 mt -60.55 -35.28 75.65 Favored 'General case' 0 C--N 1.317 -0.825 0 CA-C-O 121.191 0.52 . . . . 0.0 110.298 175.743 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . 0.414 ' HA ' HD12 ' A' ' 46' ' ' ILE . 24.2 m-80 -68.64 -18.34 64.28 Favored 'General case' 0 C--N 1.314 -0.951 0 CA-C-N 115.772 -0.649 . . . . 0.0 112.087 176.437 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.497 ' O ' ' HB2' ' A' ' 47' ' ' GLU . 97.5 mt -75.33 -40.64 58.12 Favored 'General case' 0 C--O 1.214 -0.806 0 N-CA-C 108.585 -0.894 . . . . 0.0 108.585 175.296 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 91.8 mt -62.59 -38.46 90.23 Favored 'General case' 0 C--O 1.239 0.55 0 CA-C-O 120.971 0.415 . . . . 0.0 110.024 174.828 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.414 HD12 ' HA ' ' A' ' 43' ' ' ASN . 70.4 mt -57.45 -38.81 65.12 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.277 0 CA-C-N 115.651 -0.704 . . . . 0.0 110.514 176.484 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . 0.497 ' HB2' ' O ' ' A' ' 44' ' ' LEU . 37.0 mm-40 . . . . . 0 C--N 1.32 -0.705 0 CA-C-N 115.994 -0.548 . . . . 0.0 112.264 177.575 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 30.7 m . . . . . 0 C--O 1.225 -0.23 0 N-CA-C 112.812 0.671 . . . . 0.0 112.812 . . . . . . . . . 0 0 . 1 . 024 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 14.3 t -66.19 -31.59 72.52 Favored 'General case' 0 CA--C 1.549 0.913 0 CA-C-O 121.164 0.507 . . . . 0.0 110.056 178.433 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 34.7 mmtp -78.43 -34.56 47.8 Favored 'General case' 0 CA--C 1.51 -0.565 0 CA-C-O 121.223 0.535 . . . . 0.0 109.79 179.973 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 31.9 tp -69.25 -39.94 78.15 Favored 'General case' 0 C--N 1.316 -0.864 0 N-CA-C 108.854 -0.795 . . . . 0.0 108.854 177.38 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 3.5 t-20 -66.02 -37.09 85.02 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.68 -0.691 . . . . 0.0 110.124 177.352 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 13.6 t70 -59.45 -39.89 85.07 Favored 'General case' 0 N--CA 1.474 0.755 0 CA-C-O 121.209 0.528 . . . . 0.0 109.744 175.948 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . 0.585 ' O ' ' HG2' ' A' ' 13' ' ' LYS . 81.3 mtp180 -64.32 -38.51 91.3 Favored 'General case' 0 C--O 1.215 -0.732 0 CA-C-N 115.582 -0.736 . . . . 0.0 110.551 176.966 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 77.5 mt -61.29 -45.18 99.12 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.643 0 CA-C-O 121.435 0.636 . . . . 0.0 109.378 176.081 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 35.9 tt0 -62.36 -39.1 92.05 Favored 'General case' 0 C--N 1.313 -1.015 0 CA-C-N 115.234 -0.894 . . . . 0.0 109.726 178.81 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -66.21 -26.75 67.53 Favored 'General case' 0 C--N 1.31 -1.148 0 CA-C-N 115.397 -0.82 . . . . 0.0 110.976 177.252 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.585 ' HG2' ' O ' ' A' ' 9' ' ' ARG . 74.4 mmtt -77.06 -33.86 57.13 Favored 'General case' 0 CA--C 1.504 -0.817 0 N-CA-C 108.901 -0.777 . . . . 0.0 108.901 178.207 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 72.0 mmtt -57.84 -53.77 54.41 Favored 'General case' 0 CA--C 1.513 -0.443 0 N-CA-C 108.377 -0.971 . . . . 0.0 108.377 176.303 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 32.0 mmmt -64.33 -35.56 81.25 Favored 'General case' 0 C--N 1.313 -1.02 0 CA-C-N 114.164 -1.38 . . . . 0.0 111.931 -176.884 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . 0.43 ' O ' ' HG ' ' A' ' 20' ' ' LEU . 4.1 tp10 -76.54 -47.38 22.86 Favored 'General case' 0 C--N 1.309 -1.168 0 CA-C-N 116.274 -0.421 . . . . 0.0 109.953 -176.734 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.49 ' O ' HG23 ' A' ' 21' ' ' VAL . 50.4 tp -62.51 -50.26 72.09 Favored 'General case' 0 N--CA 1.443 -0.788 0 CA-C-N 115.732 -0.667 . . . . 0.0 111.462 -176.844 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.516 ' O ' ' HG3' ' A' ' 22' ' ' GLU . 74.2 mt -59.47 -42.96 89.5 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.187 0 O-C-N 123.3 0.375 . . . . 0.0 110.082 -178.798 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 77.3 t80 -57.92 -42.47 84.88 Favored 'General case' 0 C--O 1.246 0.871 0 C-N-CA 123.669 0.788 . . . . 0.0 110.482 179.526 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.43 ' HG ' ' O ' ' A' ' 16' ' ' GLU . 81.1 mt -74.42 -32.81 62.8 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.378 179.439 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.49 HG23 ' O ' ' A' ' 17' ' ' LEU . 92.7 t -66.28 -34.19 68.5 Favored 'Isoleucine or valine' 0 C--O 1.24 0.57 0 CA-C-O 121.005 0.431 . . . . 0.0 110.088 176.743 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . 0.516 ' HG3' ' O ' ' A' ' 18' ' ' ILE . 34.6 mt-10 -68.6 -48.0 65.27 Favored 'General case' 0 C--N 1.318 -0.776 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.846 177.323 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 67.6 mttm -82.19 -47.9 11.94 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 114.029 1.122 . . . . 0.0 114.029 -175.912 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 95.9 m-85 -100.18 -45.03 5.76 Favored 'General case' 0 C--N 1.304 -1.385 0 CA-C-O 121.109 0.48 . . . . 0.0 110.497 -176.456 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 100.68 155.42 27.36 Favored Glycine 0 C--N 1.298 -1.537 0 CA-C-N 115.386 -0.825 . . . . 0.0 111.565 -177.138 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 49.8 t80 -83.22 81.02 8.88 Favored 'General case' 0 C--N 1.308 -1.207 0 N-CA-C 108.693 -0.854 . . . . 0.0 108.693 -179.036 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 27.7 m -133.79 -60.55 0.82 Allowed 'General case' 0 C--N 1.303 -1.417 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.351 -179.197 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 28' ' ' HIS . . . . . 0.432 ' CD2' ' HB3' ' A' ' 30' ' ' LYS . 3.1 p-80 -74.23 154.7 38.89 Favored 'General case' 0 C--O 1.254 1.294 0 C-N-CA 120.594 -0.442 . . . . 0.0 111.514 179.648 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 72.3 m80 -62.18 -22.48 65.93 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 114.543 1.312 . . . . 0.0 114.543 -173.156 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.432 ' HB3' ' CD2' ' A' ' 28' ' ' HIS . 24.6 ttpp -61.1 -47.56 85.74 Favored 'General case' 0 C--N 1.323 -0.546 0 C-N-CA 120.592 -0.443 . . . . 0.0 111.133 175.17 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 58.9 t -67.4 -35.57 73.94 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.626 0 N-CA-C 109.025 -0.731 . . . . 0.0 109.025 179.101 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 57.9 mt -64.18 -37.12 79.07 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.039 0 CA-C-N 115.566 -0.743 . . . . 0.0 110.766 178.352 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 88.0 p -64.13 -36.03 82.69 Favored 'General case' 0 C--N 1.341 0.236 0 O-C-N 122.24 -0.288 . . . . 0.0 111.37 179.906 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . 0.463 ' HB2' HD13 ' A' ' 17' ' ' LEU . 71.1 m-85 -63.76 -38.01 89.5 Favored 'General case' 0 CA--C 1.508 -0.654 0 C-N-CA 120.854 -0.338 . . . . 0.0 110.842 177.041 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 32.9 t -65.47 -40.69 93.46 Favored 'General case' 0 N--CA 1.44 -0.932 0 CA-C-N 116.124 -0.489 . . . . 0.0 109.834 179.032 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 45.4 mt-30 -69.81 -32.66 71.23 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.658 179.25 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 42.6 tt0 -72.26 -43.75 63.84 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.907 -0.588 . . . . 0.0 109.955 179.096 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.58 HD23 ' HB2' ' A' ' 13' ' ' LYS . 2.8 tm? -53.37 -51.6 61.96 Favored 'General case' 0 N--CA 1.473 0.718 0 C-N-CA 123.809 0.843 . . . . 0.0 108.739 175.199 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 17.7 t70 -60.09 -42.37 94.49 Favored 'General case' 0 C--N 1.311 -1.1 0 CA-C-N 114.259 -1.337 . . . . 0.0 111.686 179.265 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 32.8 ttt180 -72.15 -39.84 68.44 Favored 'General case' 0 C--N 1.314 -0.968 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.729 -175.902 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 10.8 mp -66.06 -32.85 74.55 Favored 'General case' 0 CA--C 1.515 -0.384 0 CA-C-O 120.771 0.319 . . . . 0.0 111.155 177.675 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 6.4 tt -67.18 -39.84 86.48 Favored 'General case' 0 C--N 1.319 -0.735 0 N-CA-C 108.25 -1.018 . . . . 0.0 108.25 176.845 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 18.9 m-80 -66.94 -23.43 65.96 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.658 -0.701 . . . . 0.0 112.55 177.808 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 87.7 mt -63.35 -39.05 93.47 Favored 'General case' 0 C--O 1.242 0.662 0 CA-C-O 120.562 0.22 . . . . 0.0 111.079 178.379 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 8.0 mp -68.98 -42.01 77.13 Favored 'General case' 0 CA--C 1.514 -0.42 0 N-CA-C 109.747 -0.464 . . . . 0.0 109.747 177.452 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 69.2 mt -59.16 -43.23 88.98 Favored 'Isoleucine or valine' 0 C--O 1.245 0.85 0 CA-C-N 115.595 -0.73 . . . . 0.0 109.621 178.668 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 29.5 tt0 . . . . . 0 N--CA 1.442 -0.841 0 CA-C-N 115.539 -0.755 . . . . 0.0 110.241 178.341 . . . . . . . . 0 0 . 1 . 025 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 27.8 m . . . . . 0 N--CA 1.482 1.14 0 N-CA-C 113.144 0.794 . . . . 0.0 113.144 . . . . . . . . . 0 0 . 1 . 025 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 14.1 t -63.09 -31.0 72.04 Favored 'General case' 0 N--CA 1.44 -0.974 0 CA-C-N 116.693 -0.231 . . . . 0.0 111.251 -179.964 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.46 -27.46 64.25 Favored 'General case' 0 C--N 1.348 0.517 0 CA-C-O 121.203 0.525 . . . . 0.0 109.845 -179.06 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.587 ' O ' ' HG2' ' A' ' 9' ' ' ARG . 47.9 tp -68.32 -46.35 70.49 Favored 'General case' 0 N--CA 1.437 -1.117 0 N-CA-C 109.346 -0.613 . . . . 0.0 109.346 178.443 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 52.0 t30 -67.59 -36.2 80.43 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-O 121.405 0.622 . . . . 0.0 109.475 178.482 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 9.5 t70 -55.3 -43.55 74.91 Favored 'General case' 0 C--O 1.244 0.786 0 CA-C-N 115.245 -0.889 . . . . 0.0 111.679 176.55 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . 0.587 ' HG2' ' O ' ' A' ' 6' ' ' LEU . 9.7 ptp180 -70.89 -29.47 65.56 Favored 'General case' 0 C--N 1.339 0.142 0 C-N-CA 120.237 -0.585 . . . . 0.0 110.059 -178.635 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.489 HG12 ' HB3' ' A' ' 41' ' ' LEU . 71.5 mt -70.1 -46.73 71.59 Favored 'Isoleucine or valine' 0 CA--C 1.505 -0.769 0 N-CA-C 109.163 -0.68 . . . . 0.0 109.163 179.273 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 27.3 tt0 -59.81 -38.92 83.31 Favored 'General case' 0 C--O 1.245 0.821 0 CA-C-O 121.451 0.643 . . . . 0.0 110.279 -179.163 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -72.37 -33.65 67.38 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 115.426 -0.806 . . . . 0.0 111.043 178.863 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 47.8 tptt -76.88 -39.38 51.23 Favored 'General case' 0 C--N 1.31 -1.136 0 C-N-CA 120.562 -0.455 . . . . 0.0 110.163 -177.788 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.483 ' HA ' HD11 ' A' ' 38' ' ' LEU . 18.1 ptmt -69.94 -32.03 70.09 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-N 116.409 -0.36 . . . . 0.0 111.747 -179.838 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 22.7 ptmt -70.78 -33.59 70.91 Favored 'General case' 0 N--CA 1.454 -0.255 0 C-N-CA 119.537 -0.865 . . . . 0.0 110.604 176.343 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 39.4 tt0 -65.64 -41.0 93.1 Favored 'General case' 0 C--O 1.239 0.519 0 CA-C-N 115.809 -0.632 . . . . 0.0 109.447 176.557 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.46 ' O ' HG23 ' A' ' 21' ' ' VAL . 61.5 tp -59.93 -52.36 65.74 Favored 'General case' 0 C--O 1.211 -0.93 0 CA-C-N 115.586 -0.734 . . . . 0.0 110.455 178.24 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.416 HG13 ' O ' ' A' ' 14' ' ' LYS . 91.2 mt -54.85 -43.79 69.33 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.968 0 C-N-CA 123.141 0.576 . . . . 0.0 110.883 -179.259 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 80.9 t80 -56.93 -49.0 76.97 Favored 'General case' 0 C--O 1.251 1.155 0 C-N-CA 124.05 0.94 . . . . 0.0 110.111 177.933 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 92.6 mt -72.86 -30.96 64.39 Favored 'General case' 0 C--N 1.314 -0.973 0 CA-C-N 115.352 -0.84 . . . . 0.0 111.372 -178.893 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.46 HG23 ' O ' ' A' ' 17' ' ' LEU . 52.4 t -59.09 -43.71 89.85 Favored 'Isoleucine or valine' 0 C--O 1.242 0.687 0 C-N-CA 122.754 0.421 . . . . 0.0 110.719 175.686 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 38.9 mt-10 -62.88 -42.63 99.84 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.441 -0.345 . . . . 0.0 110.548 179.27 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 66.2 mttm -82.73 -47.77 11.6 Favored 'General case' 0 C--N 1.316 -0.859 0 N-CA-C 114.193 1.183 . . . . 0.0 114.193 -175.382 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 99.1 m-85 -99.48 -26.47 14.1 Favored 'General case' 0 C--N 1.313 -0.983 0 N-CA-C 114.249 1.203 . . . . 0.0 114.249 -171.177 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . 0.432 ' O ' ' HA ' ' A' ' 21' ' ' VAL . . . 140.4 171.93 12.66 Favored Glycine 0 N--CA 1.434 -1.451 0 C-N-CA 119.041 -1.552 . . . . 0.0 112.849 178.119 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 79.5 m-85 -86.58 -23.46 25.77 Favored 'General case' 0 C--N 1.306 -1.317 0 CA-C-O 121.186 0.517 . . . . 0.0 109.91 -177.643 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 5.9 t -150.43 103.44 3.14 Favored 'General case' 0 N--CA 1.411 -2.406 0 CA-C-O 122.333 1.064 . . . . 0.0 108.601 179.921 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 83.8 t60 -148.05 158.5 44.1 Favored 'General case' 0 C--N 1.289 -2.065 0 N-CA-C 106.704 -1.591 . . . . 0.0 106.704 -179.026 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 98.1 m-70 -48.21 -50.21 30.11 Favored 'General case' 0 N--CA 1.49 1.571 0 C-N-CA 123.688 0.795 . . . . 0.0 112.187 -177.09 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 48.5 mmtm -57.68 -55.52 33.77 Favored 'General case' 0 N--CA 1.466 0.37 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.101 177.772 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 96.5 t -54.97 -47.77 76.17 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.65 0 CA-C-N 114.777 -1.101 . . . . 0.0 111.535 -176.923 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 81.0 mt -61.8 -41.58 91.19 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 C-N-CA 122.314 0.246 . . . . 0.0 110.74 -179.64 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 45.0 m -61.72 -37.59 84.77 Favored 'General case' 0 CA--C 1.551 0.995 0 CA-C-O 121.199 0.523 . . . . 0.0 111.236 -179.716 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . 0.455 ' HB2' HD13 ' A' ' 17' ' ' LEU . 45.3 m-85 -76.91 -31.88 57.02 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.891 0.377 . . . . 0.0 110.621 178.348 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 43.3 m -67.92 -42.26 81.35 Favored 'General case' 0 C--N 1.318 -0.785 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.512 179.766 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 13.5 mm-40 -66.78 -28.65 68.56 Favored 'General case' 0 C--O 1.239 0.532 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.465 178.954 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . 0.566 ' O ' ' HG ' ' A' ' 41' ' ' LEU . 7.4 tp10 -67.45 -43.89 80.0 Favored 'General case' 0 N--CA 1.433 -1.312 0 N-CA-C 108.329 -0.989 . . . . 0.0 108.329 177.028 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.483 HD11 ' HA ' ' A' ' 14' ' ' LYS . 63.7 mt -62.64 -41.83 99.26 Favored 'General case' 0 CA--C 1.495 -1.136 0 CA-C-N 115.966 -0.561 . . . . 0.0 111.591 177.531 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 17.2 t70 -57.82 -43.16 85.55 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-O 121.503 0.668 . . . . 0.0 109.363 178.108 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . 0.429 ' HD3' ' OE2' ' A' ' 37' ' ' GLU . 42.8 ttt180 -65.9 -47.01 76.23 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 114.531 -1.213 . . . . 0.0 110.831 178.391 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.566 ' HG ' ' O ' ' A' ' 37' ' ' GLU . 80.5 mt -66.7 -41.03 88.66 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 120.774 0.321 . . . . 0.0 110.857 -179.013 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 49.4 tp -60.46 -34.28 73.79 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 121.286 0.565 . . . . 0.0 109.93 175.167 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 8.8 t-20 -68.5 -27.59 66.26 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-N 115.652 -0.703 . . . . 0.0 109.933 -178.702 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 84.4 mt -67.55 -31.55 71.71 Favored 'General case' 0 C--N 1.315 -0.92 0 CA-C-N 115.786 -0.643 . . . . 0.0 109.737 177.329 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 87.1 mt -71.8 -32.65 67.83 Favored 'General case' 0 C--O 1.237 0.396 0 N-CA-C 109.047 -0.723 . . . . 0.0 109.047 174.359 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 75.4 mt -67.36 -26.21 35.42 Favored 'Isoleucine or valine' 0 C--O 1.243 0.748 0 CA-C-N 115.65 -0.705 . . . . 0.0 109.734 176.897 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 7.5 tp10 . . . . . 0 C--N 1.316 -0.869 0 N-CA-C 108.765 -0.828 . . . . 0.0 108.765 175.632 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.511 ' HA ' ' O ' ' A' ' 58' ' ' LEU . 25.9 ptm . . . . . 0 N--CA 1.472 0.652 0 N-CA-C 111.832 0.308 . . . . 0.0 111.832 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . 0.527 ' OD1' HG22 ' A' ' 4' ' ' THR . 26.6 t-20 -127.53 131.71 50.03 Favored 'General case' 0 N--CA 1.438 -1.074 0 N-CA-C 110.006 -0.368 . . . . 0.0 110.006 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 35.0 m -69.76 -31.55 48.88 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.667 0 N-CA-C 114.177 1.177 . . . . 0.0 114.177 -175.339 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . 0.527 HG22 ' OD1' ' A' ' 2' ' ' ASN . 2.6 t -77.66 -27.2 50.88 Favored 'General case' 0 C--O 1.235 0.325 0 C-N-CA 118.502 -1.279 . . . . 0.0 109.301 -178.114 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.538 ' O ' ' HD3' ' A' ' 9' ' ' ARG . 35.8 mmtp -69.38 -41.12 76.94 Favored 'General case' 0 N--CA 1.452 -0.354 0 N-CA-C 108.454 -0.943 . . . . 0.0 108.454 174.074 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.542 ' O ' HG13 ' A' ' 10' ' ' ILE . 46.9 tp -59.17 -50.48 73.89 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.503 -0.772 . . . . 0.0 109.14 177.227 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 26.6 t-20 -54.98 -39.94 69.52 Favored 'General case' 0 N--CA 1.474 0.751 0 CA-C-N 115.584 -0.734 . . . . 0.0 110.909 178.174 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 19.2 t70 -65.39 -47.23 77.05 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.324 -0.853 . . . . 0.0 111.545 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . 0.538 ' HD3' ' O ' ' A' ' 5' ' ' LYS . 7.6 mpt_? -63.5 -28.28 69.84 Favored 'General case' 0 C--N 1.316 -0.867 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.635 178.199 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.542 HG13 ' O ' ' A' ' 6' ' ' LEU . 74.3 mt -71.1 -45.73 70.42 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.746 0 N-CA-C 108.524 -0.917 . . . . 0.0 108.524 174.406 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . 0.423 ' HA ' ' HD2' ' A' ' 14' ' ' LYS . 41.7 tt0 -57.99 -47.06 84.11 Favored 'General case' 0 C--N 1.322 -0.63 0 C-N-CA 124.207 1.003 . . . . 0.0 110.657 -178.913 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -65.4 -33.46 76.01 Favored 'General case' 0 C--N 1.313 -0.987 0 CA-C-N 115.442 -0.799 . . . . 0.0 111.245 178.752 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 3.5 tppp? -76.13 -37.01 58.55 Favored 'General case' 0 N--CA 1.446 -0.649 0 N-CA-C 109.285 -0.635 . . . . 0.0 109.285 -176.814 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.574 ' O ' HG13 ' A' ' 18' ' ' ILE . 94.3 mttt -53.08 -52.75 57.59 Favored 'General case' 0 N--CA 1.464 0.274 0 O-C-N 123.366 0.416 . . . . 0.0 110.108 171.006 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 32.1 mmmt -62.27 -40.59 96.73 Favored 'General case' 0 C--O 1.245 0.841 0 CA-C-N 115.893 -0.594 . . . . 0.0 111.917 -178.775 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.449 ' O ' ' HG ' ' A' ' 20' ' ' LEU . 39.6 tt0 -63.7 -43.87 95.34 Favored 'General case' 0 C--N 1.316 -0.876 0 CA-C-N 115.92 -0.582 . . . . 0.0 109.688 178.083 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.516 ' O ' HG23 ' A' ' 21' ' ' VAL . 2.0 tm? -60.48 -46.03 91.6 Favored 'General case' 0 CA--C 1.538 0.502 0 CA-C-N 115.447 -0.797 . . . . 0.0 109.303 179.922 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.574 HG13 ' O ' ' A' ' 14' ' ' LYS . 71.3 mt -56.32 -44.37 79.58 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.164 0 CA-C-O 121.274 0.559 . . . . 0.0 110.444 179.122 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 84.6 t80 -61.82 -39.78 92.98 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-N 115.473 -0.785 . . . . 0.0 110.41 -179.911 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.449 ' HG ' ' O ' ' A' ' 16' ' ' GLU . 88.3 mt -71.94 -31.33 66.22 Favored 'General case' 0 C--N 1.31 -1.122 0 CA-C-N 115.651 -0.704 . . . . 0.0 111.567 -179.154 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.516 HG23 ' O ' ' A' ' 17' ' ' LEU . 73.6 t -63.36 -36.04 74.61 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.56 0 N-CA-C 109.428 -0.582 . . . . 0.0 109.428 176.47 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.409 ' HG2' ' O ' ' A' ' 18' ' ' ILE . 15.3 mm-40 -68.09 -43.63 78.07 Favored 'General case' 0 C--N 1.309 -1.185 0 CA-C-N 115.696 -0.684 . . . . 0.0 111.246 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 54.0 mttp -82.9 -38.58 22.68 Favored 'General case' 0 C--N 1.32 -0.706 0 N-CA-C 115.255 1.576 . . . . 0.0 115.255 -179.583 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 97.4 m-85 -107.26 -38.52 5.95 Favored 'General case' 0 C--N 1.309 -1.176 0 N-CA-C 112.972 0.73 . . . . 0.0 112.972 -174.107 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 106.59 154.39 20.36 Favored Glycine 0 C--N 1.299 -1.475 0 N-CA-C 109.714 -1.354 . . . . 0.0 109.714 -175.808 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 52.9 t80 -75.96 -16.57 59.98 Favored 'General case' 0 C--N 1.308 -1.238 0 CA-C-O 121.317 0.579 . . . . 0.0 111.338 -175.472 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 4.2 m -86.37 -1.67 57.74 Favored 'General case' 0 CA--C 1.553 1.084 0 CA-C-O 121.749 0.785 . . . . 0.0 110.067 -179.721 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 86.7 t60 -78.56 136.35 37.52 Favored 'General case' 0 N--CA 1.439 -0.992 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.353 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 28.7 m80 -49.2 -46.54 45.84 Favored 'General case' 0 N--CA 1.482 1.152 0 C-N-CA 124.898 1.279 . . . . 0.0 112.979 -175.178 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 68.2 mttm -65.29 -40.31 93.68 Favored 'General case' 0 C--O 1.215 -0.748 0 C-N-CA 121.066 -0.253 . . . . 0.0 111.023 -179.05 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 58.5 t -67.08 -38.52 81.39 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.021 0 N-CA-C 109.737 -0.468 . . . . 0.0 109.737 -179.337 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 74.7 mt -62.86 -49.69 82.66 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.646 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.011 176.035 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 10.3 p -64.84 -36.66 85.05 Favored 'General case' 0 CA--C 1.544 0.741 0 N-CA-C 112.611 0.597 . . . . 0.0 112.611 -179.409 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 25.2 m-85 -69.38 -32.62 71.77 Favored 'General case' 0 C--O 1.219 -0.539 0 C-N-CA 120.224 -0.59 . . . . 0.0 110.418 175.663 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 69.9 m -64.81 -36.96 86.01 Favored 'General case' 0 N--CA 1.45 -0.45 0 N-CA-C 110.338 -0.245 . . . . 0.0 110.338 176.219 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 92.4 mt-30 -66.74 -37.31 84.41 Favored 'General case' 0 N--CA 1.466 0.366 0 CA-C-O 121.571 0.701 . . . . 0.0 109.511 176.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 37.9 tt0 -68.76 -42.01 78.06 Favored 'General case' 0 C--N 1.317 -0.825 0 CA-C-N 115.239 -0.892 . . . . 0.0 110.092 179.242 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.447 HD11 ' HG3' ' A' ' 14' ' ' LYS . 32.3 tp -63.17 -41.52 99.25 Favored 'General case' 0 C--N 1.318 -0.802 0 N-CA-C 109.042 -0.725 . . . . 0.0 109.042 177.793 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 12.0 t70 -60.81 -40.25 91.98 Favored 'General case' 0 C--O 1.215 -0.752 0 CA-C-N 114.86 -1.063 . . . . 0.0 110.603 175.808 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 42.8 ttm180 -59.28 -46.55 88.24 Favored 'General case' 0 CA--C 1.537 0.448 0 C-N-CA 123.197 0.599 . . . . 0.0 111.35 179.174 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.488 ' HB3' HG12 ' A' ' 10' ' ' ILE . 9.5 mp -71.99 -34.03 68.59 Favored 'General case' 0 C--N 1.323 -0.585 0 C-N-CA 120.124 -0.63 . . . . 0.0 111.643 179.008 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 6.4 tt -64.76 -40.1 94.72 Favored 'General case' 0 C--N 1.32 -0.705 0 N-CA-C 108.096 -1.076 . . . . 0.0 108.096 177.149 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 27.4 t-20 -60.6 -38.8 85.84 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 114.883 -1.053 . . . . 0.0 110.754 176.61 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 76.1 mt -55.99 -40.74 73.79 Favored 'General case' 0 CA--C 1.513 -0.469 0 O-C-N 123.746 0.653 . . . . 0.0 111.572 178.463 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 90.5 mt -57.22 -48.54 78.56 Favored 'General case' 0 C--O 1.222 -0.364 0 N-CA-C 109.702 -0.481 . . . . 0.0 109.702 177.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 63.1 mt -69.44 -43.45 80.81 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.9 0 CA-C-N 115.481 -0.781 . . . . 0.0 110.576 -178.567 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . 0.543 ' O ' HG22 ' A' ' 50' ' ' THR . 39.5 tt0 -62.5 -50.69 70.41 Favored 'General case' 0 C--N 1.316 -0.852 0 CA-C-N 116.057 -0.519 . . . . 0.0 112.145 -176.829 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.411 HD13 ' HA ' ' A' ' 48' ' ' LEU . 3.4 mm? -70.65 -34.74 72.37 Favored 'General case' 0 C--N 1.303 -1.422 0 C-N-CA 119.239 -0.984 . . . . 0.0 112.183 -179.124 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 61.1 mttm -70.5 -29.52 66.06 Favored 'General case' 0 N--CA 1.467 0.379 0 N-CA-C 112.163 0.431 . . . . 0.0 112.163 177.738 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . 0.543 HG22 ' O ' ' A' ' 47' ' ' GLU . 3.3 t -76.53 -21.33 55.86 Favored 'General case' 0 CA--C 1.547 0.86 0 C-N-CA 120.822 -0.351 . . . . 0.0 110.137 -179.095 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . 0.515 ' O ' ' HG2' ' A' ' 53' ' ' LYS . 28.5 mtpp -90.06 -61.38 1.7 Allowed 'General case' 0 N--CA 1.419 -2.024 0 N-CA-C 107.402 -1.333 . . . . 0.0 107.402 176.491 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . 0.263 21.9 pttp 49.83 -23.42 0.0 OUTLIER 'General case' 0 N--CA 1.515 2.795 0 C-N-CA 128.488 2.715 . . . . 0.0 115.973 -177.287 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . 0.515 ' HG2' ' O ' ' A' ' 51' ' ' LYS . 20.2 ptmt -86.07 12.95 8.45 Favored 'General case' 0 C--N 1.301 -1.523 0 C-N-CA 125.869 1.667 . . . . 0.0 111.327 -179.764 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 19.8 mmm180 -122.4 143.69 49.5 Favored 'General case' 0 C--N 1.281 -2.37 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.216 -177.855 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 85.6 m-85 -54.12 -28.55 40.41 Favored 'General case' 0 N--CA 1.473 0.68 0 O-C-N 124.09 0.868 . . . . 0.0 109.01 174.627 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 2.7 m -51.19 -24.6 4.39 Favored 'General case' 0 CA--C 1.548 0.892 0 C-N-CA 126.437 1.895 . . . . 0.0 112.111 177.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 58.8 tp -61.93 -28.16 69.34 Favored 'General case' 0 CA--C 1.542 0.669 0 CA-C-O 121.819 0.819 . . . . 0.0 108.949 177.546 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.511 ' O ' ' HA ' ' A' ' 1' ' ' MET . 4.0 mp -100.18 -58.81 1.83 Allowed 'General case' 0 N--CA 1.438 -1.058 0 N-CA-C 107.508 -1.293 . . . . 0.0 107.508 174.676 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 8.6 pt-20 -85.3 62.39 7.46 Favored 'General case' 0 C--O 1.249 1.061 0 CA-C-O 122.276 1.036 . . . . 0.0 113.37 -177.929 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 3.8 p-80 -87.39 -26.67 23.21 Favored 'General case' 0 C--N 1.315 -0.921 0 CA-C-N 114.248 -1.342 . . . . 0.0 109.766 175.847 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . 0.447 ' O ' ' HB3' ' A' ' 62' ' ' HIS . 38.0 m80 -146.26 126.05 13.5 Favored 'General case' 0 CA--C 1.486 -1.514 0 N-CA-C 102.402 -3.185 . . . . 0.0 102.402 175.276 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . 0.447 ' HB3' ' O ' ' A' ' 61' ' ' HIS . 23.1 t60 75.89 130.25 0.05 OUTLIER 'General case' 0 N--CA 1.477 0.913 0 O-C-N 124.656 1.222 . . . . 0.0 109.213 -172.903 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 30.2 p80 -112.11 158.34 19.73 Favored 'General case' 0 C--N 1.298 -1.658 0 CA-C-N 116.537 -0.301 . . . . 0.0 110.746 -177.215 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 51.6 m80 . . . . . 0 N--CA 1.416 -2.144 0 N-CA-C 106.994 -1.484 . . . . 0.0 106.994 176.656 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 49.5 tpp . . . . . 0 N--CA 1.452 -0.337 0 N-CA-C 110.667 -0.123 . . . . 0.0 110.667 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 32.9 p30 -146.36 167.57 23.26 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 121.993 -0.442 . . . . 0.0 111.956 -176.902 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 34.4 m -73.67 -28.83 25.33 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.713 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.083 176.735 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 74.8 m -58.56 -54.73 43.8 Favored 'General case' 0 N--CA 1.431 -1.377 0 C-N-CA 123.926 0.89 . . . . 0.0 112.61 -175.628 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 92.1 mttt -70.39 -28.15 64.85 Favored 'General case' 0 C--N 1.302 -1.468 0 CA-C-N 115.976 -0.556 . . . . 0.0 111.408 -178.385 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 44.9 tp -69.52 -46.66 66.0 Favored 'General case' 0 C--N 1.318 -0.801 0 N-CA-C 108.711 -0.848 . . . . 0.0 108.711 176.123 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . 0.425 ' O ' ' HB ' ' A' ' 10' ' ' ILE . 7.8 t30 -60.3 -34.71 74.16 Favored 'General case' 0 N--CA 1.466 0.363 0 CA-C-N 115.448 -0.797 . . . . 0.0 109.747 178.151 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 27.3 t70 -60.24 -32.35 71.06 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 115.409 -0.814 . . . . 0.0 111.35 176.594 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 64.0 mtp180 -65.52 -42.23 92.23 Favored 'General case' 0 N--CA 1.471 0.625 0 N-CA-C 109.021 -0.733 . . . . 0.0 109.021 174.401 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.584 ' O ' ' HG2' ' A' ' 14' ' ' LYS . 1.7 mp -57.85 -49.34 81.36 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.209 0 CA-C-N 115.237 -0.892 . . . . 0.0 109.848 177.555 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . 0.591 ' O ' ' HG2' ' A' ' 15' ' ' LYS . 47.0 mt-10 -64.7 -29.52 70.52 Favored 'General case' 0 C--N 1.319 -0.752 0 N-CA-C 113.116 0.784 . . . . 0.0 113.116 -176.941 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -66.7 -34.41 77.79 Favored 'General case' 0 C--O 1.242 0.71 0 CA-C-O 121.677 0.751 . . . . 0.0 109.713 176.198 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.526 ' HB2' HD11 ' A' ' 38' ' ' LEU . 28.6 mtpp -76.95 -31.05 56.32 Favored 'General case' 0 N--CA 1.442 -0.863 0 N-CA-C 108.567 -0.901 . . . . 0.0 108.567 179.66 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.584 ' HG2' ' O ' ' A' ' 10' ' ' ILE . 31.6 mmmt -63.06 -38.75 92.43 Favored 'General case' 0 C--O 1.216 -0.709 0 CA-C-N 115.412 -0.813 . . . . 0.0 109.839 176.093 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.591 ' HG2' ' O ' ' A' ' 11' ' ' GLU . 33.7 mmtp -65.24 -32.52 74.24 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 109.71 -0.478 . . . . 0.0 109.71 178.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.495 ' O ' ' HG ' ' A' ' 20' ' ' LEU . 9.2 tp10 -74.06 -42.6 59.96 Favored 'General case' 0 N--CA 1.444 -0.731 0 N-CA-C 107.511 -1.292 . . . . 0.0 107.511 -179.02 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.417 ' O ' HG23 ' A' ' 21' ' ' VAL . 13.3 mt -56.49 -43.71 79.96 Favored 'General case' 0 C--O 1.212 -0.893 0 CA-C-N 114.771 -1.104 . . . . 0.0 112.224 175.872 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.488 HG13 ' O ' ' A' ' 14' ' ' LYS . 83.9 mt -56.09 -45.75 80.69 Favored 'Isoleucine or valine' 0 C--O 1.242 0.698 0 O-C-N 123.367 0.417 . . . . 0.0 110.075 177.244 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 76.0 t80 -61.86 -44.79 96.1 Favored 'General case' 0 CA--C 1.533 0.314 0 CA-C-N 115.831 -0.622 . . . . 0.0 109.993 176.652 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.495 ' HG ' ' O ' ' A' ' 16' ' ' GLU . 84.4 mt -62.95 -43.68 98.13 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.546 -179.407 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.417 HG23 ' O ' ' A' ' 17' ' ' LEU . 96.8 t -60.27 -41.46 87.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 CA-C-O 120.78 0.324 . . . . 0.0 110.363 176.556 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 49.0 mt-10 -68.65 -43.18 76.78 Favored 'General case' 0 C--N 1.309 -1.167 0 N-CA-C 112.485 0.55 . . . . 0.0 112.485 177.282 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 20.9 tptm -80.39 -45.76 17.16 Favored 'General case' 0 N--CA 1.42 -1.954 0 N-CA-C 113.303 0.853 . . . . 0.0 113.303 -172.949 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 87.5 m-85 -106.49 -34.86 7.26 Favored 'General case' 0 C--N 1.313 -1.0 0 CA-C-O 120.985 0.421 . . . . 0.0 111.034 -175.852 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 118.05 161.49 11.97 Favored Glycine 0 C--N 1.299 -1.479 0 N-CA-C 111.326 -0.71 . . . . 0.0 111.326 -179.259 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 52.8 p90 -74.71 -36.81 62.7 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 117.525 0.663 . . . . 0.0 110.249 179.187 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 8.4 t -94.07 71.66 3.98 Favored 'General case' 0 N--CA 1.424 -1.76 0 CA-C-O 123.329 1.538 . . . . 0.0 108.96 178.584 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . 0.415 ' O ' HG13 ' A' ' 32' ' ' ILE . 36.7 t60 -137.96 130.74 29.78 Favored 'General case' 0 C--N 1.294 -1.841 0 N-CA-C 105.862 -1.903 . . . . 0.0 105.862 178.738 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 12.5 t-80 -53.03 -45.35 67.97 Favored 'General case' 0 C--N 1.318 -0.796 0 N-CA-C 113.47 0.915 . . . . 0.0 113.47 -171.334 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 33.5 mmtp -66.05 -34.96 79.26 Favored 'General case' 0 C--N 1.32 -0.695 0 C-N-CA 120.333 -0.547 . . . . 0.0 112.203 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 63.6 t -67.34 -39.66 83.22 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.917 0 N-CA-C 108.794 -0.817 . . . . 0.0 108.794 178.153 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.415 HG13 ' O ' ' A' ' 28' ' ' HIS . 70.6 mt -62.58 -42.4 95.78 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.684 0 CA-C-N 115.527 -0.76 . . . . 0.0 109.902 176.737 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 65.8 p -65.81 -33.22 75.34 Favored 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 120.511 -0.476 . . . . 0.0 111.56 178.315 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 44.4 m-85 -70.05 -33.64 72.21 Favored 'General case' 0 C--O 1.213 -0.832 0 C-N-CA 120.69 -0.404 . . . . 0.0 110.556 175.894 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 22.9 t -60.91 -41.07 95.41 Favored 'General case' 0 C--N 1.322 -0.614 0 N-CA-C 109.093 -0.706 . . . . 0.0 109.093 177.618 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . 0.484 ' O ' ' HB3' ' A' ' 39' ' ' ASP . 73.4 mt-30 -67.62 -32.67 73.54 Favored 'General case' 0 N--CA 1.462 0.173 0 CA-C-O 121.309 0.576 . . . . 0.0 110.13 178.537 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 33.8 tt0 -71.32 -45.22 63.53 Favored 'General case' 0 C--N 1.314 -0.947 0 CA-C-N 115.909 -0.587 . . . . 0.0 109.739 178.041 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.526 HD11 ' HB2' ' A' ' 13' ' ' LYS . 4.2 mm? -59.74 -32.62 70.73 Favored 'General case' 0 CA--C 1.508 -0.64 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.98 176.453 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . 0.484 ' HB3' ' O ' ' A' ' 36' ' ' GLN . 8.3 t70 -57.81 -48.13 80.63 Favored 'General case' 0 C--N 1.317 -0.826 0 O-C-N 123.901 0.751 . . . . 0.0 109.561 175.647 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 18.2 mmt180 -70.39 -41.12 73.43 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.489 -0.778 . . . . 0.0 111.431 -177.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -61.68 -44.45 96.92 Favored 'General case' 0 N--CA 1.467 0.41 0 O-C-N 123.41 0.444 . . . . 0.0 110.775 176.16 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 60.0 tp -65.14 -32.36 74.01 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.338 0.589 . . . . 0.0 110.191 179.026 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 3.6 t-20 -70.57 -23.22 62.55 Favored 'General case' 0 N--CA 1.432 -1.359 0 CA-C-N 115.965 -0.561 . . . . 0.0 111.109 -178.132 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 96.1 mt -56.2 -47.21 78.81 Favored 'General case' 0 N--CA 1.471 0.623 0 O-C-N 123.082 0.239 . . . . 0.0 111.371 179.746 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.535 HD23 ' H ' ' A' ' 45' ' ' LEU . 0.7 OUTLIER -71.71 -33.98 69.21 Favored 'General case' 0 C--O 1.211 -0.922 0 C-N-CA 120.09 -0.644 . . . . 0.0 111.707 179.741 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 72.3 mt -65.69 -49.1 79.75 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.607 0 CA-C-O 121.33 0.586 . . . . 0.0 109.584 178.098 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 9.1 tp10 -60.46 -49.11 78.87 Favored 'General case' 0 C--N 1.318 -0.793 0 C-N-CA 124.464 1.106 . . . . 0.0 110.354 -179.457 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -67.26 -38.78 85.68 Favored 'General case' 0 N--CA 1.443 -0.792 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.272 -178.411 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 88.5 tttt -64.53 -30.93 71.96 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-O 120.876 0.369 . . . . 0.0 110.652 -179.066 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 28.4 m -75.36 -36.34 60.98 Favored 'General case' 0 CA--C 1.552 1.052 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.894 -179.424 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 63.2 mttp -80.26 -53.54 6.56 Favored 'General case' 0 N--CA 1.438 -1.042 0 O-C-N 122.106 -0.372 . . . . 0.0 110.114 177.286 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 65.5 pttt 49.13 13.71 0.07 Allowed 'General case' 0 N--CA 1.505 2.284 0 C-N-CA 127.792 2.437 . . . . 0.0 114.281 -178.472 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 58.7 pttt -112.78 8.88 18.98 Favored 'General case' 0 C--N 1.296 -1.73 0 CA-C-O 121.093 0.473 . . . . 0.0 110.672 -175.941 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 32.4 mtm180 -101.07 161.54 13.53 Favored 'General case' 0 C--N 1.312 -1.053 0 C-N-CA 119.567 -0.853 . . . . 0.0 110.354 -178.149 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 8.0 p90 -64.03 -3.3 2.5 Favored 'General case' 0 C--N 1.31 -1.143 0 C-N-CA 124.421 1.088 . . . . 0.0 112.867 179.169 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . 0.436 ' HA ' ' HG3' ' A' ' 59' ' ' GLU . 12.0 m -64.18 -15.71 60.43 Favored 'General case' 0 CA--C 1.538 0.511 0 C-N-CA 123.922 0.889 . . . . 0.0 111.829 178.735 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 90.2 mt -77.71 -13.34 59.93 Favored 'General case' 0 C--O 1.218 -0.561 0 N-CA-C 108.888 -0.782 . . . . 0.0 108.888 176.381 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 3.5 mp -108.27 -81.24 0.57 Allowed 'General case' 0 N--CA 1.432 -1.368 0 N-CA-C 107.234 -1.395 . . . . 0.0 107.234 175.337 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . 0.436 ' HG3' ' HA ' ' A' ' 56' ' ' SER 0.313 43.8 mt-10 39.53 -89.7 0.01 OUTLIER 'General case' 0 C--O 1.239 0.547 0 N-CA-C 116.308 1.966 . . . . 0.0 116.308 -174.763 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 13.6 t-80 -143.55 151.22 39.96 Favored 'General case' 0 C--N 1.275 -2.661 0 N-CA-C 107.481 -1.303 . . . . 0.0 107.481 -176.653 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 40.7 m-70 -69.11 -43.66 74.02 Favored 'General case' 0 C--N 1.316 -0.874 0 C-N-CA 120.545 -0.462 . . . . 0.0 110.863 -178.545 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 48.8 t-80 -94.75 126.85 40.33 Favored 'General case' 0 C--N 1.312 -1.033 0 N-CA-C 109.439 -0.578 . . . . 0.0 109.439 176.293 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 26.7 m-70 -82.19 100.11 9.66 Favored 'General case' 0 C--N 1.307 -1.272 0 CA-C-O 121.253 0.549 . . . . 0.0 110.774 177.136 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 81.6 t60 . . . . . 0 C--N 1.294 -1.835 0 N-CA-C 107.4 -1.333 . . . . 0.0 107.4 178.151 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 45.5 ttm . . . . . 0 CA--C 1.518 -0.272 0 N-CA-C 109.46 -0.57 . . . . 0.0 109.46 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 2.2 m-20 -109.77 131.69 54.83 Favored 'General case' 0 C--N 1.311 -1.074 0 N-CA-C 108.24 -1.022 . . . . 0.0 108.24 177.032 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 28.0 m -70.03 -31.88 49.32 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.965 0 C-N-CA 120.835 -0.346 . . . . 0.0 110.793 -179.766 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 11.1 t -64.19 -35.95 82.46 Favored 'General case' 0 N--CA 1.445 -0.715 0 N-CA-C 109.303 -0.628 . . . . 0.0 109.303 176.765 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.433 ' O ' ' HG3' ' A' ' 9' ' ' ARG . 55.2 mttm -78.32 -27.33 47.14 Favored 'General case' 0 N--CA 1.437 -1.124 0 N-CA-C 112.933 0.716 . . . . 0.0 112.933 178.759 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 43.0 tp -66.48 -45.78 78.51 Favored 'General case' 0 C--N 1.313 -0.979 0 N-CA-C 108.331 -0.988 . . . . 0.0 108.331 175.033 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . 0.483 ' O ' ' HB ' ' A' ' 10' ' ' ILE . 0.2 OUTLIER -67.21 -31.93 72.65 Favored 'General case' 0 CA--C 1.539 0.538 0 N-CA-C 108.93 -0.767 . . . . 0.0 108.93 177.62 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 17.1 t70 -58.66 -37.96 77.12 Favored 'General case' 0 N--CA 1.479 1.016 0 C-N-CA 123.568 0.747 . . . . 0.0 110.558 176.037 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . 0.433 ' HG3' ' O ' ' A' ' 5' ' ' LYS . 97.2 mtt180 -65.79 -37.5 86.47 Favored 'General case' 0 CA--C 1.507 -0.684 0 CA-C-N 116.062 -0.517 . . . . 0.0 109.687 177.605 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.519 HG12 ' HB3' ' A' ' 41' ' ' LEU . 68.4 mt -60.26 -47.11 93.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 N-CA-C 108.756 -0.831 . . . . 0.0 108.756 176.292 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . 0.445 ' HG2' ' O ' ' A' ' 7' ' ' ASN . 38.5 mm-40 -58.48 -45.81 87.91 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.44 -0.8 . . . . 0.0 111.13 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -67.51 -30.53 70.23 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.983 179.004 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 18.6 tptm -76.6 -34.32 58.39 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 109.622 -0.51 . . . . 0.0 109.622 -178.702 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.547 ' O ' HG13 ' A' ' 18' ' ' ILE . 91.9 mttt -59.66 -49.21 78.63 Favored 'General case' 0 C--O 1.217 -0.656 0 CA-C-N 115.973 -0.558 . . . . 0.0 109.622 173.85 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.453 ' HD3' HD12 ' A' ' 18' ' ' ILE . 75.0 mmtt -65.2 -32.49 74.2 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.356 -179.52 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.558 ' O ' ' HG ' ' A' ' 20' ' ' LEU . 34.7 tt0 -69.89 -43.66 71.32 Favored 'General case' 0 C--N 1.32 -0.709 0 N-CA-C 107.36 -1.348 . . . . 0.0 107.36 -179.671 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.447 ' O ' HG23 ' A' ' 21' ' ' VAL . 11.5 mt -61.66 -41.28 97.32 Favored 'General case' 0 N--CA 1.439 -1.002 0 CA-C-N 114.566 -1.197 . . . . 0.0 112.487 176.37 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.547 HG13 ' O ' ' A' ' 14' ' ' LYS . 79.2 mt -56.95 -43.35 80.51 Favored 'Isoleucine or valine' 0 C--O 1.239 0.551 0 N-CA-C 109.995 -0.372 . . . . 0.0 109.995 177.171 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 79.7 t80 -64.98 -39.77 93.98 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.705 177.26 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.558 ' HG ' ' O ' ' A' ' 16' ' ' GLU . 84.9 mt -66.02 -38.71 89.14 Favored 'General case' 0 C--N 1.31 -1.12 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.827 178.766 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.447 HG23 ' O ' ' A' ' 17' ' ' LEU . 64.0 t -63.33 -32.39 56.31 Favored 'Isoleucine or valine' 0 CA--C 1.554 1.116 0 CA-C-O 121.302 0.573 . . . . 0.0 110.12 173.795 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 18.5 mm-40 -68.08 -52.46 34.85 Favored 'General case' 0 C--N 1.317 -0.809 0 O-C-N 121.864 -0.522 . . . . 0.0 110.972 175.338 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 34.7 mmtp -77.78 -47.55 18.71 Favored 'General case' 0 C--N 1.32 -0.717 0 N-CA-C 114.141 1.163 . . . . 0.0 114.141 -176.264 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 69.2 m-85 -100.79 -40.86 7.11 Favored 'General case' 0 C--N 1.301 -1.513 0 CA-C-O 120.982 0.42 . . . . 0.0 110.596 -175.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . 0.405 ' HA2' ' O ' ' A' ' 21' ' ' VAL . . . 106.86 -147.68 16.26 Favored Glycine 0 C--N 1.301 -1.38 0 N-CA-C 111.171 -0.772 . . . . 0.0 111.171 -179.371 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 38.1 p90 -124.58 177.4 5.96 Favored 'General case' 0 C--N 1.304 -1.376 0 N-CA-C 108.751 -0.833 . . . . 0.0 108.751 177.537 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 41.1 p 56.99 20.58 5.5 Favored 'General case' 0 N--CA 1.484 1.254 0 C-N-CA 124.904 1.281 . . . . 0.0 111.6 -173.699 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 39.4 t60 -104.84 132.56 50.93 Favored 'General case' 0 N--CA 1.429 -1.517 0 N-CA-C 107.465 -1.309 . . . . 0.0 107.465 -177.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 11.6 m170 -50.12 -45.48 52.91 Favored 'General case' 0 N--CA 1.488 1.453 0 N-CA-C 114.078 1.14 . . . . 0.0 114.078 -173.858 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 55.9 mttm -62.74 -49.46 74.94 Favored 'General case' 0 C--N 1.322 -0.619 0 N-CA-C 109.268 -0.641 . . . . 0.0 109.268 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 58.8 t -60.85 -44.55 97.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 115.348 -0.842 . . . . 0.0 110.817 -178.776 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 87.7 mt -57.76 -44.6 86.23 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.521 0 CA-C-O 121.107 0.48 . . . . 0.0 110.194 177.641 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . 0.456 ' O ' ' HG3' ' A' ' 37' ' ' GLU . 41.3 m -64.42 -39.17 93.32 Favored 'General case' 0 C--N 1.316 -0.848 0 CA-C-N 115.83 -0.623 . . . . 0.0 111.517 -179.799 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 42.2 m-85 -70.97 -36.05 72.39 Favored 'General case' 0 C--O 1.238 0.464 0 CA-C-O 120.948 0.404 . . . . 0.0 110.617 177.498 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 27.7 t -63.22 -40.94 98.89 Favored 'General case' 0 C--N 1.319 -0.749 0 C-N-CA 123.924 0.89 . . . . 0.0 110.415 -179.686 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 78.1 mt-30 -67.42 -31.56 71.84 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.463 -0.335 . . . . 0.0 111.314 178.201 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . 0.57 ' O ' ' HG ' ' A' ' 41' ' ' LEU . 50.0 mt-10 -67.12 -37.47 83.92 Favored 'General case' 0 C--O 1.214 -0.776 0 N-CA-C 109.515 -0.55 . . . . 0.0 109.515 176.552 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -60.58 -45.37 94.21 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 108.906 -0.776 . . . . 0.0 108.906 179.925 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 29.7 t70 -63.93 -39.48 94.26 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.903 -0.59 . . . . 0.0 110.911 177.262 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . 0.406 ' O ' ' HG ' ' A' ' 44' ' ' LEU . 30.1 tpt180 -63.99 -35.91 82.24 Favored 'General case' 0 CA--C 1.535 0.386 0 CA-C-N 116.504 -0.316 . . . . 0.0 110.652 175.808 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.57 ' HG ' ' O ' ' A' ' 37' ' ' GLU . 90.7 mt -63.54 -41.85 98.43 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 110.314 -0.254 . . . . 0.0 110.314 177.607 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -61.38 -41.71 97.55 Favored 'General case' 0 N--CA 1.475 0.814 0 CA-C-O 121.823 0.82 . . . . 0.0 109.924 174.264 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 22.2 m-80 -67.65 -17.42 64.59 Favored 'General case' 0 C--O 1.205 -1.288 0 CA-C-N 114.718 -1.128 . . . . 0.0 112.76 179.728 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.586 ' O ' ' HG ' ' A' ' 48' ' ' LEU . 88.6 mt -66.65 -42.37 86.75 Favored 'General case' 0 C--O 1.215 -0.715 0 N-CA-C 109.965 -0.383 . . . . 0.0 109.965 175.495 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -65.0 -37.72 88.58 Favored 'General case' 0 N--CA 1.47 0.555 0 CA-C-O 121.343 0.592 . . . . 0.0 109.426 177.41 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 74.2 mt -66.56 -41.37 88.29 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.695 0 CA-C-N 115.218 -0.901 . . . . 0.0 109.888 178.125 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . 0.429 ' HG2' ' HE2' ' A' ' 51' ' ' LYS . 35.2 tt0 -72.15 -31.46 66.0 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 115.61 -0.723 . . . . 0.0 110.721 -178.705 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.586 ' HG ' ' O ' ' A' ' 44' ' ' LEU . 28.0 mt -57.9 -35.32 70.87 Favored 'General case' 0 CA--C 1.51 -0.571 0 CA-C-O 121.194 0.521 . . . . 0.0 111.454 175.569 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 24.2 tptm -63.37 -43.88 96.35 Favored 'General case' 0 C--N 1.31 -1.124 0 CA-C-N 115.283 -0.871 . . . . 0.0 109.3 177.285 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 6.3 m -69.47 -17.56 63.63 Favored 'General case' 0 CA--C 1.562 1.438 0 CA-C-N 115.199 -0.91 . . . . 0.0 112.061 -177.427 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . 0.448 ' HG2' ' HA ' ' A' ' 48' ' ' LEU . 75.6 mmtt -65.72 -16.58 63.9 Favored 'General case' 0 N--CA 1.482 1.132 0 N-CA-C 112.368 0.507 . . . . 0.0 112.368 -177.516 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . 0.463 ' HA ' HD13 ' A' ' 57' ' ' LEU 0.287 23.2 pttm 62.72 -19.31 0.05 OUTLIER 'General case' 0 N--CA 1.505 2.299 0 C-N-CA 126.785 2.034 . . . . 0.0 115.297 -179.004 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 11.4 ptmm? -82.24 -4.4 57.03 Favored 'General case' 0 C--N 1.308 -1.236 0 CA-C-O 121.474 0.654 . . . . 0.0 111.424 177.005 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 22.9 mmm180 -88.8 144.2 26.39 Favored 'General case' 0 N--CA 1.434 -1.251 0 N-CA-C 107.635 -1.246 . . . . 0.0 107.635 174.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 62.7 m-85 -62.02 -31.95 72.39 Favored 'General case' 0 C--N 1.311 -1.087 0 N-CA-C 113.137 0.791 . . . . 0.0 113.137 -170.293 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 12.8 p -67.34 -13.54 62.09 Favored 'General case' 0 C--N 1.316 -0.851 0 N-CA-C 114.211 1.189 . . . . 0.0 114.211 -176.328 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.463 HD13 ' HA ' ' A' ' 52' ' ' LYS . 10.3 tt -87.25 -30.82 20.64 Favored 'General case' 0 N--CA 1.45 -0.427 0 C-N-CA 119.061 -1.056 . . . . 0.0 109.807 176.933 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 4.7 mp -81.75 -55.15 4.81 Favored 'General case' 0 C--N 1.316 -0.887 0 N-CA-C 108.083 -1.08 . . . . 0.0 108.083 178.429 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 37.6 mt-10 -102.52 89.87 3.67 Favored 'General case' 0 N--CA 1.425 -1.714 0 N-CA-C 107.689 -1.226 . . . . 0.0 107.689 -179.266 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 40.4 t-80 -106.69 101.6 11.04 Favored 'General case' 0 C--N 1.296 -1.73 0 CA-C-N 115.486 -0.779 . . . . 0.0 109.708 -175.636 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 41.2 m-70 -86.47 122.32 30.25 Favored 'General case' 0 C--N 1.294 -1.824 0 N-CA-C 108.185 -1.043 . . . . 0.0 108.185 178.88 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 33.9 t-80 -97.78 102.06 13.72 Favored 'General case' 0 C--N 1.287 -2.122 0 N-CA-C 108.799 -0.815 . . . . 0.0 108.799 -178.755 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 6.7 t60 -96.18 112.99 24.55 Favored 'General case' 0 C--N 1.298 -1.668 0 N-CA-C 107.657 -1.238 . . . . 0.0 107.657 178.597 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 4.9 t60 . . . . . 0 C--N 1.289 -2.063 0 N-CA-C 106.791 -1.559 . . . . 0.0 106.791 -179.047 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 86.4 mmm . . . . . 0 CA--C 1.51 -0.558 0 CA-C-O 120.745 0.307 . . . . 0.0 110.706 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 1.5 m-20 -76.54 86.88 3.24 Favored 'General case' 0 C--N 1.318 -0.795 0 CA-C-N 116.171 -0.468 . . . . 0.0 109.911 -176.494 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 26.9 m -66.82 -17.92 23.4 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.636 0 N-CA-C 112.252 0.464 . . . . 0.0 112.252 -178.198 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 8.8 t -62.61 -27.27 69.08 Favored 'General case' 0 C--N 1.318 -0.776 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.329 175.163 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 7.0 mtpm? -75.84 -28.73 58.34 Favored 'General case' 0 N--CA 1.445 -0.676 0 N-CA-C 109.7 -0.481 . . . . 0.0 109.7 -179.755 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.458 ' O ' HG13 ' A' ' 10' ' ' ILE . 2.0 tm? -70.13 -40.32 74.89 Favored 'General case' 0 N--CA 1.448 -0.539 0 N-CA-C 107.118 -1.438 . . . . 0.0 107.118 177.302 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 24.9 t-20 -60.48 -40.71 92.28 Favored 'General case' 0 C--O 1.244 0.782 0 CA-C-N 115.574 -0.739 . . . . 0.0 110.104 176.212 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 15.2 t70 -61.49 -40.47 94.7 Favored 'General case' 0 C--O 1.244 0.807 0 CA-C-N 115.28 -0.873 . . . . 0.0 110.967 176.096 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 73.2 mtp180 -62.65 -40.17 96.21 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.721 -0.672 . . . . 0.0 110.418 176.209 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.458 HG13 ' O ' ' A' ' 6' ' ' LEU . 71.2 mt -60.74 -46.61 95.71 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.339 0 N-CA-C 109.495 -0.558 . . . . 0.0 109.495 177.014 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 16.5 mm-40 -55.94 -44.79 78.74 Favored 'General case' 0 N--CA 1.469 0.49 0 O-C-N 123.264 0.352 . . . . 0.0 111.295 177.369 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -63.34 -37.64 88.07 Favored 'General case' 0 C--O 1.242 0.667 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.723 -179.791 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 50.9 tptt -72.61 -36.33 68.07 Favored 'General case' 0 N--CA 1.449 -0.483 0 CA-C-N 115.931 -0.577 . . . . 0.0 109.581 -178.601 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.416 ' HG2' HD11 ' A' ' 38' ' ' LEU . 9.3 mtpm? -62.26 -48.02 81.75 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.743 -0.662 . . . . 0.0 110.654 176.908 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 30.0 mtpp -59.28 -39.84 84.18 Favored 'General case' 0 C--O 1.25 1.108 0 CA-C-O 121.32 0.581 . . . . 0.0 110.167 177.093 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.497 ' O ' ' HG ' ' A' ' 20' ' ' LEU . 36.4 tt0 -66.48 -50.61 62.72 Favored 'General case' 0 N--CA 1.442 -0.843 0 CA-C-N 115.046 -0.979 . . . . 0.0 110.557 179.486 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.48 ' O ' HG23 ' A' ' 21' ' ' VAL . 52.7 tp -59.52 -41.31 89.7 Favored 'General case' 0 C--O 1.215 -0.718 0 CA-C-N 116.464 -0.335 . . . . 0.0 111.757 -177.753 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 79.1 mt -56.65 -43.1 78.21 Favored 'Isoleucine or valine' 0 C--O 1.238 0.484 0 CA-C-O 120.891 0.376 . . . . 0.0 110.018 176.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 85.5 t80 -67.26 -40.87 86.29 Favored 'General case' 0 CA--C 1.541 0.624 0 CA-C-N 115.767 -0.651 . . . . 0.0 110.688 178.03 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.51 HD13 ' CD2' ' A' ' 34' ' ' PHE . 85.1 mt -65.65 -37.4 86.42 Favored 'General case' 0 C--N 1.318 -0.773 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.514 -179.242 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.48 HG23 ' O ' ' A' ' 17' ' ' LEU . 87.6 t -64.04 -37.98 81.24 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.431 0 CA-C-O 121.247 0.546 . . . . 0.0 109.684 175.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 47.6 mm-40 -66.97 -40.34 87.41 Favored 'General case' 0 C--N 1.314 -0.973 0 CA-C-N 115.935 -0.575 . . . . 0.0 111.157 178.175 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 30.3 mmmt -82.26 -47.6 12.23 Favored 'General case' 0 C--N 1.31 -1.136 0 N-CA-C 113.564 0.95 . . . . 0.0 113.564 -175.922 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 90.3 m-85 -96.45 -39.03 9.78 Favored 'General case' 0 C--N 1.306 -1.307 0 CA-C-O 120.897 0.379 . . . . 0.0 111.967 -174.267 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 127.32 -169.45 19.16 Favored Glycine 0 N--CA 1.434 -1.435 0 N-CA-C 110.098 -1.201 . . . . 0.0 110.098 -177.414 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 38.6 p90 -113.22 -28.51 7.6 Favored 'General case' 0 C--N 1.309 -1.183 0 CA-C-N 117.424 0.612 . . . . 0.0 112.243 -179.314 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 12.6 p -89.94 -0.09 57.38 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.435 0.636 . . . . 0.0 111.252 178.753 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 23.1 t60 -66.66 127.01 30.77 Favored 'General case' 0 CA--C 1.538 0.5 0 N-CA-C 107.574 -1.269 . . . . 0.0 107.574 177.476 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 32.4 m170 -58.38 -39.51 79.8 Favored 'General case' 0 N--CA 1.477 0.925 0 N-CA-C 114.01 1.115 . . . . 0.0 114.01 -172.629 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 33.7 mmtp -65.79 -34.97 79.39 Favored 'General case' 0 C--O 1.214 -0.791 0 C-N-CA 120.775 -0.37 . . . . 0.0 111.507 177.724 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 94.5 t -66.24 -39.91 85.5 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.658 0 N-CA-C 109.588 -0.523 . . . . 0.0 109.588 178.231 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.432 ' O ' ' HG3' ' A' ' 36' ' ' GLN . 68.3 mt -64.45 -37.23 79.47 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.692 0 N-CA-C 109.084 -0.71 . . . . 0.0 109.084 175.87 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 29.2 t -65.97 -36.38 83.15 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.991 -0.549 . . . . 0.0 110.156 177.772 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . 0.51 ' CD2' HD13 ' A' ' 20' ' ' LEU . 20.8 m-85 -72.71 -30.46 64.21 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 121.034 0.445 . . . . 0.0 109.903 178.007 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 42.7 m -66.66 -37.98 85.91 Favored 'General case' 0 N--CA 1.446 -0.671 0 N-CA-C 109.002 -0.74 . . . . 0.0 109.002 175.263 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . 0.432 ' HG3' ' O ' ' A' ' 32' ' ' ILE . 79.2 mt-30 -63.12 -38.27 90.51 Favored 'General case' 0 C--O 1.223 -0.319 0 CA-C-N 115.722 -0.672 . . . . 0.0 109.647 175.596 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . 0.419 ' O ' ' HG ' ' A' ' 41' ' ' LEU . 25.7 mm-40 -64.48 -41.56 96.41 Favored 'General case' 0 C--O 1.219 -0.522 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.874 177.268 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.416 HD11 ' HG2' ' A' ' 14' ' ' LYS . 5.7 tt -59.45 -51.52 69.55 Favored 'General case' 0 C--O 1.237 0.411 0 N-CA-C 108.481 -0.933 . . . . 0.0 108.481 178.833 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 13.6 t70 -59.88 -40.25 88.06 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 115.204 -0.907 . . . . 0.0 111.167 178.326 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . 0.414 ' O ' ' HG ' ' A' ' 44' ' ' LEU . 38.1 ttm180 -64.12 -41.94 97.05 Favored 'General case' 0 C--N 1.311 -1.094 0 CA-C-N 115.561 -0.745 . . . . 0.0 111.092 179.425 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.419 ' HG ' ' O ' ' A' ' 37' ' ' GLU . 96.1 mt -66.35 -42.33 88.21 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.695 0.283 . . . . 0.0 110.398 177.263 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 63.1 tp -60.94 -42.52 98.34 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 121.137 0.494 . . . . 0.0 110.478 178.146 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 18.5 m-80 -68.38 -17.94 64.35 Favored 'General case' 0 C--N 1.314 -0.973 0 N-CA-C 112.92 0.711 . . . . 0.0 112.92 -179.447 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.414 ' HG ' ' O ' ' A' ' 40' ' ' ARG . 93.5 mt -64.73 -38.94 92.69 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 109.425 -0.583 . . . . 0.0 109.425 175.673 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 99.1 mt -62.83 -47.72 82.19 Favored 'General case' 0 CA--C 1.516 -0.328 0 N-CA-C 109.211 -0.663 . . . . 0.0 109.211 176.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 1.8 mp -58.71 -46.8 90.39 Favored 'Isoleucine or valine' 0 C--O 1.239 0.525 0 CA-C-N 115.135 -0.939 . . . . 0.0 111.08 179.341 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -60.66 -54.13 49.02 Favored 'General case' 0 CA--C 1.507 -0.702 0 N-CA-C 112.593 0.59 . . . . 0.0 112.593 179.218 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -63.16 -33.08 74.71 Favored 'General case' 0 C--N 1.322 -0.615 0 N-CA-C 112.251 0.463 . . . . 0.0 112.251 -177.713 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 55.5 tttp -67.14 -49.75 63.72 Favored 'General case' 0 C--N 1.316 -0.865 0 CA-C-N 115.857 -0.61 . . . . 0.0 110.195 177.131 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 19.5 m -76.79 -42.34 41.04 Favored 'General case' 0 CA--C 1.548 0.884 0 CA-C-N 115.728 -0.669 . . . . 0.0 112.124 -174.499 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 97.6 mttt -71.77 -45.15 62.58 Favored 'General case' 0 CA--C 1.507 -0.685 0 N-CA-C 109.733 -0.469 . . . . 0.0 109.733 -179.526 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . 0.406 ' HA ' ' HG ' ' A' ' 57' ' ' LEU . 12.8 ptmm? 41.78 32.11 0.25 Allowed 'General case' 0 N--CA 1.498 1.953 0 C-N-CA 126.38 1.872 . . . . 0.0 113.988 178.055 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 20.1 ptmt -101.07 -8.33 22.41 Favored 'General case' 0 C--N 1.285 -2.198 0 CA-C-N 115.564 -0.744 . . . . 0.0 111.894 -175.812 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 70.0 mtt180 -87.75 150.41 23.6 Favored 'General case' 0 C--N 1.313 -1.018 0 C-N-CA 120.409 -0.516 . . . . 0.0 109.704 176.685 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 95.2 m-85 -53.07 -23.14 7.12 Favored 'General case' 0 C--N 1.322 -0.61 0 N-CA-C 115.807 1.78 . . . . 0.0 115.807 -169.83 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 23.8 m -61.97 -24.92 67.31 Favored 'General case' 0 CA--C 1.548 0.9 0 CA-C-O 120.982 0.42 . . . . 0.0 111.369 178.004 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.406 ' HG ' ' HA ' ' A' ' 52' ' ' LYS . 4.0 mm? -99.24 -1.15 39.85 Favored 'General case' 0 C--O 1.24 0.605 0 CA-C-N 116.388 -0.369 . . . . 0.0 111.372 -178.682 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 7.9 mp -111.66 -58.37 2.13 Favored 'General case' 0 C--N 1.312 -1.024 0 CA-C-O 121.218 0.532 . . . . 0.0 110.254 -178.003 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 36.2 mt-10 -138.6 -159.48 0.96 Allowed 'General case' 0 N--CA 1.435 -1.202 0 N-CA-C 107.863 -1.162 . . . . 0.0 107.863 -173.665 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 36.6 m80 -104.9 102.52 12.04 Favored 'General case' 0 C--N 1.293 -1.865 0 N-CA-C 108.072 -1.084 . . . . 0.0 108.072 175.347 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 24.2 p80 -81.66 103.01 11.06 Favored 'General case' 0 N--CA 1.432 -1.371 0 N-CA-C 105.951 -1.87 . . . . 0.0 105.951 171.508 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 94.2 m-70 -50.67 108.24 0.22 Allowed 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 114.115 -1.402 . . . . 0.0 112.873 -171.279 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 49.9 t-80 -143.2 155.33 44.51 Favored 'General case' 0 C--N 1.295 -1.781 0 N-CA-C 106.533 -1.654 . . . . 0.0 106.533 -178.334 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 72.3 m-70 . . . . . 0 N--CA 1.421 -1.894 0 N-CA-C 109.102 -0.703 . . . . 0.0 109.102 -177.836 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.418 ' HG2' ' O ' ' A' ' 56' ' ' SER . 27.2 ptm . . . . . 0 CA--C 1.504 -0.814 0 N-CA-C 109.181 -0.674 . . . . 0.0 109.181 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 44.8 t-20 -70.36 139.28 51.91 Favored 'General case' 0 C--N 1.307 -1.251 0 N-CA-C 108.91 -0.774 . . . . 0.0 108.91 -179.787 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 34.4 m -61.9 -26.27 39.45 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.195 0 N-CA-C 113.167 0.802 . . . . 0.0 113.167 -176.33 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 15.3 t -65.04 -26.82 68.42 Favored 'General case' 0 CA--C 1.542 0.661 0 CA-C-O 121.403 0.621 . . . . 0.0 109.858 177.504 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 75.4 mmtt -76.3 -28.01 56.81 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.765 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 35.8 tp -71.33 -38.16 71.7 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 107.768 -1.197 . . . . 0.0 107.768 175.792 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . 0.448 ' HA ' HD12 ' A' ' 10' ' ' ILE . 2.7 t-20 -67.81 -31.43 71.29 Favored 'General case' 0 CA--C 1.545 0.788 0 CA-C-N 115.158 -0.928 . . . . 0.0 109.632 176.031 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 18.6 t70 -67.68 -38.5 83.79 Favored 'General case' 0 N--CA 1.47 0.567 0 CA-C-N 115.738 -0.664 . . . . 0.0 110.006 176.204 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 36.7 mmt180 -59.08 -38.79 80.32 Favored 'General case' 0 N--CA 1.472 0.667 0 CA-C-N 116.142 -0.481 . . . . 0.0 109.996 175.558 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.594 ' O ' ' HG3' ' A' ' 14' ' ' LYS . 80.5 mt -62.54 -50.55 79.36 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.496 0 CA-C-N 115.35 -0.841 . . . . 0.0 109.122 176.639 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . 0.531 ' O ' ' HG2' ' A' ' 15' ' ' LYS . 42.3 tt0 -54.11 -50.17 67.49 Favored 'General case' 0 CA--C 1.512 -0.513 0 O-C-N 123.814 0.696 . . . . 0.0 111.292 -178.408 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -59.02 -35.09 72.69 Favored 'General case' 0 C--N 1.318 -0.781 0 CA-C-N 115.632 -0.713 . . . . 0.0 111.159 179.82 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.419 ' O ' ' HB3' ' A' ' 16' ' ' GLU . 23.8 ttmm -77.64 -30.7 52.33 Favored 'General case' 0 N--CA 1.441 -0.882 0 CA-C-N 116.055 -0.52 . . . . 0.0 111.158 -179.31 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.594 ' HG3' ' O ' ' A' ' 10' ' ' ILE . 56.1 mtpt -62.42 -42.64 99.59 Favored 'General case' 0 C--N 1.32 -0.701 0 N-CA-C 109.395 -0.594 . . . . 0.0 109.395 176.638 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.531 ' HG2' ' O ' ' A' ' 11' ' ' GLU . 27.7 mmmt -65.29 -41.98 93.56 Favored 'General case' 0 C--O 1.246 0.896 0 N-CA-C 108.559 -0.904 . . . . 0.0 108.559 179.473 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.419 ' HB3' ' O ' ' A' ' 13' ' ' LYS . 36.4 tt0 -57.82 -50.78 72.13 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 113.744 -1.571 . . . . 0.0 110.484 178.32 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.537 ' O ' HG23 ' A' ' 21' ' ' VAL . 51.9 tp -60.3 -41.14 92.82 Favored 'General case' 0 N--CA 1.444 -0.764 0 CA-C-N 115.988 -0.551 . . . . 0.0 111.496 -179.07 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.522 ' O ' ' HG2' ' A' ' 22' ' ' GLU . 71.1 mt -59.43 -46.67 92.53 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.524 0 N-CA-C 109.61 -0.515 . . . . 0.0 109.61 177.826 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 62.1 t80 -57.16 -45.4 83.66 Favored 'General case' 0 C--O 1.242 0.676 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.592 177.93 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 90.4 mt -67.43 -34.74 77.84 Favored 'General case' 0 C--N 1.31 -1.131 0 CA-C-N 115.273 -0.876 . . . . 0.0 112.541 -178.345 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.537 HG23 ' O ' ' A' ' 17' ' ' LEU . 89.8 t -67.12 -39.21 82.69 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.51 0 N-CA-C 109.537 -0.542 . . . . 0.0 109.537 177.119 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.522 ' HG2' ' O ' ' A' ' 18' ' ' ILE . 33.1 mm-40 -62.24 -38.69 90.22 Favored 'General case' 0 C--N 1.316 -0.867 0 CA-C-N 115.877 -0.602 . . . . 0.0 110.548 177.876 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 73.8 mmtt -78.49 -47.52 17.22 Favored 'General case' 0 C--N 1.32 -0.687 0 N-CA-C 113.126 0.787 . . . . 0.0 113.126 -178.18 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . 0.468 ' HB3' ' CD2' ' A' ' 28' ' ' HIS . 65.5 m-85 -89.02 -39.15 13.88 Favored 'General case' 0 C--N 1.307 -1.276 0 N-CA-C 114.065 1.135 . . . . 0.0 114.065 -175.187 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 129.04 156.23 8.83 Favored Glycine 0 C--N 1.303 -1.265 0 C-N-CA 119.849 -1.167 . . . . 0.0 111.306 -177.794 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 81.2 m-85 -65.77 123.24 19.21 Favored 'General case' 0 C--N 1.315 -0.893 0 CA-C-O 120.826 0.346 . . . . 0.0 111.397 179.181 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 15.1 m 62.48 24.87 14.82 Favored 'General case' 0 CA--C 1.564 1.498 0 CA-C-O 122.276 1.036 . . . . 0.0 111.403 176.375 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . 0.468 ' CD2' ' HB3' ' A' ' 24' ' ' TYR . 82.5 t60 -66.53 154.04 41.39 Favored 'General case' 0 CA--C 1.541 0.626 0 CA-C-N 115.787 -0.642 . . . . 0.0 109.857 176.406 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 60.6 t60 -48.38 -53.61 16.96 Favored 'General case' 0 CA--C 1.544 0.728 0 C-N-CA 124.924 1.29 . . . . 0.0 112.336 -177.713 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 75.5 mmtt -61.85 -38.28 87.64 Favored 'General case' 0 N--CA 1.468 0.45 0 CA-C-O 120.935 0.398 . . . . 0.0 110.274 179.541 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.401 ' HB ' ' O ' ' A' ' 28' ' ' HIS . 71.9 t -60.08 -43.3 92.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 CA-C-N 115.546 -0.752 . . . . 0.0 111.311 -179.28 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.5 ' O ' ' HG2' ' A' ' 36' ' ' GLN . 72.9 mt -61.47 -37.45 77.81 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.676 0 CA-C-O 121.092 0.472 . . . . 0.0 110.095 178.867 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 12.9 t -68.89 -38.46 79.65 Favored 'General case' 0 CA--C 1.547 0.859 0 CA-C-N 115.783 -0.644 . . . . 0.0 109.813 179.768 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 16.4 m-85 -69.7 -32.51 71.15 Favored 'General case' 0 N--CA 1.472 0.656 0 CA-C-O 121.323 0.582 . . . . 0.0 109.523 178.1 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 47.9 t -61.83 -37.88 86.1 Favored 'General case' 0 N--CA 1.445 -0.695 0 CA-C-N 115.342 -0.844 . . . . 0.0 109.427 177.502 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . 0.5 ' HG2' ' O ' ' A' ' 32' ' ' ILE . 81.0 mm-40 -66.85 -34.06 76.97 Favored 'General case' 0 C--O 1.219 -0.522 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.794 178.631 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 53.9 mt-10 -61.49 -48.12 82.54 Favored 'General case' 0 CA--C 1.518 -0.259 0 N-CA-C 109.625 -0.509 . . . . 0.0 109.625 176.534 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -64.37 -46.39 83.58 Favored 'General case' 0 C--O 1.239 0.541 0 CA-C-N 115.233 -0.894 . . . . 0.0 109.469 -178.475 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 12.9 t70 -56.38 -51.02 69.89 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.61 -0.723 . . . . 0.0 110.693 178.398 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . 0.487 ' HG2' ' O ' ' A' ' 36' ' ' GLN . 15.2 mmt180 -66.28 -33.28 75.39 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.212 -0.449 . . . . 0.0 112.077 -177.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -65.34 -41.67 93.68 Favored 'General case' 0 CA--C 1.542 0.642 0 CA-C-O 121.626 0.727 . . . . 0.0 109.072 177.949 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 6.5 tt -70.26 -35.05 73.53 Favored 'General case' 0 C--N 1.323 -0.579 0 N-CA-C 108.769 -0.826 . . . . 0.0 108.769 178.246 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -65.55 -31.44 72.49 Favored 'General case' 0 N--CA 1.469 0.515 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.256 176.133 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.479 ' HG ' ' O ' ' A' ' 40' ' ' ARG . 95.0 mt -63.18 -45.5 91.5 Favored 'General case' 0 C--O 1.212 -0.904 0 N-CA-C 109.145 -0.687 . . . . 0.0 109.145 175.707 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 39.5 tp -57.18 -40.32 77.12 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.363 -0.835 . . . . 0.0 110.647 -179.568 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 74.3 mt -72.83 -50.5 32.75 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.917 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.476 178.13 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 30.8 tt0 -65.43 -31.96 73.33 Favored 'General case' 0 N--CA 1.462 0.128 0 CA-C-N 115.998 -0.546 . . . . 0.0 111.131 -174.472 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -59.21 -39.48 82.8 Favored 'General case' 0 C--N 1.324 -0.527 0 C-N-CA 122.755 0.422 . . . . 0.0 109.954 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 62.3 mttp -68.93 -31.71 70.8 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 121.24 0.543 . . . . 0.0 110.301 -179.724 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 18.3 m -71.02 -44.55 65.64 Favored 'General case' 0 N--CA 1.431 -1.416 0 CA-C-N 115.367 -0.833 . . . . 0.0 110.058 179.267 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . 0.5 ' C ' ' H ' ' A' ' 53' ' ' LYS . 12.1 ptmt -85.03 -59.15 2.42 Favored 'General case' 0 N--CA 1.422 -1.83 0 N-CA-C 113.207 0.817 . . . . 0.0 113.207 -174.171 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . 0.251 64.0 pttt 51.75 -23.07 0.0 OUTLIER 'General case' 0 N--CA 1.524 3.226 0 C-N-CA 127.612 2.365 . . . . 0.0 115.807 -174.586 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . 0.5 ' H ' ' C ' ' A' ' 51' ' ' LYS . 0.1 OUTLIER -67.25 -21.98 65.7 Favored 'General case' 0 C--N 1.306 -1.307 0 C-N-CA 125.885 1.674 . . . . 0.0 111.956 178.71 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . 0.4 ' C ' ' H ' ' A' ' 56' ' ' SER . 22.3 tpp180 -77.0 129.93 36.79 Favored 'General case' 0 N--CA 1.421 -1.91 0 N-CA-C 106.079 -1.823 . . . . 0.0 106.079 174.673 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 51.4 m-85 -70.8 29.68 0.04 OUTLIER 'General case' 0 N--CA 1.494 1.73 0 N-CA-C 114.605 1.335 . . . . 0.0 114.605 -172.34 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . 0.418 ' O ' ' HG2' ' A' ' 1' ' ' MET . 41.5 t -69.6 -38.16 77.17 Favored 'General case' 0 C--N 1.285 -2.226 0 C-N-CA 123.82 0.848 . . . . 0.0 108.888 179.046 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.464 HD12 ' H ' ' A' ' 57' ' ' LEU . 4.5 mp -61.19 -34.07 74.48 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.1 -0.954 . . . . 0.0 109.33 -178.387 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 7.1 mp -87.61 -63.17 1.34 Allowed 'General case' 0 C--N 1.312 -1.058 0 CA-C-N 115.128 -0.942 . . . . 0.0 110.39 179.485 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 35.1 mt-10 -91.13 -100.22 0.11 Allowed 'General case' 0 C--N 1.314 -0.942 0 N-CA-C 112.959 0.726 . . . . 0.0 112.959 -172.673 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 56.0 t60 -162.03 151.37 15.91 Favored 'General case' 0 C--N 1.3 -1.559 0 C-N-CA 123.088 0.555 . . . . 0.0 109.757 -175.856 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 60.7 t-80 -140.35 141.13 35.69 Favored 'General case' 0 C--N 1.313 -0.988 0 N-CA-C 107.509 -1.293 . . . . 0.0 107.509 175.565 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 12.3 t60 -119.71 -81.98 0.64 Allowed 'General case' 0 C--N 1.299 -1.623 0 N-CA-C 107.694 -1.225 . . . . 0.0 107.694 177.519 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 28.5 m80 -147.94 179.92 7.37 Favored 'General case' 0 C--O 1.246 0.891 0 N-CA-C 108.615 -0.883 . . . . 0.0 108.615 177.579 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 57.5 m-70 . . . . . 0 N--CA 1.416 -2.142 0 N-CA-C 108.471 -0.937 . . . . 0.0 108.471 174.213 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 48.3 ttm . . . . . 0 C--O 1.222 -0.342 0 N-CA-C 108.312 -0.996 . . . . 0.0 108.312 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . 0.466 ' HB3' HG22 ' A' ' 4' ' ' THR . 92.7 m-20 -133.37 125.34 28.94 Favored 'General case' 0 C--N 1.315 -0.924 0 N-CA-C 110.075 -0.343 . . . . 0.0 110.075 -177.378 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 33.8 m -67.25 -25.55 34.04 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.621 0 O-C-N 123.021 0.2 . . . . 0.0 111.339 179.151 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . 0.466 HG22 ' HB3' ' A' ' 2' ' ' ASN . 10.5 t -61.37 -33.08 73.06 Favored 'General case' 0 CA--C 1.541 0.625 0 CA-C-O 121.14 0.495 . . . . 0.0 110.703 178.178 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.502 ' O ' ' HG3' ' A' ' 9' ' ' ARG 0.262 57.7 mmtt -77.73 -27.09 50.42 Favored 'General case' 0 N--CA 1.436 -1.163 0 N-CA-C 112.457 0.54 . . . . 0.0 112.457 176.467 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.44 ' O ' HG13 ' A' ' 10' ' ' ILE . 32.8 tp -68.38 -43.12 78.06 Favored 'General case' 0 C--N 1.321 -0.65 0 N-CA-C 108.033 -1.099 . . . . 0.0 108.033 172.833 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 11.1 m120 -57.02 -42.85 81.15 Favored 'General case' 0 N--CA 1.478 0.934 0 CA-C-O 121.616 0.722 . . . . 0.0 109.602 174.213 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . 0.459 ' HB3' ' O ' ' A' ' 5' ' ' LYS . 10.2 t70 -56.5 -41.99 77.61 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 114.605 -1.179 . . . . 0.0 110.892 177.702 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . 0.502 ' HG3' ' O ' ' A' ' 5' ' ' LYS . 82.9 mtp180 -64.99 -41.44 95.4 Favored 'General case' 0 N--CA 1.467 0.391 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.061 179.332 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.525 ' O ' ' HG3' ' A' ' 14' ' ' LYS . 65.6 mt -60.36 -42.16 89.87 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-N 115.611 -0.722 . . . . 0.0 109.441 178.855 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 13.8 tp10 -59.34 -42.97 92.75 Favored 'General case' 0 C--O 1.243 0.743 0 CA-C-N 115.116 -0.947 . . . . 0.0 111.331 -177.543 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -72.95 -26.9 61.54 Favored 'General case' 0 C--N 1.316 -0.888 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.66 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 14.1 mmmm -76.68 -31.28 57.17 Favored 'General case' 0 C--N 1.31 -1.116 0 C-N-CA 120.242 -0.583 . . . . 0.0 110.699 -179.584 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.525 ' HG3' ' O ' ' A' ' 10' ' ' ILE . 92.7 mttt -59.53 -53.38 58.8 Favored 'General case' 0 CA--C 1.517 -0.326 0 N-CA-C 108.87 -0.789 . . . . 0.0 108.87 175.07 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.548 ' HD3' ' N ' ' A' ' 16' ' ' GLU . 0.0 OUTLIER -65.05 -33.93 77.21 Favored 'General case' 0 N--CA 1.449 -0.491 0 CA-C-N 115.49 -0.777 . . . . 0.0 112.268 -176.346 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.548 ' N ' ' HD3' ' A' ' 15' ' ' LYS . 40.3 tt0 -69.18 -43.44 74.21 Favored 'General case' 0 N--CA 1.439 -0.983 0 N-CA-C 109.171 -0.677 . . . . 0.0 109.171 179.047 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.477 ' O ' HG23 ' A' ' 21' ' ' VAL . 3.4 tm? -59.53 -48.17 82.68 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.866 -0.606 . . . . 0.0 109.583 178.701 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.505 ' O ' ' HG2' ' A' ' 22' ' ' GLU . 86.9 mt -55.68 -49.32 74.93 Favored 'Isoleucine or valine' 0 C--O 1.238 0.484 0 O-C-N 123.495 0.497 . . . . 0.0 110.166 179.133 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 86.8 t80 -59.86 -40.21 87.84 Favored 'General case' 0 C--O 1.243 0.737 0 O-C-N 124.005 0.816 . . . . 0.0 111.019 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.493 ' HG ' ' O ' ' A' ' 16' ' ' GLU . 92.6 mt -71.0 -33.62 70.56 Favored 'General case' 0 C--N 1.314 -0.978 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.366 179.698 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.477 HG23 ' O ' ' A' ' 17' ' ' LEU . 81.3 t -68.26 -33.48 60.8 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.744 0 N-CA-C 109.821 -0.437 . . . . 0.0 109.821 175.716 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.505 ' HG2' ' O ' ' A' ' 18' ' ' ILE . 23.6 mm-40 -62.15 -48.78 78.57 Favored 'General case' 0 C--N 1.318 -0.784 0 CA-C-O 121.437 0.637 . . . . 0.0 109.977 177.016 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 34.4 mmtp -82.69 -41.77 18.92 Favored 'General case' 0 C--N 1.317 -0.81 0 N-CA-C 114.175 1.176 . . . . 0.0 114.175 -175.252 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . 0.451 ' HB3' ' CE1' ' A' ' 28' ' ' HIS . 98.3 m-85 -99.0 -41.85 7.38 Favored 'General case' 0 C--N 1.298 -1.666 0 N-CA-C 112.193 0.442 . . . . 0.0 112.193 -175.893 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 97.57 136.73 9.28 Favored Glycine 0 C--N 1.303 -1.288 0 C-N-CA 120.774 -0.727 . . . . 0.0 111.622 -178.068 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 26.5 t80 -84.0 92.42 7.84 Favored 'General case' 0 N--CA 1.433 -1.283 0 N-CA-C 108.598 -0.89 . . . . 0.0 108.598 -178.418 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 7.4 t -159.68 -41.21 0.05 Allowed 'General case' 0 C--N 1.297 -1.707 0 CA-C-N 115.701 -0.682 . . . . 0.0 110.488 178.445 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . 0.451 ' CE1' ' HB3' ' A' ' 24' ' ' TYR . 3.0 p-80 -87.07 159.79 18.81 Favored 'General case' 0 C--O 1.25 1.127 0 C-N-CA 120.298 -0.561 . . . . 0.0 111.372 179.411 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 57.8 m80 -56.68 -39.51 73.92 Favored 'General case' 0 N--CA 1.475 0.793 0 C-N-CA 124.196 0.998 . . . . 0.0 113.098 -172.323 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.429 ' HB3' ' CD2' ' A' ' 28' ' ' HIS . 53.9 tttp -49.95 -49.88 48.59 Favored 'General case' 0 C--O 1.252 1.23 0 O-C-N 123.809 0.693 . . . . 0.0 111.652 -179.266 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.52 ' HA ' ' CD2' ' A' ' 34' ' ' PHE . 70.3 t -73.22 -39.6 56.45 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.587 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.221 -177.732 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 61.8 mt -64.03 -36.61 77.42 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.699 0 CA-C-O 121.215 0.531 . . . . 0.0 110.072 -179.462 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 49.4 m -65.16 -28.17 69.22 Favored 'General case' 0 N--CA 1.443 -0.803 0 CA-C-N 115.943 -0.571 . . . . 0.0 111.536 177.824 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . 0.52 ' CD2' ' HA ' ' A' ' 31' ' ' VAL . 24.1 m-85 -69.62 -38.29 77.18 Favored 'General case' 0 C--N 1.344 0.328 0 N-CA-C 109.682 -0.488 . . . . 0.0 109.682 177.264 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 29.2 m -63.66 -32.31 73.75 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-O 121.086 0.469 . . . . 0.0 110.763 177.932 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . 0.439 ' O ' ' HG2' ' A' ' 40' ' ' ARG . 78.8 mt-30 -64.95 -31.54 72.82 Favored 'General case' 0 N--CA 1.451 -0.4 0 CA-C-N 115.817 -0.629 . . . . 0.0 110.26 176.711 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . 0.487 ' O ' ' HG ' ' A' ' 41' ' ' LEU . 51.7 mt-10 -64.42 -45.16 88.76 Favored 'General case' 0 C--O 1.224 -0.247 0 N-CA-C 108.66 -0.867 . . . . 0.0 108.66 177.635 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -59.91 -40.95 90.59 Favored 'General case' 0 N--CA 1.475 0.788 0 CA-C-N 115.746 -0.661 . . . . 0.0 110.811 177.545 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 12.2 t70 -56.5 -45.03 81.23 Favored 'General case' 0 C--O 1.245 0.852 0 CA-C-N 115.28 -0.873 . . . . 0.0 110.545 177.442 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . 0.532 ' O ' ' HG ' ' A' ' 44' ' ' LEU . 14.7 mmm180 -73.05 -43.1 62.4 Favored 'General case' 0 N--CA 1.445 -0.688 0 CA-C-N 115.598 -0.728 . . . . 0.0 111.017 -178.321 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.496 ' HB3' HG12 ' A' ' 10' ' ' ILE . 92.9 mt -61.24 -42.81 99.27 Favored 'General case' 0 C--N 1.33 -0.27 0 O-C-N 123.092 0.245 . . . . 0.0 110.863 -179.544 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 58.4 tp -58.65 -43.08 89.67 Favored 'General case' 0 N--CA 1.464 0.252 0 CA-C-O 121.256 0.55 . . . . 0.0 110.236 175.38 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 3.2 t-20 -69.0 -32.88 72.75 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 115.767 -0.651 . . . . 0.0 110.719 -178.098 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.532 ' HG ' ' O ' ' A' ' 40' ' ' ARG . 81.1 mt -58.01 -33.11 68.59 Favored 'General case' 0 N--CA 1.471 0.622 0 N-CA-C 112.446 0.536 . . . . 0.0 112.446 -179.251 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 88.3 mt -60.6 -48.19 82.88 Favored 'General case' 0 N--CA 1.468 0.442 0 CA-C-O 121.749 0.785 . . . . 0.0 109.309 177.612 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 35.8 mt -69.38 -46.73 76.04 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.124 0 CA-C-N 114.416 -1.265 . . . . 0.0 109.018 -178.534 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . 0.439 ' O ' ' HG3' ' A' ' 51' ' ' LYS . 3.7 tm-20 -57.23 -47.19 81.96 Favored 'General case' 0 C--N 1.312 -1.031 0 C-N-CA 124.466 1.107 . . . . 0.0 110.295 -177.604 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -52.02 -50.85 60.59 Favored 'General case' 0 N--CA 1.482 1.127 0 C-N-CA 124.364 1.066 . . . . 0.0 111.55 -176.306 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 20.3 ptmt -72.72 -31.39 64.95 Favored 'General case' 0 C--N 1.309 -1.185 0 CA-C-N 116.468 -0.333 . . . . 0.0 111.89 179.799 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 77.5 m -72.69 -17.85 61.6 Favored 'General case' 0 CA--C 1.563 1.471 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.476 -177.801 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . 0.439 ' HG3' ' O ' ' A' ' 47' ' ' GLU . 23.5 mtpp -62.71 -23.55 67.21 Favored 'General case' 0 N--CA 1.478 0.941 0 C-N-CA 122.621 0.369 . . . . 0.0 110.541 179.664 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 19.0 ptpt 53.33 15.74 0.73 Allowed 'General case' 0 N--CA 1.487 1.395 0 C-N-CA 126.883 2.073 . . . . 0.0 113.889 -179.897 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 56.2 pttt -97.99 5.63 48.59 Favored 'General case' 0 C--N 1.309 -1.191 0 CA-C-O 121.544 0.688 . . . . 0.0 109.494 177.848 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 22.4 mmm180 -67.68 146.93 53.33 Favored 'General case' 0 N--CA 1.435 -1.217 0 CA-C-N 114.875 -1.057 . . . . 0.0 108.408 174.937 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 97.5 m-85 -59.47 -24.49 63.62 Favored 'General case' 0 C--N 1.312 -1.063 0 N-CA-C 113.478 0.918 . . . . 0.0 113.478 -172.381 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 3.6 p -69.59 -13.16 62.18 Favored 'General case' 0 C--N 1.317 -0.833 0 C-N-CA 124.131 0.973 . . . . 0.0 112.407 177.917 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -97.1 -7.21 33.26 Favored 'General case' 0 C--N 1.316 -0.856 0 CA-C-O 121.066 0.46 . . . . 0.0 110.588 178.501 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -102.35 -73.13 0.67 Allowed 'General case' 0 N--CA 1.435 -1.204 0 N-CA-C 109.169 -0.678 . . . . 0.0 109.169 177.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 30.7 mt-10 35.92 66.98 0.32 Allowed 'General case' 0 N--CA 1.465 0.307 0 C-N-CA 125.99 1.716 . . . . 0.0 112.83 -177.713 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 36.5 m80 -92.09 -0.24 57.45 Favored 'General case' 0 CA--C 1.504 -0.802 0 CA-C-N 115.083 -0.962 . . . . 0.0 111.926 -176.677 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 12.9 p80 -78.34 106.72 10.46 Favored 'General case' 0 C--N 1.302 -1.479 0 N-CA-C 107.549 -1.278 . . . . 0.0 107.549 173.818 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 36.4 m80 -109.25 111.05 22.42 Favored 'General case' 0 C--N 1.302 -1.489 0 CA-C-O 121.433 0.635 . . . . 0.0 112.403 -172.942 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 11.3 t60 -89.0 90.06 8.25 Favored 'General case' 0 C--N 1.303 -1.439 0 N-CA-C 108.309 -0.997 . . . . 0.0 108.309 176.316 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 99.0 m-70 . . . . . 0 N--CA 1.424 -1.75 0 N-CA-C 107.571 -1.27 . . . . 0.0 107.571 177.208 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 CA--C 1.502 -0.868 0 N-CA-C 110.417 -0.216 . . . . 0.0 110.417 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . 0.443 ' O ' ' HG2' ' A' ' 5' ' ' LYS . 86.4 m-20 -79.98 158.23 26.63 Favored 'General case' 0 C--N 1.315 -0.927 0 O-C-N 124.073 0.858 . . . . 0.0 110.025 -177.085 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 33.1 m -69.23 -21.79 25.4 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.584 0 N-CA-C 112.449 0.537 . . . . 0.0 112.449 -177.327 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 10.3 t -55.71 -27.44 50.43 Favored 'General case' 0 CA--C 1.548 0.884 0 C-N-CA 123.466 0.706 . . . . 0.0 112.153 179.657 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.544 ' O ' ' HG3' ' A' ' 9' ' ' ARG . 62.7 pttt -58.65 -34.58 71.37 Favored 'General case' 0 C--O 1.22 -0.497 0 CA-C-O 121.096 0.474 . . . . 0.0 110.32 -179.705 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.559 ' O ' HG13 ' A' ' 10' ' ' ILE . 42.0 tp -68.33 -45.73 72.11 Favored 'General case' 0 N--CA 1.44 -0.949 0 CA-C-N 115.806 -0.634 . . . . 0.0 109.652 -176.574 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 9.1 t30 -65.74 -35.12 79.82 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.513 -179.194 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . 0.452 ' O ' ' HB2' ' A' ' 11' ' ' GLU . 21.6 t70 -69.51 -36.73 76.72 Favored 'General case' 0 C--O 1.24 0.554 0 CA-C-N 115.857 -0.61 . . . . 0.0 110.38 179.319 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . 0.544 ' HG3' ' O ' ' A' ' 5' ' ' LYS . 71.7 mtp180 -70.21 -31.48 68.94 Favored 'General case' 0 C--N 1.325 -0.468 0 C-N-CA 120.776 -0.369 . . . . 0.0 110.523 177.942 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.559 HG13 ' O ' ' A' ' 6' ' ' LEU . 73.3 mt -63.22 -43.51 98.79 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.224 0 N-CA-C 109.144 -0.687 . . . . 0.0 109.144 175.463 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . 0.481 ' HA ' ' HE2' ' A' ' 14' ' ' LYS . 24.3 mm-40 -49.72 -48.6 49.88 Favored 'General case' 0 N--CA 1.483 1.216 0 C-N-CA 123.461 0.704 . . . . 0.0 110.623 176.027 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -69.28 -30.02 68.04 Favored 'General case' 0 C--N 1.307 -1.255 0 CA-C-N 115.154 -0.93 . . . . 0.0 112.029 -178.34 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 75.7 tttt -77.49 -30.71 53.18 Favored 'General case' 0 N--CA 1.445 -0.678 0 CA-C-O 121.651 0.738 . . . . 0.0 109.543 -171.694 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.504 ' O ' HG13 ' A' ' 18' ' ' ILE . 44.2 mtmt -71.18 -37.87 72.14 Favored 'General case' 0 C--N 1.306 -1.313 0 CA-C-N 114.813 -1.085 . . . . 0.0 110.075 178.155 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 51.7 mtpt -76.41 -30.04 57.3 Favored 'General case' 0 C--O 1.239 0.534 0 CA-C-O 121.114 0.483 . . . . 0.0 110.297 179.006 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 6.8 tp10 -63.39 -45.14 92.42 Favored 'General case' 0 C--N 1.319 -0.74 0 N-CA-C 107.637 -1.246 . . . . 0.0 107.637 175.077 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.491 ' O ' HG23 ' A' ' 21' ' ' VAL . 31.6 tp -65.42 -34.04 77.35 Favored 'General case' 0 N--CA 1.439 -0.989 0 CA-C-N 114.804 -1.089 . . . . 0.0 110.661 -179.375 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.504 HG13 ' O ' ' A' ' 14' ' ' LYS . 75.0 mt -58.19 -44.18 87.24 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.624 0 N-CA-C 109.539 -0.541 . . . . 0.0 109.539 175.145 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 91.5 t80 -61.68 -37.3 83.59 Favored 'General case' 0 CA--C 1.542 0.64 0 CA-C-O 121.551 0.691 . . . . 0.0 110.725 179.134 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.428 HD13 ' CD2' ' A' ' 34' ' ' PHE . 81.8 mt -71.24 -37.38 71.99 Favored 'General case' 0 C--N 1.305 -1.358 0 CA-C-N 115.624 -0.716 . . . . 0.0 111.086 179.087 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.491 HG23 ' O ' ' A' ' 17' ' ' LEU . 63.3 t -70.46 -34.69 58.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 N-CA-C 109.599 -0.519 . . . . 0.0 109.599 177.25 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 2.9 tm-20 -60.71 -52.87 63.26 Favored 'General case' 0 N--CA 1.418 -2.035 0 C-N-CA 124.12 0.968 . . . . 0.0 109.344 177.488 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 33.4 mmtm -82.92 -30.53 28.35 Favored 'General case' 0 C--N 1.318 -0.763 0 N-CA-C 116.626 2.084 . . . . 0.0 116.626 -177.002 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 36.7 m-85 -105.96 -48.6 3.58 Favored 'General case' 0 C--N 1.302 -1.459 0 C-N-CA 120.263 -0.575 . . . . 0.0 112.079 179.773 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 122.39 -173.06 15.87 Favored Glycine 0 C--N 1.291 -1.943 0 N-CA-C 109.392 -1.483 . . . . 0.0 109.392 -174.536 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 51.6 p90 -100.08 -12.4 19.71 Favored 'General case' 0 C--N 1.309 -1.168 0 CA-C-N 118.009 0.904 . . . . 0.0 111.635 -179.54 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 15.4 p -93.38 17.77 10.81 Favored 'General case' 0 C--N 1.313 -1.021 0 CA-C-O 121.154 0.502 . . . . 0.0 111.468 -178.805 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 15.7 t60 -101.22 130.9 47.41 Favored 'General case' 0 C--N 1.304 -1.404 0 N-CA-C 108.331 -0.988 . . . . 0.0 108.331 -177.312 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 52.0 t-80 -58.13 -38.97 77.55 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 112.95 0.722 . . . . 0.0 112.95 -175.012 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 90.4 mttt -56.86 -45.6 82.35 Favored 'General case' 0 N--CA 1.484 1.274 0 N-CA-C 109.406 -0.59 . . . . 0.0 109.406 178.643 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 99.5 t -58.84 -43.88 89.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 CA-C-N 115.364 -0.834 . . . . 0.0 110.432 -179.489 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 68.8 mt -66.18 -36.46 77.46 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.737 0 CA-C-N 116.005 -0.543 . . . . 0.0 109.993 178.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 46.7 t -65.77 -41.76 91.66 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.25 177.357 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . 0.428 ' CD2' HD13 ' A' ' 20' ' ' LEU . 68.0 m-85 -70.68 -36.63 73.42 Favored 'General case' 0 C--N 1.327 -0.377 0 C-N-CA 120.392 -0.523 . . . . 0.0 110.742 178.474 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 22.8 t -61.57 -47.01 87.45 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.277 -178.784 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 11.3 pt20 -68.05 -30.1 69.22 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 121.21 0.528 . . . . 0.0 111.444 179.618 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 35.4 mm-40 -72.92 -33.21 65.83 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.343 0.592 . . . . 0.0 110.134 177.111 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.425 HD11 ' HG2' ' A' ' 14' ' ' LYS . 5.8 tt -70.77 -42.25 70.66 Favored 'General case' 0 C--N 1.312 -1.063 0 N-CA-C 107.612 -1.255 . . . . 0.0 107.612 177.83 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 27.8 t70 -56.81 -45.98 81.91 Favored 'General case' 0 C--N 1.317 -0.845 0 CA-C-N 115.021 -0.99 . . . . 0.0 110.382 177.744 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 22.9 tpp180 -65.33 -35.4 80.89 Favored 'General case' 0 CA--C 1.543 0.683 0 CA-C-N 115.695 -0.684 . . . . 0.0 111.139 177.204 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 38.9 tp -66.61 -39.46 88.35 Favored 'General case' 0 N--CA 1.444 -0.743 0 N-CA-C 109.45 -0.574 . . . . 0.0 109.45 -179.245 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 57.4 tp -67.72 -35.13 78.2 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.536 -0.756 . . . . 0.0 110.398 178.107 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 13.3 m120 -58.28 -34.65 70.75 Favored 'General case' 0 N--CA 1.478 0.927 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.603 178.074 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 87.7 mt -57.18 -32.97 66.98 Favored 'General case' 0 C--O 1.22 -0.448 0 N-CA-C 113.0 0.741 . . . . 0.0 113.0 -177.351 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 94.1 mt -61.45 -43.1 99.46 Favored 'General case' 0 C--O 1.243 0.732 0 CA-C-O 121.454 0.645 . . . . 0.0 110.01 178.464 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.404 ' N ' HD12 ' A' ' 46' ' ' ILE . 2.9 mp -73.9 -49.03 36.5 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.146 0 CA-C-N 115.479 -0.782 . . . . 0.0 109.268 179.329 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . 0.591 ' O ' ' HG2' ' A' ' 51' ' ' LYS . 68.1 mm-40 -60.99 -40.12 92.26 Favored 'General case' 0 C--N 1.314 -0.936 0 N-CA-C 113.895 1.072 . . . . 0.0 113.895 -175.464 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -63.4 -46.14 87.8 Favored 'General case' 0 C--N 1.328 -0.351 0 O-C-N 123.634 0.584 . . . . 0.0 110.568 -177.565 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 9.6 ptpp? -70.63 -31.87 68.98 Favored 'General case' 0 C--N 1.325 -0.485 0 C-N-CA 119.983 -0.687 . . . . 0.0 110.682 179.544 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 41.5 m -70.91 -17.61 62.69 Favored 'General case' 0 CA--C 1.562 1.441 0 CA-C-O 121.145 0.498 . . . . 0.0 110.788 -179.849 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . 0.591 ' HG2' ' O ' ' A' ' 47' ' ' GLU . 0.0 OUTLIER -66.28 -16.35 63.96 Favored 'General case' 0 N--CA 1.472 0.669 0 C-N-CA 122.696 0.398 . . . . 0.0 110.872 177.33 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 25.3 pttm 56.93 9.9 0.69 Allowed 'General case' 0 N--CA 1.497 1.91 0 C-N-CA 126.398 1.879 . . . . 0.0 114.274 176.847 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -93.45 19.38 8.44 Favored 'General case' 0 C--N 1.314 -0.967 0 CA-C-O 122.433 1.111 . . . . 0.0 110.867 -179.142 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 22.8 mmm180 -121.03 141.39 50.79 Favored 'General case' 0 C--N 1.304 -1.4 0 N-CA-C 106.81 -1.552 . . . . 0.0 106.81 175.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 41.3 t80 -78.2 -8.88 58.86 Favored 'General case' 0 N--CA 1.43 -1.464 0 N-CA-C 109.787 -0.449 . . . . 0.0 109.787 -178.4 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 4.8 m -51.54 -31.71 25.21 Favored 'General case' 0 CA--C 1.544 0.735 0 C-N-CA 124.659 1.184 . . . . 0.0 111.988 179.502 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 6.3 mp -67.09 -29.89 69.78 Favored 'General case' 0 N--CA 1.465 0.293 0 CA-C-O 121.011 0.434 . . . . 0.0 111.18 -179.625 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -90.28 -14.85 32.43 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-O 121.477 0.656 . . . . 0.0 109.695 -179.446 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -91.35 -5.74 54.07 Favored 'General case' 0 C--N 1.308 -1.212 0 CA-C-N 115.395 -0.82 . . . . 0.0 108.865 176.683 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 59.8 t-80 -89.24 91.36 8.74 Favored 'General case' 0 N--CA 1.43 -1.452 0 CA-C-N 114.942 -1.026 . . . . 0.0 108.255 179.156 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 48.0 t-80 -90.2 131.77 35.85 Favored 'General case' 0 C--N 1.299 -1.607 0 N-CA-C 107.724 -1.213 . . . . 0.0 107.724 177.649 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 19.7 t60 -159.46 -51.36 0.06 Allowed 'General case' 0 C--N 1.305 -1.341 0 CA-C-O 121.023 0.439 . . . . 0.0 109.913 -178.42 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 33.0 p-80 -96.6 -179.1 4.49 Favored 'General case' 0 C--N 1.306 -1.326 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.325 -175.535 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 53.8 t-80 . . . . . 0 C--O 1.268 2.043 0 N-CA-C 107.314 -1.365 . . . . 0.0 107.314 178.062 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 14.4 tpt . . . . . 0 CA--C 1.514 -0.435 0 N-CA-C 109.868 -0.419 . . . . 0.0 109.868 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 4.5 m-20 -58.42 139.96 54.57 Favored 'General case' 0 C--O 1.253 1.272 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.218 178.303 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 33.3 m -55.57 -28.51 23.07 Favored 'Isoleucine or valine' 0 C--O 1.211 -0.94 0 N-CA-C 114.56 1.319 . . . . 0.0 114.56 -170.273 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 8.9 t -54.96 -38.7 68.1 Favored 'General case' 0 CA--C 1.56 1.33 0 CA-C-O 121.151 0.501 . . . . 0.0 111.505 179.656 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 73.2 mmtt -79.01 -27.68 43.27 Favored 'General case' 0 C--O 1.24 0.583 0 CA-C-O 120.964 0.411 . . . . 0.0 111.795 179.351 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.483 ' O ' HG13 ' A' ' 10' ' ' ILE . 26.2 tp -72.95 -47.82 42.16 Favored 'General case' 0 C--N 1.314 -0.965 0 N-CA-C 108.224 -1.028 . . . . 0.0 108.224 178.754 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 13.6 m120 -58.18 -43.9 87.73 Favored 'General case' 0 N--CA 1.469 0.521 0 CA-C-N 115.455 -0.793 . . . . 0.0 111.236 177.194 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 21.0 t70 -55.59 -44.15 76.68 Favored 'General case' 0 N--CA 1.473 0.696 0 CA-C-N 115.833 -0.621 . . . . 0.0 111.857 178.949 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 59.0 mtm180 -68.64 -32.1 71.71 Favored 'General case' 0 C--N 1.317 -0.839 0 N-CA-C 112.459 0.541 . . . . 0.0 112.459 179.126 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.517 ' O ' ' HG3' ' A' ' 14' ' ' LYS . 60.6 mt -66.71 -45.86 87.14 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.581 0 N-CA-C 108.369 -0.974 . . . . 0.0 108.369 177.177 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 5.3 tp10 -57.98 -49.27 77.37 Favored 'General case' 0 C--O 1.256 1.438 0 CA-C-N 114.868 -1.06 . . . . 0.0 109.505 -179.45 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -59.91 -37.08 78.41 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 114.661 -1.154 . . . . 0.0 111.701 179.703 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 29.0 mmtm -71.6 -31.63 67.12 Favored 'General case' 0 CA--C 1.504 -0.823 0 N-CA-C 111.994 0.368 . . . . 0.0 111.994 -177.062 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.517 ' HG3' ' O ' ' A' ' 10' ' ' ILE . 88.9 mttt -61.45 -51.15 69.91 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-O 121.656 0.741 . . . . 0.0 109.387 178.02 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 72.2 mmtt -71.08 -27.32 63.53 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 114.951 -1.022 . . . . 0.0 110.726 -175.37 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 35.8 tt0 -78.1 -36.76 47.66 Favored 'General case' 0 C--N 1.31 -1.134 0 CA-C-N 115.182 -0.917 . . . . 0.0 108.987 -176.642 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.458 HD21 ' HB2' ' A' ' 34' ' ' PHE . 13.6 mt -61.05 -40.02 92.03 Favored 'General case' 0 N--CA 1.43 -1.454 0 CA-C-N 115.092 -0.958 . . . . 0.0 111.047 174.855 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.51 ' O ' ' HG3' ' A' ' 22' ' ' GLU . 76.0 mt -57.25 -45.49 84.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 123.655 0.597 . . . . 0.0 109.909 177.155 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 79.1 t80 -59.11 -49.11 79.14 Favored 'General case' 0 C--O 1.236 0.355 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.635 177.003 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.432 ' HB3' HG22 ' A' ' 31' ' ' VAL . 79.0 mt -63.62 -41.68 98.27 Favored 'General case' 0 C--N 1.314 -0.943 0 CA-C-N 115.985 -0.552 . . . . 0.0 111.211 -178.191 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 71.2 t -60.97 -44.75 98.75 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.663 0 CA-C-N 116.513 -0.312 . . . . 0.0 110.78 175.84 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.51 ' HG3' ' O ' ' A' ' 18' ' ' ILE . 29.2 mt-10 -67.98 -31.73 71.64 Favored 'General case' 0 C--N 1.316 -0.871 0 C-N-CA 120.56 -0.456 . . . . 0.0 111.82 -179.458 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 14.3 mmmm -82.83 -48.11 11.13 Favored 'General case' 0 C--N 1.317 -0.81 0 N-CA-C 113.666 0.987 . . . . 0.0 113.666 179.667 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 67.0 m-85 -108.19 -36.89 6.17 Favored 'General case' 0 C--N 1.309 -1.181 0 N-CA-C 112.191 0.441 . . . . 0.0 112.191 -173.297 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 115.66 -159.65 13.71 Favored Glycine 0 C--N 1.294 -1.787 0 N-CA-C 110.836 -0.906 . . . . 0.0 110.836 -175.538 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 98.2 m-85 -102.86 -15.63 16.15 Favored 'General case' 0 C--N 1.315 -0.917 0 N-CA-C 111.691 0.256 . . . . 0.0 111.691 -178.119 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 7.4 m -82.18 -18.67 41.89 Favored 'General case' 0 C--N 1.317 -0.826 0 CA-C-O 121.353 0.597 . . . . 0.0 110.893 -174.959 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 44.7 t60 -59.52 122.94 15.29 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-N 115.46 -0.791 . . . . 0.0 110.959 -179.114 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 77.3 m-70 -54.52 -43.45 71.92 Favored 'General case' 0 N--CA 1.473 0.684 0 C-N-CA 124.579 1.152 . . . . 0.0 112.79 -174.198 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 68.1 mttm -64.31 -37.74 88.56 Favored 'General case' 0 C--O 1.218 -0.562 0 C-N-CA 120.938 -0.305 . . . . 0.0 110.805 179.767 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.432 HG22 ' HB3' ' A' ' 20' ' ' LEU . 92.9 t -61.91 -45.91 97.65 Favored 'Isoleucine or valine' 0 C--O 1.238 0.47 0 N-CA-C 109.491 -0.559 . . . . 0.0 109.491 -179.793 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 60.5 mt -60.49 -46.68 95.0 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.616 0 CA-C-N 115.492 -0.777 . . . . 0.0 109.055 177.374 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 43.1 m -59.74 -40.58 88.54 Favored 'General case' 0 CA--C 1.55 0.967 0 CA-C-N 115.585 -0.734 . . . . 0.0 112.048 179.781 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . 0.458 ' HB2' HD21 ' A' ' 17' ' ' LEU . 32.3 m-85 -73.21 -30.46 63.52 Favored 'General case' 0 C--O 1.227 -0.118 0 O-C-N 122.112 -0.367 . . . . 0.0 111.176 178.441 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 41.2 m -64.31 -39.48 93.98 Favored 'General case' 0 C--O 1.243 0.72 0 N-CA-C 109.146 -0.687 . . . . 0.0 109.146 176.38 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 89.8 mt-30 -70.18 -34.1 72.55 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 114.873 -1.058 . . . . 0.0 109.925 177.415 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 7.3 tp10 -65.33 -49.92 67.6 Favored 'General case' 0 C--N 1.33 -0.281 0 C-N-CA 123.478 0.711 . . . . 0.0 109.325 178.481 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 5.8 tt -58.38 -46.24 86.73 Favored 'General case' 0 N--CA 1.469 0.51 0 C-N-CA 123.896 0.878 . . . . 0.0 109.183 179.406 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 20.8 t70 -59.57 -41.28 89.83 Favored 'General case' 0 C--O 1.241 0.652 0 CA-C-N 115.359 -0.837 . . . . 0.0 110.755 178.677 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . 0.498 ' O ' ' HG ' ' A' ' 44' ' ' LEU . 31.6 tpt180 -69.2 -40.25 78.13 Favored 'General case' 0 C--N 1.316 -0.863 0 CA-C-N 115.319 -0.855 . . . . 0.0 110.54 179.147 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.476 ' HB3' HG12 ' A' ' 10' ' ' ILE . 98.1 mt -61.25 -43.18 99.29 Favored 'General case' 0 N--CA 1.469 0.485 0 N-CA-C 110.06 -0.348 . . . . 0.0 110.06 177.873 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 51.4 tp -61.21 -44.11 97.81 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.452 0.644 . . . . 0.0 109.412 175.747 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 22.4 t-20 -63.7 -26.34 68.61 Favored 'General case' 0 C--O 1.209 -1.042 0 CA-C-N 115.3 -0.864 . . . . 0.0 111.776 -179.76 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.515 ' O ' ' HG ' ' A' ' 48' ' ' LEU . 80.3 mt -64.44 -39.1 93.18 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-O 120.825 0.345 . . . . 0.0 110.142 176.203 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 92.0 mt -67.29 -39.69 86.0 Favored 'General case' 0 C--O 1.238 0.487 0 N-CA-C 109.243 -0.651 . . . . 0.0 109.243 176.926 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 71.0 mt -64.03 -48.46 85.83 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.675 0 CA-C-N 114.891 -1.05 . . . . 0.0 109.999 178.758 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . 0.488 ' O ' ' HG3' ' A' ' 51' ' ' LYS . 22.4 mm-40 -61.87 -33.42 74.16 Favored 'General case' 0 CA--C 1.501 -0.923 0 N-CA-C 113.823 1.046 . . . . 0.0 113.823 -179.347 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.515 ' HG ' ' O ' ' A' ' 44' ' ' LEU . 34.0 mt -59.5 -42.12 91.45 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-O 121.3 0.572 . . . . 0.0 110.363 175.444 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 58.9 mttp -72.94 -32.76 65.49 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 115.092 -0.958 . . . . 0.0 110.857 177.701 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 59.7 m -61.95 -44.0 97.68 Favored 'General case' 0 CA--C 1.53 0.209 0 CA-C-O 121.192 0.52 . . . . 0.0 109.681 176.533 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . 0.488 ' HG3' ' O ' ' A' ' 47' ' ' GLU . 66.5 mttm -68.1 -48.11 66.36 Favored 'General case' 0 N--CA 1.438 -1.049 0 CA-C-N 115.543 -0.753 . . . . 0.0 109.506 178.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 14.5 ptmm? 56.0 0.23 0.05 Allowed 'General case' 0 N--CA 1.499 1.996 0 C-N-CA 127.027 2.131 . . . . 0.0 114.678 -179.927 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 20.5 ptmt -95.77 18.98 12.01 Favored 'General case' 0 C--N 1.295 -1.796 0 C-N-CA 123.904 0.882 . . . . 0.0 109.211 178.824 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 27.3 mmm180 -89.07 142.67 27.44 Favored 'General case' 0 N--CA 1.423 -1.823 0 CA-C-N 114.869 -1.06 . . . . 0.0 108.717 -179.457 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 11.7 p90 -47.39 -19.51 0.17 Allowed 'General case' 0 N--CA 1.479 0.985 0 C-N-CA 125.921 1.688 . . . . 0.0 114.242 178.707 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 5.2 p -68.1 -16.88 64.2 Favored 'General case' 0 CA--C 1.547 0.839 0 C-N-CA 123.565 0.746 . . . . 0.0 112.337 -178.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 69.7 mt -103.48 -1.09 29.0 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.358 0.599 . . . . 0.0 110.379 175.81 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 6.7 mp -106.96 -59.44 1.81 Allowed 'General case' 0 C--N 1.312 -1.063 0 N-CA-C 108.749 -0.834 . . . . 0.0 108.749 -178.395 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 35.6 mt-10 66.29 -65.33 0.2 Allowed 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 116.042 1.868 . . . . 0.0 116.042 172.012 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 7.8 t-80 -86.18 96.32 9.87 Favored 'General case' 0 C--N 1.281 -2.375 0 CA-C-O 121.511 0.672 . . . . 0.0 111.612 -172.456 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 38.8 m80 -117.38 170.26 8.85 Favored 'General case' 0 C--N 1.308 -1.209 0 CA-C-N 115.281 -0.872 . . . . 0.0 108.999 177.225 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . 0.338 5.4 p-80 47.46 78.59 0.07 Allowed 'General case' 0 N--CA 1.475 0.776 0 N-CA-C 114.208 1.188 . . . . 0.0 114.208 179.839 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 9.0 p80 -152.06 175.25 12.74 Favored 'General case' 0 C--N 1.304 -1.377 0 CA-C-N 114.503 -1.226 . . . . 0.0 108.23 -178.553 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 13.5 t-80 . . . . . 0 C--N 1.293 -1.865 0 N-CA-C 108.188 -1.041 . . . . 0.0 108.188 -179.172 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 23.9 mmt . . . . . 0 CA--C 1.506 -0.739 0 N-CA-C 108.586 -0.894 . . . . 0.0 108.586 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 1.8 m120 -97.85 163.74 12.67 Favored 'General case' 0 C--N 1.306 -1.3 0 N-CA-C 108.413 -0.958 . . . . 0.0 108.413 -173.683 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 28.6 m -67.3 -25.19 33.05 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.742 0 N-CA-C 111.985 0.365 . . . . 0.0 111.985 -178.738 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 10.1 t -66.63 -34.38 77.75 Favored 'General case' 0 CA--C 1.553 1.07 0 CA-C-O 120.808 0.337 . . . . 0.0 110.524 177.14 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 53.5 mttp -69.93 -38.41 76.21 Favored 'General case' 0 C--O 1.243 0.714 0 N-CA-C 109.472 -0.566 . . . . 0.0 109.472 177.172 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.408 ' O ' HG13 ' A' ' 10' ' ' ILE . 33.5 tp -63.52 -44.03 95.44 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 114.697 -1.138 . . . . 0.0 109.46 179.194 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . 0.446 ' O ' ' HB ' ' A' ' 10' ' ' ILE . 3.7 t-20 -63.18 -42.58 99.39 Favored 'General case' 0 N--CA 1.464 0.265 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.669 179.392 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 15.3 t70 -59.81 -38.29 81.54 Favored 'General case' 0 N--CA 1.478 0.932 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.275 178.469 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 79.2 mtp180 -63.98 -40.46 96.43 Favored 'General case' 0 N--CA 1.47 0.537 0 CA-C-N 115.887 -0.597 . . . . 0.0 109.978 176.81 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.446 ' HB ' ' O ' ' A' ' 7' ' ' ASN . 73.6 mt -59.27 -44.11 91.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-N 115.32 -0.855 . . . . 0.0 110.078 177.784 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 39.4 mt-10 -60.64 -37.49 81.66 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 116.015 -0.539 . . . . 0.0 111.532 -179.485 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -72.66 -37.0 68.08 Favored 'General case' 0 C--N 1.311 -1.082 0 CA-C-O 121.204 0.526 . . . . 0.0 110.54 178.723 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 48.0 mttm -72.94 -33.91 66.23 Favored 'General case' 0 C--N 1.321 -0.642 0 N-CA-C 112.112 0.412 . . . . 0.0 112.112 -178.685 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.529 ' O ' HG12 ' A' ' 18' ' ' ILE . 13.3 ptmm? -73.44 -29.53 62.61 Favored 'General case' 0 C--N 1.313 -0.998 0 C-N-CA 120.765 -0.374 . . . . 0.0 111.173 -179.258 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -71.86 -29.94 64.91 Favored 'General case' 0 C--O 1.241 0.642 0 CA-C-O 121.86 0.838 . . . . 0.0 110.453 176.305 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.538 ' O ' ' HG ' ' A' ' 20' ' ' LEU . 12.6 tp10 -67.88 -43.96 78.16 Favored 'General case' 0 C--N 1.318 -0.785 0 N-CA-C 106.255 -1.757 . . . . 0.0 106.255 -179.635 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.456 ' O ' HG23 ' A' ' 21' ' ' VAL . 14.9 mt -54.84 -44.52 74.02 Favored 'General case' 0 C--O 1.207 -1.157 0 CA-C-N 113.778 -1.556 . . . . 0.0 112.433 176.387 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.532 ' O ' ' HG3' ' A' ' 22' ' ' GLU . 34.9 mm -54.4 -50.15 59.54 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.818 0 O-C-N 123.869 0.731 . . . . 0.0 109.089 179.37 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 88.8 t80 -60.89 -47.39 86.6 Favored 'General case' 0 N--CA 1.447 -0.623 0 CA-C-N 114.785 -1.098 . . . . 0.0 110.598 179.485 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.538 ' HG ' ' O ' ' A' ' 16' ' ' GLU . 87.8 mt -62.33 -46.03 90.56 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 115.851 -0.613 . . . . 0.0 111.76 -178.448 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.456 HG23 ' O ' ' A' ' 17' ' ' LEU . 84.3 t -58.37 -43.0 85.48 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.467 0 C-N-CA 122.874 0.469 . . . . 0.0 111.306 179.107 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.532 ' HG3' ' O ' ' A' ' 18' ' ' ILE . 49.7 mt-10 -66.13 -48.7 69.97 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-O 121.462 0.648 . . . . 0.0 110.959 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 46.1 mmtm -79.83 -41.2 26.86 Favored 'General case' 0 C--N 1.312 -1.028 0 N-CA-C 113.409 0.892 . . . . 0.0 113.409 -170.564 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 81.5 m-85 -99.47 -27.7 13.6 Favored 'General case' 0 C--N 1.312 -1.035 0 CA-C-O 120.917 0.389 . . . . 0.0 111.908 -176.836 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 116.32 146.96 8.73 Favored Glycine 0 C--N 1.303 -1.25 0 C-N-CA 120.279 -0.963 . . . . 0.0 112.101 178.83 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 30.5 p90 -73.71 -15.54 61.22 Favored 'General case' 0 N--CA 1.472 0.633 0 CA-C-O 121.704 0.764 . . . . 0.0 110.265 178.411 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 3.9 m -90.25 -3.55 57.74 Favored 'General case' 0 N--CA 1.436 -1.168 0 CA-C-N 115.064 -0.971 . . . . 0.0 109.788 179.614 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 14.6 t60 -79.41 109.69 14.01 Favored 'General case' 0 N--CA 1.44 -0.956 0 N-CA-C 108.216 -1.031 . . . . 0.0 108.216 -177.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 49.2 m80 -60.18 -31.04 69.75 Favored 'General case' 0 C--N 1.318 -0.784 0 N-CA-C 115.016 1.487 . . . . 0.0 115.016 -172.435 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 49.4 mmtm -64.31 -35.62 81.44 Favored 'General case' 0 C--N 1.323 -0.568 0 C-N-CA 119.653 -0.819 . . . . 0.0 110.483 175.934 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 57.9 t -69.17 -38.62 78.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 N-CA-C 108.863 -0.791 . . . . 0.0 108.863 177.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 65.0 mt -64.62 -37.04 79.06 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.661 0 CA-C-N 115.592 -0.731 . . . . 0.0 109.941 176.949 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 30.3 t -60.89 -41.99 97.14 Favored 'General case' 0 C--N 1.322 -0.6 0 N-CA-C 109.53 -0.544 . . . . 0.0 109.53 175.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 16.6 m-85 -68.11 -33.72 75.04 Favored 'General case' 0 N--CA 1.468 0.449 0 N-CA-C 109.916 -0.401 . . . . 0.0 109.916 178.446 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . 0.417 ' HA ' HD11 ' A' ' 17' ' ' LEU . 21.8 t -64.39 -38.75 92.13 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-N 116.153 -0.476 . . . . 0.0 109.812 178.262 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 47.3 mt-30 -71.39 -34.02 70.01 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 121.301 0.572 . . . . 0.0 110.272 177.08 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 6.1 tm-20 -64.08 -43.26 95.98 Favored 'General case' 0 C--N 1.321 -0.664 0 N-CA-C 107.747 -1.205 . . . . 0.0 107.747 178.271 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -66.43 -46.98 74.67 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 114.425 -1.261 . . . . 0.0 109.153 177.7 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 14.9 t70 -56.81 -41.67 78.17 Favored 'General case' 0 C--N 1.321 -0.656 0 C-N-CA 123.822 0.849 . . . . 0.0 111.401 179.713 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 26.9 tpt180 -68.11 -37.13 80.82 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.567 -179.757 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 95.5 mt -64.92 -41.1 95.84 Favored 'General case' 0 CA--C 1.515 -0.367 0 CA-C-O 121.145 0.498 . . . . 0.0 109.916 176.935 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 66.4 tp -62.52 -37.89 87.82 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.721 -0.672 . . . . 0.0 109.904 177.095 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . 0.412 HD22 ' HA ' ' A' ' 43' ' ' ASN . 2.0 t-20 -67.61 -32.32 72.95 Favored 'General case' 0 C--O 1.206 -1.199 0 CA-C-N 115.414 -0.812 . . . . 0.0 110.039 -178.392 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 73.2 mt -56.21 -46.01 79.66 Favored 'General case' 0 N--CA 1.469 0.491 0 C-N-CA 123.158 0.583 . . . . 0.0 110.909 176.873 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 88.7 mt -60.23 -50.09 75.02 Favored 'General case' 0 CA--C 1.514 -0.421 0 CA-C-N 115.791 -0.64 . . . . 0.0 109.697 179.306 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 66.3 mt -61.43 -47.39 93.65 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.981 0 CA-C-N 114.906 -1.043 . . . . 0.0 110.741 -178.622 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -57.84 -52.65 64.61 Favored 'General case' 0 C--O 1.245 0.841 0 C-N-CA 124.351 1.061 . . . . 0.0 109.842 -177.308 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -66.43 -37.88 86.17 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 112.866 0.691 . . . . 0.0 112.866 -179.788 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 99.5 mttt -71.99 -27.4 62.73 Favored 'General case' 0 C--N 1.322 -0.6 0 N-CA-C 112.405 0.52 . . . . 0.0 112.405 179.034 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 90.6 m -67.98 -40.62 83.1 Favored 'General case' 0 C--O 1.245 0.859 0 N-CA-C 109.01 -0.737 . . . . 0.0 109.01 174.866 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . 0.453 ' C ' ' H ' ' A' ' 53' ' ' LYS . 46.4 mttp -73.97 -59.61 2.64 Favored 'General case' 0 N--CA 1.435 -1.191 0 CA-C-N 115.789 -0.641 . . . . 0.0 111.402 178.591 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . 0.304 0.0 OUTLIER 57.86 -34.05 0.04 OUTLIER 'General case' 0 N--CA 1.51 2.55 0 C-N-CA 127.817 2.447 . . . . 0.0 115.181 -175.005 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . 0.453 ' H ' ' C ' ' A' ' 51' ' ' LYS . 60.6 pttt -57.41 -12.71 2.74 Favored 'General case' 0 C--N 1.303 -1.441 0 C-N-CA 127.164 2.186 . . . . 0.0 114.207 -179.531 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 31.3 mmm180 -92.44 -15.31 27.32 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-O 120.902 0.382 . . . . 0.0 110.722 179.819 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' TYR . . . . . 0.437 ' O ' ' HG2' ' A' ' 59' ' ' GLU . 90.9 m-85 56.95 7.22 0.39 Allowed 'General case' 0 N--CA 1.451 -0.41 0 C-N-CA 126.13 1.772 . . . . 0.0 115.345 -179.197 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 47.5 m -75.68 14.16 0.69 Allowed 'General case' 0 C--N 1.315 -0.912 0 CA-C-O 121.997 0.903 . . . . 0.0 111.771 176.743 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 5.2 mp -81.04 -25.32 37.22 Favored 'General case' 0 N--CA 1.437 -1.12 0 N-CA-C 105.514 -2.032 . . . . 0.0 105.514 171.273 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 5.3 mp -105.16 -59.08 1.8 Allowed 'General case' 0 N--CA 1.435 -1.222 0 CA-C-N 113.436 -1.711 . . . . 0.0 108.561 179.735 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . 0.437 ' HG2' ' O ' ' A' ' 55' ' ' TYR . 11.7 pt-20 -92.66 -166.44 1.54 Allowed 'General case' 0 N--CA 1.438 -1.055 0 CA-C-N 115.394 -0.821 . . . . 0.0 111.238 -175.93 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 29.1 m80 -96.05 -178.4 4.33 Favored 'General case' 0 C--N 1.291 -1.947 0 CA-C-N 115.524 -0.762 . . . . 0.0 111.857 -177.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 45.9 m80 -109.77 -69.36 0.87 Allowed 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 115.488 -0.778 . . . . 0.0 109.897 176.199 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 4.0 p80 -103.6 31.05 4.61 Favored 'General case' 0 C--N 1.314 -0.955 0 CA-C-O 121.961 0.886 . . . . 0.0 110.61 -175.416 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 54.2 t-80 -158.97 174.14 15.41 Favored 'General case' 0 C--N 1.3 -1.567 0 N-CA-C 104.972 -2.233 . . . . 0.0 104.972 178.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 49.8 t-80 . . . . . 0 C--N 1.293 -1.874 0 N-CA-C 107.27 -1.381 . . . . 0.0 107.27 174.697 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.544 ' SD ' ' HE3' ' A' ' 53' ' ' LYS . 4.5 mpp? . . . . . 0 N--CA 1.472 0.67 0 N-CA-C 111.835 0.309 . . . . 0.0 111.835 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 46.2 m-80 70.2 84.81 0.14 Allowed 'General case' 0 C--O 1.248 1.017 0 C-N-CA 124.284 1.034 . . . . 0.0 110.606 -174.576 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 27.8 m -71.82 -21.96 21.29 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.754 0 CA-C-N 115.738 -0.665 . . . . 0.0 110.683 -179.772 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 14.2 t -65.52 -30.58 71.35 Favored 'General case' 0 CA--C 1.545 0.777 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.31 178.465 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 97.5 mttt -78.17 -30.87 49.35 Favored 'General case' 0 CA--C 1.512 -0.517 0 CA-C-O 121.267 0.556 . . . . 0.0 109.853 179.528 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 35.5 tp -72.6 -41.74 65.3 Favored 'General case' 0 C--N 1.314 -0.942 0 N-CA-C 108.421 -0.955 . . . . 0.0 108.421 177.481 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 3.2 t-20 -59.75 -42.03 92.29 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.258 -0.883 . . . . 0.0 109.884 176.668 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 25.2 t70 -57.39 -35.2 69.7 Favored 'General case' 0 N--CA 1.471 0.603 0 CA-C-N 115.842 -0.617 . . . . 0.0 111.581 177.175 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 79.4 mtp180 -69.82 -42.12 74.08 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.112 178.233 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 74.9 mt -61.83 -46.38 96.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 N-CA-C 109.016 -0.735 . . . . 0.0 109.016 177.733 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 36.2 tt0 -59.87 -38.98 83.72 Favored 'General case' 0 C--N 1.312 -1.027 0 CA-C-N 114.578 -1.192 . . . . 0.0 110.406 -179.75 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -72.71 -34.72 67.31 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.949 -0.569 . . . . 0.0 111.236 178.625 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 16.6 tppt? -69.37 -34.93 75.3 Favored 'General case' 0 C--N 1.32 -0.7 0 N-CA-C 109.064 -0.717 . . . . 0.0 109.064 -178.445 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.401 ' O ' HG13 ' A' ' 18' ' ' ILE . 54.2 mttm -61.69 -41.47 97.63 Favored 'General case' 0 C--N 1.311 -1.098 0 CA-C-N 115.113 -0.949 . . . . 0.0 111.156 175.207 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 45.9 mmtm -65.55 -31.74 72.96 Favored 'General case' 0 N--CA 1.47 0.554 0 CA-C-O 121.384 0.612 . . . . 0.0 110.054 179.747 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.523 ' O ' ' HG ' ' A' ' 20' ' ' LEU . 37.3 tt0 -72.08 -47.8 48.82 Favored 'General case' 0 N--CA 1.437 -1.088 0 CA-C-N 114.908 -1.042 . . . . 0.0 108.27 -178.36 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.444 ' O ' HG23 ' A' ' 21' ' ' VAL . 3.2 mm? -57.53 -49.77 75.26 Favored 'General case' 0 C--N 1.316 -0.856 0 CA-C-N 115.097 -0.956 . . . . 0.0 112.131 176.825 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.401 HG13 ' O ' ' A' ' 14' ' ' LYS . 85.6 mt -56.42 -39.68 62.65 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.643 0 CA-C-O 120.872 0.368 . . . . 0.0 110.518 178.867 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 36.9 t80 -65.13 -46.83 79.38 Favored 'General case' 0 C--O 1.246 0.905 0 CA-C-N 115.603 -0.726 . . . . 0.0 110.308 179.412 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.523 ' HG ' ' O ' ' A' ' 16' ' ' GLU . 86.1 mt -64.66 -41.07 96.36 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.617 -0.719 . . . . 0.0 110.959 -178.194 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.444 HG23 ' O ' ' A' ' 17' ' ' LEU . 85.4 t -60.53 -33.03 52.92 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.735 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.509 176.842 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 74.2 mm-40 -68.44 -48.96 63.2 Favored 'General case' 0 C--N 1.316 -0.891 0 N-CA-C 113.168 0.803 . . . . 0.0 113.168 177.037 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 61.9 mttp -82.66 -42.95 17.5 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 114.842 1.423 . . . . 0.0 114.842 -178.299 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 64.3 m-85 -91.35 -49.67 6.22 Favored 'General case' 0 C--N 1.312 -1.049 0 CA-C-O 121.678 0.751 . . . . 0.0 109.408 -178.5 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . 0.417 ' O ' ' HA ' ' A' ' 21' ' ' VAL . . . 121.58 -163.45 15.01 Favored Glycine 0 N--CA 1.42 -2.419 0 N-CA-C 109.479 -1.448 . . . . 0.0 109.479 -175.74 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 35.5 p90 -111.55 170.54 8.06 Favored 'General case' 0 C--N 1.288 -2.084 0 N-CA-C 108.624 -0.88 . . . . 0.0 108.624 179.136 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 30.5 p 61.89 9.93 3.25 Favored 'General case' 0 CA--C 1.551 0.991 0 C-N-CA 125.304 1.442 . . . . 0.0 113.699 -176.381 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 65.2 t60 -78.5 137.61 38.02 Favored 'General case' 0 N--CA 1.446 -0.631 0 N-CA-C 107.222 -1.399 . . . . 0.0 107.222 177.143 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 56.0 m-70 -66.79 -33.44 75.63 Favored 'General case' 0 C--N 1.314 -0.944 0 N-CA-C 115.102 1.519 . . . . 0.0 115.102 -170.83 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 63.0 mttp -64.45 -41.87 96.3 Favored 'General case' 0 CA--C 1.51 -0.583 0 N-CA-C 108.41 -0.959 . . . . 0.0 108.41 173.483 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 96.1 t -62.07 -39.56 84.23 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.614 0 CA-C-N 115.309 -0.859 . . . . 0.0 109.624 178.436 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 75.4 mt -60.73 -44.65 97.73 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.659 0 CA-C-O 121.196 0.522 . . . . 0.0 109.962 174.867 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 41.7 m -63.0 -34.95 78.64 Favored 'General case' 0 C--N 1.313 -0.995 0 CA-C-N 115.98 -0.555 . . . . 0.0 111.209 178.111 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 20.9 m-85 -77.78 -30.68 51.51 Favored 'General case' 0 C--N 1.32 -0.71 0 O-C-N 121.847 -0.533 . . . . 0.0 111.559 176.238 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 50.4 m -66.18 -40.99 90.88 Favored 'General case' 0 C--O 1.242 0.673 0 CA-C-O 120.95 0.405 . . . . 0.0 110.358 179.046 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . 0.578 ' O ' ' HG2' ' A' ' 40' ' ' ARG . 10.7 pt20 -72.2 -28.65 63.33 Favored 'General case' 0 C--O 1.208 -1.11 0 CA-C-N 116.215 -0.448 . . . . 0.0 109.965 176.034 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 38.5 tt0 -66.55 -39.43 88.54 Favored 'General case' 0 CA--C 1.535 0.373 0 CA-C-O 121.184 0.516 . . . . 0.0 109.656 176.651 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -61.01 -44.06 97.98 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 108.124 -1.065 . . . . 0.0 108.124 174.112 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 21.7 t70 -63.57 -34.85 78.71 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 114.985 -1.007 . . . . 0.0 111.112 179.291 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . 0.578 ' HG2' ' O ' ' A' ' 36' ' ' GLN . 28.0 mmt180 -62.48 -46.86 86.55 Favored 'General case' 0 CA--C 1.509 -0.61 0 N-CA-C 109.467 -0.568 . . . . 0.0 109.467 176.542 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 93.3 mt -61.69 -41.52 97.7 Favored 'General case' 0 CA--C 1.52 -0.193 0 CA-C-N 115.576 -0.738 . . . . 0.0 110.518 179.528 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 58.5 tp -64.26 -40.86 96.85 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 121.471 0.653 . . . . 0.0 109.819 177.581 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 9.6 m-80 -68.85 -20.0 64.27 Favored 'General case' 0 C--O 1.205 -1.249 0 CA-C-N 115.528 -0.76 . . . . 0.0 112.486 178.898 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.457 ' HG ' ' O ' ' A' ' 40' ' ' ARG . 80.2 mt -62.52 -31.53 72.32 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 111.889 0.329 . . . . 0.0 111.889 178.955 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 6.7 mp -67.95 -36.2 79.69 Favored 'General case' 0 N--CA 1.469 0.515 0 CA-C-O 121.44 0.638 . . . . 0.0 109.906 176.831 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 69.9 mt -73.02 -46.73 50.63 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.837 0 CA-C-N 115.214 -0.903 . . . . 0.0 108.773 178.117 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . 0.456 ' HG3' ' HE2' ' A' ' 51' ' ' LYS . 23.6 tp10 -58.42 -30.43 66.87 Favored 'General case' 0 C--N 1.317 -0.826 0 C-N-CA 125.858 1.663 . . . . 0.0 111.116 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 19.7 tp -62.43 -35.31 78.86 Favored 'General case' 0 N--CA 1.444 -0.765 0 CA-C-O 121.046 0.45 . . . . 0.0 111.862 177.723 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 94.7 mttt -72.13 -37.54 69.44 Favored 'General case' 0 C--N 1.319 -0.732 0 N-CA-C 108.798 -0.816 . . . . 0.0 108.798 178.426 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 19.5 m -60.66 -22.22 63.63 Favored 'General case' 0 CA--C 1.547 0.838 0 C-N-CA 124.785 1.234 . . . . 0.0 111.291 179.721 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . 0.456 ' HE2' ' HG3' ' A' ' 47' ' ' GLU . 70.3 mmtt -67.51 -16.08 64.01 Favored 'General case' 0 C--O 1.213 -0.853 0 CA-C-N 115.887 -0.597 . . . . 0.0 111.597 179.475 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 24.2 pttm 62.21 5.68 1.59 Allowed 'General case' 0 N--CA 1.503 2.216 0 C-N-CA 126.631 1.973 . . . . 0.0 113.456 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . 0.544 ' HE3' ' SD ' ' A' ' 1' ' ' MET . 0.0 OUTLIER -95.55 15.63 19.28 Favored 'General case' 0 C--N 1.313 -1.009 0 CA-C-O 122.503 1.144 . . . . 0.0 109.559 175.955 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 15.6 ptt180 -70.25 138.29 51.51 Favored 'General case' 0 C--N 1.306 -1.324 0 CA-C-N 113.558 -1.655 . . . . 0.0 109.156 176.076 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' TYR . . . . . 0.423 ' HA ' HD13 ' A' ' 58' ' ' LEU . 96.9 m-85 -70.13 -10.92 60.32 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-O 121.131 0.491 . . . . 0.0 111.886 -177.034 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . 0.44 ' O ' ' HB3' ' A' ' 60' ' ' HIS . 15.0 m -69.3 -3.68 14.96 Favored 'General case' 0 CA--C 1.551 0.987 0 CA-C-N 115.618 -0.719 . . . . 0.0 111.14 175.398 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 94.2 mt -109.38 0.61 19.51 Favored 'General case' 0 N--CA 1.449 -0.524 0 CA-C-O 121.059 0.457 . . . . 0.0 109.908 173.536 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.423 HD13 ' HA ' ' A' ' 55' ' ' TYR . 8.0 mp -110.09 -54.46 2.57 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.588 -178.724 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -89.51 2.26 54.82 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 121.766 0.793 . . . . 0.0 110.315 -179.299 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' HIS . . . . . 0.44 ' HB3' ' O ' ' A' ' 56' ' ' SER . 38.2 t-80 -138.39 111.05 7.59 Favored 'General case' 0 C--N 1.285 -2.201 0 N-CA-C 107.058 -1.46 . . . . 0.0 107.058 -178.149 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 74.6 m-70 -85.02 98.38 10.37 Favored 'General case' 0 C--N 1.303 -1.416 0 N-CA-C 109.029 -0.73 . . . . 0.0 109.029 -178.671 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 46.1 t-80 -94.9 -72.03 0.64 Allowed 'General case' 0 C--N 1.295 -1.796 0 CA-C-N 115.493 -0.776 . . . . 0.0 110.194 -177.908 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 8.0 t60 176.59 132.81 0.05 Allowed 'General case' 0 C--N 1.312 -1.036 0 N-CA-C 105.593 -2.003 . . . . 0.0 105.593 -174.641 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 22.4 p-80 . . . . . 0 N--CA 1.411 -2.404 0 N-CA-C 110.398 -0.223 . . . . 0.0 110.398 177.395 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 66.9 mtt . . . . . 0 N--CA 1.472 0.663 0 N-CA-C 110.635 -0.135 . . . . 0.0 110.635 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 52.1 t-20 -98.81 123.69 43.22 Favored 'General case' 0 C--N 1.319 -0.752 0 N-CA-C 108.654 -0.869 . . . . 0.0 108.654 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 35.5 m -60.61 -24.24 31.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 N-CA-C 114.224 1.194 . . . . 0.0 114.224 -175.778 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 15.3 t -63.9 -37.31 86.94 Favored 'General case' 0 C--O 1.208 -1.1 0 C-N-CA 119.858 -0.737 . . . . 0.0 110.526 179.941 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 30.8 mmmt -68.67 -32.96 73.17 Favored 'General case' 0 CA--C 1.503 -0.862 0 CA-C-O 121.149 0.5 . . . . 0.0 109.991 -178.116 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 53.2 tp -69.15 -51.18 40.9 Favored 'General case' 0 C--N 1.304 -1.397 0 CA-C-N 115.143 -0.935 . . . . 0.0 109.468 178.732 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . 0.444 ' O ' ' HG2' ' A' ' 11' ' ' GLU . 0.2 OUTLIER -64.51 -39.31 93.55 Favored 'General case' 0 CA--C 1.534 0.362 0 CA-C-N 115.95 -0.568 . . . . 0.0 109.835 -178.379 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 18.1 m-20 -63.14 -38.07 89.73 Favored 'General case' 0 N--CA 1.474 0.755 0 N-CA-C 112.174 0.435 . . . . 0.0 112.174 178.344 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 70.8 mtp180 -65.29 -38.85 91.5 Favored 'General case' 0 CA--C 1.51 -0.587 0 CA-C-O 120.848 0.356 . . . . 0.0 110.129 176.277 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 84.3 mt -61.0 -45.09 99.22 Favored 'Isoleucine or valine' 0 C--O 1.206 -1.212 0 CA-C-N 115.701 -0.681 . . . . 0.0 109.699 177.03 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . 0.444 ' HG2' ' O ' ' A' ' 7' ' ' ASN . 20.4 mm-40 -59.39 -36.17 75.31 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-O 121.207 0.527 . . . . 0.0 111.491 178.398 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -73.21 -36.77 66.55 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-O 121.023 0.439 . . . . 0.0 110.07 178.277 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.424 ' O ' ' HB3' ' A' ' 16' ' ' GLU . 4.0 tmtm? -71.8 -38.69 70.21 Favored 'General case' 0 C--N 1.317 -0.83 0 CA-C-N 115.374 -0.83 . . . . 0.0 109.003 -178.297 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.639 ' O ' HG12 ' A' ' 18' ' ' ILE . 55.7 mtpt -59.03 -53.26 60.43 Favored 'General case' 0 C--N 1.316 -0.877 0 C-N-CA 123.443 0.697 . . . . 0.0 111.493 178.689 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 31.9 mmmt -65.77 -26.79 67.88 Favored 'General case' 0 N--CA 1.476 0.872 0 CA-C-O 121.495 0.664 . . . . 0.0 110.756 -179.755 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.424 ' HB3' ' O ' ' A' ' 13' ' ' LYS . 30.8 tt0 -67.1 -47.81 70.06 Favored 'General case' 0 C--N 1.314 -0.965 0 N-CA-C 108.344 -0.984 . . . . 0.0 108.344 176.769 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.526 ' O ' HG23 ' A' ' 21' ' ' VAL . 4.0 mt -61.29 -41.36 96.84 Favored 'General case' 0 C--O 1.197 -1.696 0 CA-C-N 114.705 -1.134 . . . . 0.0 111.987 179.493 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.639 HG12 ' O ' ' A' ' 14' ' ' LYS . 36.6 mm -52.65 -47.26 49.97 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.978 0 CA-C-O 121.688 0.756 . . . . 0.0 108.968 178.557 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 79.0 t80 -63.33 -49.68 72.98 Favored 'General case' 0 C--N 1.313 -0.993 0 CA-C-N 114.299 -1.319 . . . . 0.0 110.405 179.04 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 90.8 mt -65.8 -34.81 79.02 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 112.446 0.535 . . . . 0.0 112.446 -177.958 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.526 HG23 ' O ' ' A' ' 17' ' ' LEU . 71.7 t -62.24 -45.35 98.95 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.608 0 N-CA-C 109.892 -0.41 . . . . 0.0 109.892 177.409 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.51 ' HG2' ' O ' ' A' ' 18' ' ' ILE . 47.3 mm-40 -67.61 -45.84 74.28 Favored 'General case' 0 C--N 1.318 -0.781 0 CA-C-O 121.344 0.592 . . . . 0.0 110.08 179.538 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 23.6 tptm -65.34 -48.38 73.2 Favored 'General case' 0 N--CA 1.428 -1.547 0 C-N-CA 123.858 0.863 . . . . 0.0 113.271 -177.119 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 66.2 m-85 -105.58 5.38 31.26 Favored 'General case' 0 C--N 1.32 -0.679 0 N-CA-C 114.226 1.195 . . . . 0.0 114.226 -173.788 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 80.34 11.34 84.35 Favored Glycine 0 C--N 1.309 -0.922 0 C-N-CA 120.558 -0.83 . . . . 0.0 114.703 170.499 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 0.517 ' HB2' HG13 ' A' ' 21' ' ' VAL . 52.0 t80 70.23 -49.3 0.64 Allowed 'General case' 0 N--CA 1.475 0.782 0 C-N-CA 125.112 1.365 . . . . 0.0 114.041 177.908 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 18.7 p -67.91 -12.92 61.65 Favored 'General case' 0 C--N 1.315 -0.9 0 N-CA-C 113.479 0.918 . . . . 0.0 113.479 -174.944 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 78.4 t60 -64.0 125.1 23.34 Favored 'General case' 0 N--CA 1.444 -0.752 0 N-CA-C 107.468 -1.308 . . . . 0.0 107.468 173.847 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 21.1 t-80 -55.74 -32.36 63.32 Favored 'General case' 0 N--CA 1.471 0.611 0 N-CA-C 113.825 1.046 . . . . 0.0 113.825 -170.697 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 33.8 mmtp -64.6 -33.22 75.41 Favored 'General case' 0 C--N 1.324 -0.53 0 C-N-CA 119.717 -0.793 . . . . 0.0 111.966 176.816 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 47.2 t -68.23 -38.86 80.23 Favored 'Isoleucine or valine' 0 C--O 1.24 0.593 0 N-CA-C 108.453 -0.943 . . . . 0.0 108.453 178.559 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 63.3 mt -63.39 -37.73 80.31 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.783 0 CA-C-N 115.286 -0.87 . . . . 0.0 109.158 176.069 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 23.0 t -64.49 -45.21 88.29 Favored 'General case' 0 N--CA 1.444 -0.762 0 CA-C-N 115.895 -0.593 . . . . 0.0 109.745 177.811 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 16.4 m-85 -64.12 -33.41 75.71 Favored 'General case' 0 N--CA 1.464 0.241 0 CA-C-O 120.814 0.34 . . . . 0.0 110.446 179.643 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . 0.423 ' HA ' HD11 ' A' ' 17' ' ' LEU . 39.9 m -64.53 -41.58 96.28 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.144 177.807 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . 0.542 ' O ' ' HG3' ' A' ' 40' ' ' ARG . 48.6 mt-30 -71.83 -31.14 66.22 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.284 179.205 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 42.9 tt0 -65.91 -44.0 86.47 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 115.729 -0.669 . . . . 0.0 109.84 177.341 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 6.7 tt -63.79 -43.91 94.92 Favored 'General case' 0 CA--C 1.517 -0.304 0 N-CA-C 108.489 -0.93 . . . . 0.0 108.489 177.757 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 21.7 t70 -55.68 -36.45 67.14 Favored 'General case' 0 C--O 1.216 -0.681 0 CA-C-N 115.566 -0.743 . . . . 0.0 111.632 178.87 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . 0.542 ' HG3' ' O ' ' A' ' 36' ' ' GLN . 99.0 mtt180 -63.1 -45.45 91.98 Favored 'General case' 0 N--CA 1.472 0.646 0 CA-C-O 120.848 0.356 . . . . 0.0 110.385 178.33 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 89.4 mt -69.08 -41.83 77.02 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.657 -0.701 . . . . 0.0 109.967 179.928 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 47.8 tp -61.41 -40.93 96.21 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-N 115.371 -0.831 . . . . 0.0 110.567 178.698 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 15.9 t-20 -63.73 -25.42 68.19 Favored 'General case' 0 C--O 1.215 -0.73 0 CA-C-N 115.305 -0.861 . . . . 0.0 110.409 -179.251 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 96.6 mt -69.15 -35.46 76.37 Favored 'General case' 0 N--CA 1.443 -0.787 0 CA-C-N 116.466 -0.334 . . . . 0.0 110.543 177.044 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 79.9 mt -67.64 -37.24 82.16 Favored 'General case' 0 N--CA 1.471 0.603 0 N-CA-C 109.484 -0.561 . . . . 0.0 109.484 175.039 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 66.2 mt -63.87 -40.95 90.91 Favored 'Isoleucine or valine' 0 C--O 1.242 0.663 0 CA-C-N 115.211 -0.904 . . . . 0.0 109.107 176.953 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . 0.447 ' O ' ' HG2' ' A' ' 51' ' ' LYS . 5.6 tp10 -56.75 -50.94 70.75 Favored 'General case' 0 C--O 1.217 -0.633 0 CA-C-N 114.906 -1.043 . . . . 0.0 110.085 177.768 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -60.55 -34.4 74.1 Favored 'General case' 0 N--CA 1.473 0.679 0 N-CA-C 112.937 0.717 . . . . 0.0 112.937 179.724 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . 0.469 ' HD3' ' CG ' ' A' ' 61' ' ' HIS . 59.5 mttp -67.48 -39.12 85.23 Favored 'General case' 0 C--N 1.318 -0.766 0 CA-C-O 121.838 0.827 . . . . 0.0 109.738 176.226 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 21.4 m -73.4 -18.28 61.17 Favored 'General case' 0 CA--C 1.557 1.214 0 CA-C-N 114.892 -1.049 . . . . 0.0 110.602 -179.786 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . 0.447 ' HG2' ' O ' ' A' ' 47' ' ' GLU . 73.9 mmtt -70.65 -16.56 62.83 Favored 'General case' 0 CA--C 1.508 -0.659 0 CA-C-N 116.224 -0.443 . . . . 0.0 112.082 177.797 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 64.1 pttt 53.44 1.57 0.02 OUTLIER 'General case' 0 N--CA 1.514 2.77 0 C-N-CA 126.679 1.992 . . . . 0.0 115.865 173.726 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 14.3 ptmm? -79.57 -24.7 41.89 Favored 'General case' 0 C--N 1.305 -1.335 0 N-CA-C 112.734 0.642 . . . . 0.0 112.734 -176.221 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 25.7 mtp180 -98.69 -178.57 4.03 Favored 'General case' 0 C--N 1.306 -1.318 0 C-N-CA 120.81 -0.356 . . . . 0.0 110.393 179.423 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 63.1 m-85 -84.43 22.43 1.27 Allowed 'General case' 0 N--CA 1.478 0.932 0 CA-C-O 121.682 0.753 . . . . 0.0 111.429 -176.363 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 26.8 t -79.25 -1.55 37.04 Favored 'General case' 0 N--CA 1.434 -1.244 0 CA-C-N 115.591 -0.731 . . . . 0.0 111.9 -175.428 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 77.9 mt -90.65 -6.74 54.17 Favored 'General case' 0 C--O 1.238 0.493 0 N-CA-C 109.305 -0.628 . . . . 0.0 109.305 176.947 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 85.0 mt -83.95 -33.44 24.64 Favored 'General case' 0 N--CA 1.449 -0.52 0 N-CA-C 108.403 -0.962 . . . . 0.0 108.403 175.617 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -92.07 97.4 10.91 Favored 'General case' 0 C--N 1.312 -1.038 0 N-CA-C 107.942 -1.133 . . . . 0.0 107.942 176.826 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 28.2 p80 -67.89 137.19 55.07 Favored 'General case' 0 C--O 1.249 1.048 0 CA-C-O 122.048 0.928 . . . . 0.0 112.064 -176.779 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . 0.469 ' CG ' ' HD3' ' A' ' 49' ' ' LYS . 13.0 p80 -130.17 6.15 4.93 Favored 'General case' 0 C--N 1.295 -1.762 0 CA-C-N 114.229 -1.351 . . . . 0.0 112.225 -171.604 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 1.7 p80 -72.23 176.81 4.9 Favored 'General case' 0 C--N 1.311 -1.074 0 CA-C-O 120.962 0.41 . . . . 0.0 111.32 179.731 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 42.7 t-80 65.55 73.96 0.38 Allowed 'General case' 0 C--N 1.318 -0.802 0 C-N-CA 124.846 1.259 . . . . 0.0 111.73 -179.601 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 20.6 t60 . . . . . 0 C--N 1.306 -1.319 0 N-CA-C 105.62 -1.993 . . . . 0.0 105.62 175.149 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 25.7 ttt . . . . . 0 N--CA 1.472 0.644 0 CA-C-O 120.732 0.301 . . . . 0.0 111.292 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 29.2 m-80 -117.53 105.73 12.4 Favored 'General case' 0 CA--C 1.491 -1.3 0 C-N-CA 120.934 -0.307 . . . . 0.0 110.697 -172.195 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 28.1 m -64.89 -24.57 35.82 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.953 0 C-N-CA 120.739 -0.384 . . . . 0.0 110.454 176.724 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 8.7 t -65.48 -32.89 74.75 Favored 'General case' 0 CA--C 1.551 0.995 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.992 175.933 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.51 ' O ' ' HG3' ' A' ' 9' ' ' ARG . 31.9 mmtp -76.04 -37.29 58.52 Favored 'General case' 0 CA--C 1.5 -0.971 0 N-CA-C 109.668 -0.493 . . . . 0.0 109.668 178.056 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 23.4 tp -65.7 -38.97 90.69 Favored 'General case' 0 C--N 1.31 -1.128 0 N-CA-C 108.943 -0.762 . . . . 0.0 108.943 177.145 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . 0.417 ' O ' ' HB ' ' A' ' 10' ' ' ILE . 26.4 t-20 -60.94 -39.43 89.45 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.452 -0.795 . . . . 0.0 110.071 174.405 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 13.7 t70 -65.9 -36.31 83.05 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-N 115.623 -0.717 . . . . 0.0 110.384 179.09 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . 0.51 ' HG3' ' O ' ' A' ' 5' ' ' LYS . 97.1 mtt180 -65.84 -32.83 74.58 Favored 'General case' 0 C--O 1.243 0.72 0 CA-C-N 115.962 -0.563 . . . . 0.0 109.696 176.765 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.551 ' O ' ' HG3' ' A' ' 14' ' ' LYS . 83.0 mt -64.7 -39.36 85.37 Favored 'Isoleucine or valine' 0 C--O 1.21 -1.026 0 CA-C-N 115.494 -0.775 . . . . 0.0 109.541 174.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . 0.531 ' O ' ' HG3' ' A' ' 15' ' ' LYS . 39.7 tt0 -55.09 -49.3 72.03 Favored 'General case' 0 N--CA 1.472 0.645 0 CA-C-O 120.917 0.389 . . . . 0.0 110.418 179.256 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -66.09 -27.17 67.86 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.806 -0.633 . . . . 0.0 111.051 -179.782 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 55.5 tptt -75.87 -39.02 57.3 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-N 115.741 -0.663 . . . . 0.0 109.572 179.142 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.551 ' HG3' ' O ' ' A' ' 10' ' ' ILE . 50.3 mtpt -62.26 -47.57 83.76 Favored 'General case' 0 C--O 1.218 -0.556 0 CA-C-N 115.592 -0.731 . . . . 0.0 109.399 178.082 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.531 ' HG3' ' O ' ' A' ' 11' ' ' GLU . 29.2 mtpp -59.05 -43.75 91.73 Favored 'General case' 0 N--CA 1.469 0.51 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.147 179.887 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 30.8 tt0 -58.76 -48.92 79.55 Favored 'General case' 0 C--O 1.246 0.902 0 CA-C-N 114.792 -1.095 . . . . 0.0 110.31 179.315 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.448 ' O ' HG23 ' A' ' 21' ' ' VAL . 34.3 tp -67.27 -48.69 66.94 Favored 'General case' 0 N--CA 1.445 -0.697 0 CA-C-N 115.021 -0.99 . . . . 0.0 110.735 -177.625 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.477 ' O ' ' HG2' ' A' ' 22' ' ' GLU . 76.7 mt -53.89 -45.59 63.29 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.455 0 C-N-CA 122.826 0.45 . . . . 0.0 110.701 179.335 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 87.8 t80 -54.32 -45.49 72.62 Favored 'General case' 0 C--O 1.245 0.827 0 C-N-CA 123.41 0.684 . . . . 0.0 111.142 178.923 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 92.1 mt -71.76 -39.59 69.9 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.176 -178.702 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.529 ' HA ' ' O ' ' A' ' 25' ' ' GLY . 67.6 t -64.77 -39.96 87.42 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.64 0 CA-C-N 116.465 -0.334 . . . . 0.0 110.933 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.477 ' HG2' ' O ' ' A' ' 18' ' ' ILE . 36.5 mm-40 -64.0 -44.01 93.94 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-O 120.972 0.415 . . . . 0.0 110.886 178.458 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 8.4 mtpm? -82.49 -47.91 11.66 Favored 'General case' 0 C--N 1.321 -0.645 0 N-CA-C 114.231 1.197 . . . . 0.0 114.231 -175.478 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 73.3 m-85 -103.72 -39.93 6.48 Favored 'General case' 0 C--N 1.307 -1.248 0 CA-C-O 121.216 0.531 . . . . 0.0 111.247 -175.849 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . 0.529 ' O ' ' HA ' ' A' ' 21' ' ' VAL . . . 121.58 -157.61 16.4 Favored Glycine 0 C--N 1.29 -1.98 0 N-CA-C 109.248 -1.541 . . . . 0.0 109.248 -175.045 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 43.3 p90 -135.36 17.26 3.4 Favored 'General case' 0 C--N 1.303 -1.454 0 CA-C-N 117.692 0.746 . . . . 0.0 111.303 -177.406 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 4.9 m -88.53 -25.54 22.48 Favored 'General case' 0 C--N 1.294 -1.846 0 N-CA-C 112.23 0.456 . . . . 0.0 112.23 -174.65 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 37.3 p-80 -82.65 160.36 22.47 Favored 'General case' 0 C--O 1.244 0.813 0 C-N-CA 120.096 -0.642 . . . . 0.0 111.916 -176.555 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 73.8 m-70 -60.87 -32.26 71.7 Favored 'General case' 0 N--CA 1.477 0.881 0 N-CA-C 115.034 1.494 . . . . 0.0 115.034 -171.814 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -62.52 -47.6 83.23 Favored 'General case' 0 C--N 1.321 -0.649 0 C-N-CA 120.199 -0.6 . . . . 0.0 111.377 -179.878 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.445 HG13 HD11 ' A' ' 17' ' ' LEU . 85.1 t -61.75 -42.31 93.9 Favored 'Isoleucine or valine' 0 C--O 1.239 0.525 0 N-CA-C 110.105 -0.331 . . . . 0.0 110.105 178.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 68.8 mt -57.63 -48.86 82.34 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.473 0 CA-C-N 115.839 -0.619 . . . . 0.0 109.612 177.878 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 34.9 m -61.09 -41.52 96.81 Favored 'General case' 0 N--CA 1.446 -0.655 0 CA-C-N 115.793 -0.639 . . . . 0.0 111.44 179.603 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 25.9 m-85 -68.44 -33.57 74.43 Favored 'General case' 0 N--CA 1.453 -0.308 0 N-CA-C 111.801 0.297 . . . . 0.0 111.801 179.419 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 22.7 t -69.48 -35.71 75.84 Favored 'General case' 0 C--N 1.322 -0.617 0 N-CA-C 109.677 -0.49 . . . . 0.0 109.677 178.566 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 93.9 mt-30 -68.99 -35.19 76.42 Favored 'General case' 0 N--CA 1.468 0.471 0 CA-C-O 121.462 0.648 . . . . 0.0 109.646 175.758 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 30.1 tt0 -71.09 -41.82 70.13 Favored 'General case' 0 N--CA 1.44 -0.935 0 CA-C-N 115.404 -0.817 . . . . 0.0 110.488 179.813 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 6.4 tt -61.98 -42.76 99.49 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 107.977 -1.12 . . . . 0.0 107.977 176.796 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 17.1 t70 -56.38 -41.4 76.15 Favored 'General case' 0 C--O 1.22 -0.499 0 CA-C-N 115.044 -0.98 . . . . 0.0 111.318 176.102 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . 0.415 ' O ' ' HG ' ' A' ' 44' ' ' LEU . 34.4 ttp180 -65.07 -42.65 93.98 Favored 'General case' 0 C--N 1.318 -0.791 0 CA-C-N 115.843 -0.617 . . . . 0.0 111.063 -179.215 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 10.9 mp -66.26 -41.4 89.96 Favored 'General case' 0 N--CA 1.47 0.552 0 CA-C-O 121.099 0.476 . . . . 0.0 110.527 175.941 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 6.6 tt -63.73 -35.88 82.04 Favored 'General case' 0 C--N 1.322 -0.629 0 N-CA-C 109.291 -0.633 . . . . 0.0 109.291 179.567 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . 0.435 ' HA ' HD12 ' A' ' 46' ' ' ILE . 18.0 t-20 -65.6 -27.23 68.25 Favored 'General case' 0 C--N 1.317 -0.821 0 CA-C-N 115.748 -0.66 . . . . 0.0 110.988 -179.588 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.507 ' O ' ' HB3' ' A' ' 47' ' ' GLU . 87.3 mt -68.27 -31.59 71.16 Favored 'General case' 0 C--N 1.317 -0.821 0 CA-C-O 121.236 0.541 . . . . 0.0 109.885 177.265 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 9.6 mp -73.91 -33.65 64.06 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.627 174.599 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.435 HD12 ' HA ' ' A' ' 43' ' ' ASN . 63.3 mt -59.56 -37.7 71.72 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.59 0 CA-C-O 121.808 0.813 . . . . 0.0 109.284 176.072 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . 0.507 ' HB3' ' O ' ' A' ' 44' ' ' LEU . 26.5 tt0 -58.08 -29.82 65.74 Favored 'General case' 0 CA--C 1.555 1.169 0 C-N-CA 125.114 1.366 . . . . 0.0 111.352 176.948 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -64.25 -36.26 83.52 Favored 'General case' 0 C--N 1.325 -0.485 0 C-N-CA 122.846 0.458 . . . . 0.0 111.603 -176.182 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 4.2 mptp? -69.77 -30.61 68.22 Favored 'General case' 0 C--O 1.216 -0.674 0 N-CA-C 111.747 0.277 . . . . 0.0 111.747 -177.336 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 14.4 m -59.74 -17.59 36.17 Favored 'General case' 0 CA--C 1.558 1.28 0 C-N-CA 124.641 1.176 . . . . 0.0 112.974 -176.733 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . 0.465 ' NZ ' ' HG2' ' A' ' 47' ' ' GLU . 13.7 mptt -70.93 -21.65 62.33 Favored 'General case' 0 C--N 1.327 -0.413 0 O-C-N 121.967 -0.458 . . . . 0.0 110.797 177.128 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . 0.294 18.7 ptpt 54.21 -8.61 0.01 OUTLIER 'General case' 0 N--CA 1.498 1.938 0 C-N-CA 127.32 2.248 . . . . 0.0 116.279 -179.45 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . 0.416 ' H ' ' C ' ' A' ' 51' ' ' LYS . 64.3 pttt -81.51 -9.27 59.74 Favored 'General case' 0 C--N 1.31 -1.125 0 N-CA-C 107.089 -1.448 . . . . 0.0 107.089 171.505 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 40.2 mmt180 -92.39 113.85 26.23 Favored 'General case' 0 CA--C 1.469 -2.156 0 N-CA-C 105.183 -2.154 . . . . 0.0 105.183 171.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 98.6 m-85 -79.39 75.35 5.99 Favored 'General case' 0 N--CA 1.419 -2.023 0 CA-C-O 122.436 1.112 . . . . 0.0 113.156 -172.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 45.5 m -108.26 7.94 27.56 Favored 'General case' 0 C--N 1.286 -2.156 0 CA-C-N 113.369 -1.741 . . . . 0.0 109.014 170.473 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 6.3 mp -70.47 -23.62 62.72 Favored 'General case' 0 N--CA 1.472 0.665 0 N-CA-C 112.375 0.509 . . . . 0.0 112.375 -175.932 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -92.66 -10.43 37.31 Favored 'General case' 0 C--N 1.315 -0.917 0 CA-C-O 121.374 0.606 . . . . 0.0 109.388 177.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 40.7 mt-10 -92.22 -76.93 0.45 Allowed 'General case' 0 C--N 1.313 -0.997 0 CA-C-N 115.307 -0.861 . . . . 0.0 108.684 177.172 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 49.7 t60 -172.45 119.76 0.39 Allowed 'General case' 0 C--N 1.296 -1.736 0 N-CA-C 106.222 -1.769 . . . . 0.0 106.222 -178.11 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 57.4 t-80 -94.39 151.12 19.64 Favored 'General case' 0 C--N 1.3 -1.556 0 N-CA-C 108.727 -0.842 . . . . 0.0 108.727 -176.67 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 87.8 m-70 -124.54 138.19 54.35 Favored 'General case' 0 C--N 1.311 -1.086 0 O-C-N 122.571 -0.081 . . . . 0.0 110.967 -178.361 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 37.0 m80 68.57 101.47 0.05 Allowed 'General case' 0 N--CA 1.472 0.635 0 C-N-CA 125.05 1.34 . . . . 0.0 110.167 -176.003 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 71.1 m80 . . . . . 0 C--N 1.311 -1.074 0 CA-C-N 115.23 -0.895 . . . . 0.0 110.74 -175.727 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.8 mpt? . . . . . 0 N--CA 1.473 0.678 0 N-CA-C 111.909 0.337 . . . . 0.0 111.909 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 17.6 m120 -137.03 127.56 26.8 Favored 'General case' 0 CA--C 1.5 -0.95 0 N-CA-C 110.231 -0.285 . . . . 0.0 110.231 -179.348 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 30.6 m -68.98 -25.29 29.68 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.745 0 N-CA-C 111.919 0.34 . . . . 0.0 111.919 178.793 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 9.6 t -67.95 -35.67 78.78 Favored 'General case' 0 CA--C 1.549 0.917 0 C-N-CA 120.301 -0.56 . . . . 0.0 109.727 176.459 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.438 ' O ' ' HG3' ' A' ' 9' ' ' ARG . 13.4 mptt -73.64 -30.94 63.25 Favored 'General case' 0 N--CA 1.449 -0.515 0 O-C-N 122.187 -0.321 . . . . 0.0 110.428 175.699 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.529 ' O ' HG13 ' A' ' 10' ' ' ILE . 48.1 tp -61.84 -49.57 75.75 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 108.323 -0.992 . . . . 0.0 108.323 174.114 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 41.4 t30 -58.2 -42.17 85.58 Favored 'General case' 0 N--CA 1.474 0.757 0 C-N-CA 123.66 0.784 . . . . 0.0 110.826 177.908 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 18.4 t70 -58.62 -43.2 89.56 Favored 'General case' 0 N--CA 1.47 0.562 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.265 178.399 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . 0.438 ' HG3' ' O ' ' A' ' 5' ' ' LYS . 82.2 mtp180 -64.03 -42.26 97.14 Favored 'General case' 0 C--O 1.218 -0.572 0 CA-C-N 115.671 -0.695 . . . . 0.0 110.51 177.236 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.529 HG13 ' O ' ' A' ' 6' ' ' LEU . 80.5 mt -62.73 -41.71 93.4 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.611 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.53 -179.57 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 33.0 tt0 -65.63 -40.04 92.14 Favored 'General case' 0 C--N 1.317 -0.826 0 CA-C-O 121.441 0.639 . . . . 0.0 109.895 179.628 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -68.15 -25.0 65.05 Favored 'General case' 0 C--N 1.315 -0.899 0 CA-C-N 115.489 -0.778 . . . . 0.0 110.449 177.234 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 54.6 tptt -77.3 -33.79 55.59 Favored 'General case' 0 N--CA 1.448 -0.572 0 N-CA-C 108.831 -0.803 . . . . 0.0 108.831 -179.491 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.529 ' O ' HG13 ' A' ' 18' ' ' ILE . 95.7 mttt -63.32 -48.6 77.37 Favored 'General case' 0 CA--C 1.507 -0.68 0 CA-C-N 115.467 -0.788 . . . . 0.0 109.072 177.199 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 34.5 mmtp -64.99 -30.75 71.76 Favored 'General case' 0 N--CA 1.467 0.392 0 CA-C-N 115.33 -0.85 . . . . 0.0 110.432 -179.714 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 33.2 tt0 -69.78 -45.23 68.46 Favored 'General case' 0 N--CA 1.44 -0.973 0 N-CA-C 107.937 -1.134 . . . . 0.0 107.937 -178.956 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 5.1 mt -64.15 -36.48 84.2 Favored 'General case' 0 C--O 1.211 -0.953 0 CA-C-N 115.168 -0.924 . . . . 0.0 112.164 177.256 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.529 HG13 ' O ' ' A' ' 14' ' ' LYS . 77.2 mt -62.01 -48.56 87.98 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.637 0 N-CA-C 109.1 -0.704 . . . . 0.0 109.1 176.768 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . 0.529 ' O ' ' HG2' ' A' ' 23' ' ' LYS . 92.3 t80 -63.43 -52.19 62.55 Favored 'General case' 0 N--CA 1.437 -1.088 0 CA-C-N 115.436 -0.802 . . . . 0.0 110.972 179.375 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 89.5 mt -65.21 -35.1 80.02 Favored 'General case' 0 C--N 1.319 -0.736 0 N-CA-C 113.224 0.824 . . . . 0.0 113.224 -176.65 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.407 HG12 ' O ' ' A' ' 18' ' ' ILE . 8.4 p -66.43 -39.56 84.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 C-N-CA 120.359 -0.536 . . . . 0.0 109.836 -179.187 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.427 ' HG3' ' O ' ' A' ' 18' ' ' ILE . 43.9 mt-10 -68.92 -37.35 78.87 Favored 'General case' 0 C--N 1.307 -1.278 0 CA-C-N 115.855 -0.611 . . . . 0.0 112.073 177.207 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.529 ' HG2' ' O ' ' A' ' 19' ' ' TYR . 32.3 mmmt -78.77 -39.11 36.92 Favored 'General case' 0 N--CA 1.47 0.525 0 N-CA-C 112.637 0.606 . . . . 0.0 112.637 -176.722 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 24.4 m-85 -86.08 -42.58 13.8 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-O 120.922 0.391 . . . . 0.0 111.327 -179.674 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 134.47 146.03 5.34 Favored Glycine 0 N--CA 1.428 -1.847 0 N-CA-C 110.336 -1.106 . . . . 0.0 110.336 -178.211 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 97.2 m-85 -72.03 128.07 34.56 Favored 'General case' 0 C--N 1.305 -1.351 0 N-CA-C 109.154 -0.684 . . . . 0.0 109.154 -179.739 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 19.1 m 65.53 83.51 0.17 Allowed 'General case' 0 C--O 1.245 0.822 0 C-N-CA 124.217 1.007 . . . . 0.0 109.174 -172.261 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . 0.411 ' CD2' ' H ' ' A' ' 30' ' ' LYS . 54.5 t60 -134.27 142.92 47.48 Favored 'General case' 0 C--N 1.302 -1.46 0 N-CA-C 106.894 -1.521 . . . . 0.0 106.894 -177.621 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 24.4 p-80 -54.65 -40.26 68.84 Favored 'General case' 0 C--N 1.318 -0.763 0 N-CA-C 113.55 0.944 . . . . 0.0 113.55 -174.511 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.411 ' H ' ' CD2' ' A' ' 28' ' ' HIS . 63.3 mttp -70.41 -40.17 74.03 Favored 'General case' 0 CA--C 1.516 -0.342 0 N-CA-C 112.092 0.404 . . . . 0.0 112.092 -179.106 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 21.2 m -67.98 -32.83 57.94 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.236 0 C-N-CA 120.215 -0.594 . . . . 0.0 111.081 -177.363 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 77.5 mt -62.31 -42.33 95.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 CA-C-N 115.925 -0.58 . . . . 0.0 109.442 175.936 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 18.0 m -64.71 -41.05 96.28 Favored 'General case' 0 CA--C 1.541 0.628 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.498 177.863 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 18.1 m-85 -66.68 -36.8 83.38 Favored 'General case' 0 C--O 1.24 0.575 0 CA-C-N 116.431 -0.35 . . . . 0.0 110.279 179.433 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 34.3 t -64.1 -43.11 96.37 Favored 'General case' 0 N--CA 1.443 -0.78 0 CA-C-N 115.693 -0.685 . . . . 0.0 110.55 179.47 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 79.6 mt-30 -63.71 -34.05 77.0 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 116.619 -0.264 . . . . 0.0 111.476 178.915 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 7.7 mm-40 -68.91 -47.6 65.39 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.911 175.474 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 6.2 tt -58.22 -42.62 86.68 Favored 'General case' 0 N--CA 1.466 0.365 0 N-CA-C 108.792 -0.818 . . . . 0.0 108.792 178.625 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 24.5 t70 -62.53 -40.77 97.84 Favored 'General case' 0 C--N 1.317 -0.84 0 CA-C-N 115.332 -0.849 . . . . 0.0 110.912 -179.362 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 63.7 ttp85 -68.75 -43.05 76.63 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.696 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.419 ' O ' ' HB2' ' A' ' 44' ' ' LEU . 10.7 mp -67.86 -36.21 79.89 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 120.843 0.354 . . . . 0.0 110.843 177.367 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 53.2 tp -61.05 -41.67 97.04 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 121.615 0.721 . . . . 0.0 109.221 175.473 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 3.7 t-20 -63.45 -33.8 76.35 Favored 'General case' 0 N--CA 1.438 -1.032 0 CA-C-N 114.849 -1.068 . . . . 0.0 110.337 179.699 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.419 ' HB2' ' O ' ' A' ' 41' ' ' LEU . 72.7 mt -56.39 -41.97 77.15 Favored 'General case' 0 N--CA 1.47 0.561 0 C-N-CA 123.032 0.533 . . . . 0.0 111.7 177.601 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 90.5 mt -60.82 -38.64 86.12 Favored 'General case' 0 C--O 1.241 0.621 0 CA-C-O 121.091 0.472 . . . . 0.0 110.327 179.037 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 36.8 mt -73.74 -50.96 26.56 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.053 0 CA-C-N 115.346 -0.843 . . . . 0.0 109.709 179.604 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . 0.46 ' O ' ' HG2' ' A' ' 51' ' ' LYS . 36.3 tt0 -56.5 -53.26 59.53 Favored 'General case' 0 C--N 1.32 -0.684 0 C-N-CA 124.455 1.102 . . . . 0.0 111.692 -176.353 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.413 ' HB3' HD11 ' A' ' 57' ' ' LEU . 4.5 mm? -59.69 -41.27 90.36 Favored 'General case' 0 N--CA 1.441 -0.879 0 CA-C-N 115.739 -0.664 . . . . 0.0 112.681 -177.569 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 37.1 mtmm -70.04 -33.63 72.21 Favored 'General case' 0 C--N 1.324 -0.525 0 C-N-CA 120.208 -0.597 . . . . 0.0 111.599 178.535 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 65.9 m -65.83 -40.02 91.38 Favored 'General case' 0 N--CA 1.441 -0.895 0 CA-C-N 116.437 -0.347 . . . . 0.0 110.835 178.909 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . 0.477 ' C ' ' H ' ' A' ' 53' ' ' LYS . 15.5 ptpt -84.55 -61.12 1.87 Allowed 'General case' 0 N--CA 1.427 -1.577 0 C-N-CA 119.433 -0.907 . . . . 0.0 111.335 179.337 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 65.2 pttt 43.66 -0.17 0.0 OUTLIER 'General case' 0 N--CA 1.518 2.965 0 C-N-CA 127.457 2.303 . . . . 0.0 116.617 -176.231 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . 0.477 ' H ' ' C ' ' A' ' 51' ' ' LYS . 13.5 ptmm? -86.36 -13.65 45.81 Favored 'General case' 0 C--N 1.293 -1.884 0 C-N-CA 124.982 1.313 . . . . 0.0 109.672 179.169 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 14.4 mmt180 -82.28 146.2 29.58 Favored 'General case' 0 N--CA 1.423 -1.821 0 CA-C-N 114.918 -1.037 . . . . 0.0 108.919 175.676 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 91.7 m-85 -78.15 8.01 5.46 Favored 'General case' 0 C--N 1.302 -1.483 0 CA-C-N 115.692 -0.685 . . . . 0.0 112.646 -173.115 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . 0.436 ' HA ' ' HB2' ' A' ' 61' ' ' HIS . 4.0 p -76.48 -32.0 58.1 Favored 'General case' 0 C--N 1.3 -1.553 0 C-N-CA 123.273 0.629 . . . . 0.0 111.426 179.006 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.413 HD11 ' HB3' ' A' ' 48' ' ' LEU . 61.1 mt -92.46 -32.88 14.73 Favored 'General case' 0 CA--C 1.495 -1.14 0 CA-C-O 121.655 0.74 . . . . 0.0 109.452 175.94 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 58.1 mt -76.66 -63.4 1.36 Allowed 'General case' 0 C--N 1.298 -1.645 0 CA-C-N 114.463 -1.244 . . . . 0.0 111.448 -174.478 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 20.3 mm-40 -108.21 -162.26 0.82 Allowed 'General case' 0 C--N 1.295 -1.763 0 N-CA-C 107.735 -1.209 . . . . 0.0 107.735 -171.759 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 39.2 p-80 -82.41 143.53 31.13 Favored 'General case' 0 C--N 1.289 -2.047 0 N-CA-C 107.367 -1.345 . . . . 0.0 107.367 174.225 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . 0.436 ' HB2' ' HA ' ' A' ' 56' ' ' SER . 71.5 t60 -106.22 94.73 5.31 Favored 'General case' 0 C--N 1.286 -2.153 0 C-N-CA 119.532 -0.867 . . . . 0.0 109.48 178.889 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 12.4 t60 -135.49 109.01 7.91 Favored 'General case' 0 C--N 1.296 -1.743 0 N-CA-C 107.527 -1.286 . . . . 0.0 107.527 179.812 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 48.3 t-80 -84.71 133.66 34.37 Favored 'General case' 0 C--N 1.294 -1.841 0 N-CA-C 108.283 -1.006 . . . . 0.0 108.283 -178.878 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 40.6 m80 . . . . . 0 N--CA 1.423 -1.817 0 N-CA-C 108.573 -0.899 . . . . 0.0 108.573 179.052 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 52.1 ttp . . . . . 0 C--O 1.233 0.214 0 N-CA-C 109.549 -0.537 . . . . 0.0 109.549 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 15.6 m120 -49.88 130.56 21.77 Favored 'General case' 0 N--CA 1.478 0.953 0 C-N-CA 124.498 1.119 . . . . 0.0 110.531 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 26.8 m -64.4 -22.69 31.75 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.771 0 CA-C-O 121.142 0.496 . . . . 0.0 111.963 -178.656 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 11.9 t -65.69 -26.51 67.81 Favored 'General case' 0 N--CA 1.442 -0.863 0 N-CA-C 109.652 -0.499 . . . . 0.0 109.652 177.471 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.417 ' O ' ' HG3' ' A' ' 9' ' ' ARG . 55.3 mttm -72.76 -35.97 67.59 Favored 'General case' 0 CA--C 1.512 -0.51 0 C-N-CA 122.693 0.397 . . . . 0.0 110.46 179.415 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 40.0 tp -67.27 -44.98 77.99 Favored 'General case' 0 C--N 1.315 -0.92 0 N-CA-C 109.057 -0.72 . . . . 0.0 109.057 178.031 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 63.1 t30 -66.41 -31.52 72.32 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.675 -0.693 . . . . 0.0 110.084 177.853 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 29.5 t70 -62.02 -40.22 94.96 Favored 'General case' 0 C--O 1.239 0.548 0 CA-C-N 115.749 -0.659 . . . . 0.0 110.313 178.611 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . 0.437 ' O ' ' HG2' ' A' ' 13' ' ' LYS . 21.5 mtp180 -62.64 -41.92 99.31 Favored 'General case' 0 CA--C 1.516 -0.329 0 CA-C-N 115.387 -0.824 . . . . 0.0 109.654 177.152 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.409 HG22 ' HD2' ' A' ' 14' ' ' LYS . 68.7 mt -58.88 -53.36 48.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 N-CA-C 109.149 -0.685 . . . . 0.0 109.149 177.397 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 23.6 mm-40 -54.74 -42.02 71.1 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.726 -0.67 . . . . 0.0 112.201 -179.808 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -71.74 -31.71 66.96 Favored 'General case' 0 C--N 1.317 -0.833 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.407 -179.938 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.437 ' HG2' ' O ' ' A' ' 9' ' ' ARG . 28.5 mmtp -77.27 -32.63 55.68 Favored 'General case' 0 C--O 1.217 -0.641 0 C-N-CA 119.771 -0.772 . . . . 0.0 110.934 178.184 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.533 ' HG3' HD21 ' A' ' 38' ' ' LEU . 58.0 mtpt -59.53 -46.39 89.01 Favored 'General case' 0 C--N 1.325 -0.466 0 C-N-CA 122.821 0.448 . . . . 0.0 110.653 176.773 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.64 -26.94 64.65 Favored 'General case' 0 C--O 1.247 0.973 0 CA-C-O 121.36 0.6 . . . . 0.0 111.135 -179.584 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.469 ' O ' ' HG ' ' A' ' 20' ' ' LEU . 35.4 tt0 -76.26 -44.46 37.15 Favored 'General case' 0 CA--C 1.501 -0.912 0 N-CA-C 107.949 -1.13 . . . . 0.0 107.949 -176.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.494 ' O ' HG23 ' A' ' 21' ' ' VAL . 20.3 mt -57.61 -45.29 85.52 Favored 'General case' 0 N--CA 1.431 -1.41 0 CA-C-N 114.915 -1.038 . . . . 0.0 112.583 177.292 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.461 HG13 ' O ' ' A' ' 14' ' ' LYS . 78.1 mt -56.47 -45.24 81.89 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.623 0 N-CA-C 109.892 -0.41 . . . . 0.0 109.892 178.592 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 72.8 t80 -64.73 -47.63 77.57 Favored 'General case' 0 C--O 1.246 0.885 0 CA-C-N 115.449 -0.796 . . . . 0.0 111.16 178.135 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.469 ' HG ' ' O ' ' A' ' 16' ' ' GLU . 92.2 mt -64.55 -41.52 96.28 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.928 -0.578 . . . . 0.0 112.181 -177.757 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.494 HG23 ' O ' ' A' ' 17' ' ' LEU . 69.6 t -57.19 -42.36 79.69 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.359 0 CA-C-O 121.034 0.445 . . . . 0.0 110.189 176.721 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 23.8 mm-40 -68.78 -40.7 79.54 Favored 'General case' 0 C--N 1.308 -1.236 0 N-CA-C 113.398 0.888 . . . . 0.0 113.398 179.715 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 38.9 ttpt -79.11 -45.17 20.58 Favored 'General case' 0 N--CA 1.417 -2.112 0 N-CA-C 112.495 0.554 . . . . 0.0 112.495 -177.942 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 96.7 m-85 -93.96 -38.39 11.2 Favored 'General case' 0 C--N 1.317 -0.815 0 N-CA-C 113.116 0.784 . . . . 0.0 113.116 -175.891 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 118.09 169.12 14.6 Favored Glycine 0 C--N 1.304 -1.242 0 N-CA-C 111.23 -0.748 . . . . 0.0 111.23 -177.383 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 95.8 m-85 -77.72 -34.67 52.57 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-O 121.005 0.431 . . . . 0.0 110.855 -178.637 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 27.7 p -84.66 -5.49 59.31 Favored 'General case' 0 C--N 1.311 -1.103 0 CA-C-N 115.697 -0.683 . . . . 0.0 112.621 -173.314 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 21.8 t60 -75.32 124.26 26.79 Favored 'General case' 0 N--CA 1.435 -1.195 0 N-CA-C 109.004 -0.739 . . . . 0.0 109.004 -175.517 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 17.0 t60 -58.1 -33.56 69.24 Favored 'General case' 0 N--CA 1.472 0.668 0 C-N-CA 123.522 0.729 . . . . 0.0 112.831 -171.296 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 47.3 mmtm -58.23 -45.34 87.88 Favored 'General case' 0 N--CA 1.469 0.517 0 C-N-CA 120.846 -0.341 . . . . 0.0 110.3 177.615 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 94.5 t -61.79 -41.55 91.06 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.642 0 CA-C-N 115.719 -0.673 . . . . 0.0 109.862 -178.949 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.429 ' O ' ' HG2' ' A' ' 36' ' ' GLN . 38.3 mm -61.21 -50.58 79.91 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.769 0 CA-C-N 115.246 -0.888 . . . . 0.0 108.776 177.613 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 38.1 t -53.49 -49.86 66.59 Favored 'General case' 0 C--N 1.316 -0.882 0 CA-C-N 114.955 -1.02 . . . . 0.0 111.738 178.615 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . 0.45 ' HB2' HD21 ' A' ' 17' ' ' LEU . 36.9 m-85 -64.13 -35.09 79.63 Favored 'General case' 0 C--O 1.241 0.625 0 CA-C-O 121.281 0.563 . . . . 0.0 110.424 179.621 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 29.8 t -69.3 -31.38 69.83 Favored 'General case' 0 CA--C 1.551 1.012 0 CA-C-N 115.417 -0.81 . . . . 0.0 110.885 179.122 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . 0.429 ' HG2' ' O ' ' A' ' 32' ' ' ILE . 30.8 mm-40 -63.86 -41.0 97.88 Favored 'General case' 0 C--O 1.242 0.686 0 N-CA-C 109.789 -0.449 . . . . 0.0 109.789 176.215 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . 0.474 ' O ' ' HG ' ' A' ' 41' ' ' LEU . 28.5 tt0 -66.18 -42.72 88.5 Favored 'General case' 0 C--O 1.222 -0.381 0 CA-C-N 115.443 -0.799 . . . . 0.0 109.486 178.357 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.533 HD21 ' HG3' ' A' ' 14' ' ' LYS . 3.4 tm? -55.54 -52.22 64.42 Favored 'General case' 0 C--O 1.239 0.536 0 CA-C-N 115.578 -0.737 . . . . 0.0 109.876 -179.773 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 22.6 t70 -60.53 -36.04 77.45 Favored 'General case' 0 C--N 1.318 -0.793 0 CA-C-N 115.47 -0.787 . . . . 0.0 111.179 179.231 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . 0.418 ' O ' ' HG ' ' A' ' 44' ' ' LEU . 42.6 ttm180 -67.25 -44.59 79.02 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.422 179.358 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.474 ' HG ' ' O ' ' A' ' 37' ' ' GLU . 93.5 mt -60.63 -43.11 97.89 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.87 -0.604 . . . . 0.0 110.426 178.76 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 51.3 tp -62.92 -42.07 99.67 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.75 -0.659 . . . . 0.0 109.88 177.555 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 21.8 t-20 -63.43 -30.15 71.32 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 115.246 -0.888 . . . . 0.0 111.055 -177.91 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.418 ' HG ' ' O ' ' A' ' 40' ' ' ARG . 96.1 mt -60.65 -46.99 88.24 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.889 177.121 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 98.6 mt -61.8 -43.83 98.06 Favored 'General case' 0 CA--C 1.514 -0.433 0 CA-C-O 121.311 0.576 . . . . 0.0 109.576 179.134 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 74.5 mt -62.1 -39.26 83.21 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.855 0 CA-C-N 115.004 -0.998 . . . . 0.0 110.48 179.839 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 32.3 tt0 -63.75 -46.72 84.04 Favored 'General case' 0 C--N 1.322 -0.63 0 C-N-CA 122.579 0.352 . . . . 0.0 110.627 179.703 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -61.69 -39.77 92.65 Favored 'General case' 0 N--CA 1.47 0.57 0 C-N-CA 120.762 -0.375 . . . . 0.0 111.221 177.694 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 62.3 mtpt -70.6 -33.07 70.65 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.891 -179.519 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 17.3 p -78.67 -37.01 42.86 Favored 'General case' 0 C--O 1.243 0.719 0 N-CA-C 111.932 0.345 . . . . 0.0 111.932 179.699 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 91.3 mttt -66.39 -42.54 87.74 Favored 'General case' 0 N--CA 1.441 -0.882 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.045 176.086 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 18.1 ptpt 51.18 15.87 0.32 Allowed 'General case' 0 N--CA 1.504 2.257 0 C-N-CA 126.755 2.022 . . . . 0.0 113.964 177.274 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.55 -8.15 54.78 Favored 'General case' 0 C--N 1.304 -1.387 0 CA-C-O 121.905 0.859 . . . . 0.0 112.517 -177.131 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . 0.42 ' C ' ' H ' ' A' ' 56' ' ' SER . 98.9 mtt180 -97.24 110.85 23.31 Favored 'General case' 0 N--CA 1.425 -1.692 0 N-CA-C 103.729 -2.693 . . . . 0.0 103.729 166.595 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 55.0 m-85 -81.21 24.41 0.53 Allowed 'General case' 0 C--N 1.296 -1.755 0 CA-C-O 121.248 0.547 . . . . 0.0 111.996 -170.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . 0.507 ' HA ' ' O ' ' A' ' 59' ' ' GLU . 11.5 t -65.19 -21.76 66.81 Favored 'General case' 0 C--N 1.312 -1.03 0 C-N-CA 124.897 1.279 . . . . 0.0 109.52 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 87.5 mt -71.67 -27.15 62.86 Favored 'General case' 0 CA--C 1.534 0.344 0 CA-C-N 115.772 -0.649 . . . . 0.0 109.775 177.412 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 5.6 mp -94.31 -52.62 4.27 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 109.446 -0.576 . . . . 0.0 109.446 -178.936 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . 0.507 ' O ' ' HA ' ' A' ' 56' ' ' SER . 10.9 pt-20 -139.41 133.98 31.76 Favored 'General case' 0 N--CA 1.429 -1.499 0 N-CA-C 107.693 -1.225 . . . . 0.0 107.693 178.66 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 55.6 t-80 -77.06 89.59 3.59 Favored 'General case' 0 C--N 1.3 -1.58 0 N-CA-C 109.238 -0.653 . . . . 0.0 109.238 -179.249 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 19.7 p80 -76.94 124.76 28.23 Favored 'General case' 0 C--N 1.295 -1.78 0 CA-C-N 115.246 -0.888 . . . . 0.0 111.775 -179.617 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 50.0 m80 -96.36 -11.62 25.52 Favored 'General case' 0 C--N 1.301 -1.51 0 N-CA-C 106.64 -1.615 . . . . 0.0 106.64 175.384 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 53.0 t60 -77.01 93.69 3.87 Favored 'General case' 0 N--CA 1.431 -1.395 0 CA-C-N 113.555 -1.657 . . . . 0.0 108.454 176.228 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 35.0 m80 . . . . . 0 N--CA 1.411 -2.387 0 N-CA-C 108.225 -1.028 . . . . 0.0 108.225 178.473 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.6 ptt? . . . . . 0 CA--C 1.515 -0.376 0 N-CA-C 109.3 -0.63 . . . . 0.0 109.3 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . 0.482 ' O ' ' HG3' ' A' ' 5' ' ' LYS . 50.7 m-80 -112.29 114.28 26.96 Favored 'General case' 0 CA--C 1.505 -0.777 0 C-N-CA 120.96 -0.296 . . . . 0.0 110.633 179.371 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 35.8 m -74.0 -24.36 19.38 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.964 0 CA-C-O 121.203 0.525 . . . . 0.0 111.21 179.219 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 8.5 t -65.4 -28.49 69.29 Favored 'General case' 0 CA--C 1.549 0.938 0 CA-C-N 115.943 -0.571 . . . . 0.0 111.882 -176.794 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.482 ' HG3' ' O ' ' A' ' 2' ' ' ASN . 0.0 OUTLIER -72.82 -28.69 62.71 Favored 'General case' 0 C--O 1.22 -0.452 0 CA-C-O 121.741 0.781 . . . . 0.0 110.101 179.958 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.418 ' O ' HG13 ' A' ' 10' ' ' ILE . 36.6 tp -72.71 -42.0 64.64 Favored 'General case' 0 N--CA 1.442 -0.875 0 CA-C-N 115.168 -0.924 . . . . 0.0 108.602 178.438 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 8.5 t30 -66.67 -31.72 72.57 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.546 -0.752 . . . . 0.0 110.082 179.533 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 14.6 t70 -66.82 -41.1 88.03 Favored 'General case' 0 N--CA 1.473 0.705 0 CA-C-N 115.569 -0.742 . . . . 0.0 110.07 175.697 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . 0.459 ' HG3' ' O ' ' A' ' 5' ' ' LYS . 77.1 mtp180 -67.16 -35.73 80.3 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.351 178.044 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.418 HG13 ' O ' ' A' ' 6' ' ' LEU . 70.1 mt -58.29 -40.91 79.67 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.751 0 N-CA-C 109.475 -0.565 . . . . 0.0 109.475 174.54 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . 0.488 ' HA ' ' HD3' ' A' ' 14' ' ' LYS . 5.6 tp10 -58.77 -42.55 89.23 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.316 -178.379 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -69.05 -34.01 74.51 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.894 179.549 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 32.6 mmmt -75.37 -35.57 61.07 Favored 'General case' 0 C--N 1.318 -0.803 0 CA-C-N 115.994 -0.548 . . . . 0.0 111.231 179.914 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.488 ' HD3' ' HA ' ' A' ' 11' ' ' GLU . 50.1 mtpt -60.14 -53.28 59.64 Favored 'General case' 0 C--N 1.327 -0.376 0 C-N-CA 122.946 0.498 . . . . 0.0 110.197 177.012 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 57.0 mtpt -62.17 -39.44 92.65 Favored 'General case' 0 C--O 1.243 0.713 0 CA-C-N 115.861 -0.609 . . . . 0.0 111.014 -178.171 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.446 ' O ' ' HG ' ' A' ' 20' ' ' LEU . 44.0 tt0 -61.71 -49.32 76.94 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.417 -0.81 . . . . 0.0 110.043 177.942 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.508 ' O ' HG23 ' A' ' 21' ' ' VAL . 56.9 tp -62.01 -45.96 91.31 Favored 'General case' 0 N--CA 1.443 -0.817 0 CA-C-N 115.779 -0.646 . . . . 0.0 110.7 -179.367 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.457 HG13 ' O ' ' A' ' 14' ' ' LYS . 88.3 mt -54.1 -45.76 66.02 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.864 0 O-C-N 123.293 0.371 . . . . 0.0 110.533 178.723 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 86.9 t80 -60.47 -43.37 96.99 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.209 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.446 ' HG ' ' O ' ' A' ' 16' ' ' GLU . 68.0 mt -72.17 -34.54 68.54 Favored 'General case' 0 C--N 1.31 -1.126 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.815 -178.343 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.508 HG23 ' O ' ' A' ' 17' ' ' LEU . 79.3 t -66.39 -36.99 78.68 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.832 0 N-CA-C 109.53 -0.544 . . . . 0.0 109.53 176.717 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 11.0 mm-40 -68.8 -49.32 59.51 Favored 'General case' 0 C--N 1.317 -0.828 0 N-CA-C 112.741 0.645 . . . . 0.0 112.741 175.814 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 75.2 mmtt -82.0 -48.53 11.33 Favored 'General case' 0 C--N 1.319 -0.744 0 N-CA-C 113.328 0.862 . . . . 0.0 113.328 -174.227 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 24.7 m-85 -87.96 -45.82 9.9 Favored 'General case' 0 C--N 1.31 -1.124 0 CA-C-O 121.558 0.694 . . . . 0.0 110.13 -176.884 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 109.44 168.52 20.3 Favored Glycine 0 N--CA 1.434 -1.482 0 CA-C-N 115.327 -0.851 . . . . 0.0 111.4 -179.919 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 37.3 p90 -85.33 166.43 16.46 Favored 'General case' 0 C--N 1.302 -1.459 0 O-C-N 122.93 -0.159 . . . . 0.0 110.715 -179.598 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 5.1 m 64.64 25.84 13.13 Favored 'General case' 0 CA--C 1.565 1.552 0 CA-C-O 122.577 1.18 . . . . 0.0 110.803 -179.654 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 61.2 t60 -105.76 137.17 44.08 Favored 'General case' 0 C--N 1.316 -0.884 0 N-CA-C 107.0 -1.481 . . . . 0.0 107.0 176.045 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 58.5 m80 -50.35 -45.26 54.94 Favored 'General case' 0 N--CA 1.491 1.606 0 N-CA-C 114.292 1.219 . . . . 0.0 114.292 -173.635 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 67.6 mttm -61.41 -52.39 64.76 Favored 'General case' 0 C--N 1.33 -0.266 0 N-CA-C 109.503 -0.554 . . . . 0.0 109.503 178.36 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 92.1 t -56.86 -40.1 69.24 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.637 0 CA-C-N 115.511 -0.768 . . . . 0.0 111.448 -178.457 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 79.3 mt -62.04 -42.49 95.15 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.628 0 CA-C-O 120.953 0.406 . . . . 0.0 110.212 177.391 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 27.7 m -63.33 -42.04 98.94 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.969 179.135 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . 0.436 ' HB2' HD13 ' A' ' 17' ' ' LEU . 89.8 m-85 -65.97 -37.54 86.24 Favored 'General case' 0 C--O 1.223 -0.326 0 CA-C-O 120.691 0.281 . . . . 0.0 110.872 177.079 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 43.4 m -62.93 -38.44 91.01 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-O 121.152 0.501 . . . . 0.0 110.015 178.259 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 49.2 mt-30 -63.92 -36.28 83.43 Favored 'General case' 0 N--CA 1.454 -0.249 0 CA-C-N 115.693 -0.685 . . . . 0.0 110.33 175.377 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 41.0 mt-10 -62.65 -50.59 70.6 Favored 'General case' 0 C--O 1.219 -0.521 0 N-CA-C 110.399 -0.223 . . . . 0.0 110.399 176.615 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -57.39 -48.3 79.42 Favored 'General case' 0 CA--C 1.514 -0.41 0 N-CA-C 112.563 0.579 . . . . 0.0 112.563 -179.816 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 25.8 t70 -59.52 -46.07 89.91 Favored 'General case' 0 C--O 1.242 0.667 0 O-C-N 123.511 0.507 . . . . 0.0 111.556 179.91 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . 0.545 ' O ' ' HG ' ' A' ' 44' ' ' LEU . 90.6 mtm180 -66.82 -46.16 76.02 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-N 115.977 -0.556 . . . . 0.0 111.903 -179.226 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 10.9 mp -63.6 -41.38 98.34 Favored 'General case' 0 C--O 1.219 -0.524 0 N-CA-C 111.695 0.257 . . . . 0.0 111.695 179.159 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 66.5 tp -58.71 -45.99 88.33 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 121.525 0.678 . . . . 0.0 110.083 176.709 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 33.2 m-80 -70.73 -16.95 62.82 Favored 'General case' 0 C--N 1.317 -0.812 0 N-CA-C 113.198 0.814 . . . . 0.0 113.198 -179.602 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.545 ' HG ' ' O ' ' A' ' 40' ' ' ARG . 69.1 mt -65.44 -32.19 73.69 Favored 'General case' 0 C--N 1.322 -0.623 0 N-CA-C 111.562 0.208 . . . . 0.0 111.562 176.595 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 7.0 mp -68.61 -37.04 79.46 Favored 'General case' 0 C--O 1.242 0.707 0 CA-C-O 121.478 0.656 . . . . 0.0 109.665 177.074 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 2.0 mp -71.15 -38.07 69.34 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.815 0 CA-C-N 114.831 -1.077 . . . . 0.0 109.476 178.268 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . 0.486 ' HB3' ' O ' ' A' ' 44' ' ' LEU . 20.5 tp10 -51.45 -55.72 17.25 Favored 'General case' 0 C--N 1.325 -0.482 0 C-N-CA 125.569 1.548 . . . . 0.0 111.58 -179.111 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.411 HD13 ' HD3' ' A' ' 51' ' ' LYS . 4.0 mm? -66.68 -41.43 88.14 Favored 'General case' 0 C--N 1.321 -0.668 0 N-CA-C 113.92 1.081 . . . . 0.0 113.92 -174.905 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 59.5 tttm -71.93 -37.02 70.1 Favored 'General case' 0 C--N 1.316 -0.848 0 C-N-CA 120.272 -0.571 . . . . 0.0 111.586 -177.282 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 20.2 m -77.99 -31.21 50.58 Favored 'General case' 0 C--N 1.306 -1.307 0 N-CA-C 112.336 0.495 . . . . 0.0 112.336 -174.693 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . 0.411 ' HD3' HD13 ' A' ' 48' ' ' LEU . 12.3 ptmt -73.95 -35.36 64.53 Favored 'General case' 0 N--CA 1.439 -1.008 0 C-N-CA 120.377 -0.529 . . . . 0.0 111.733 -178.102 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . 0.436 ' CB ' HD22 ' A' ' 57' ' ' LEU . 19.5 ptpt 53.09 7.85 0.09 Allowed 'General case' 0 N--CA 1.512 2.667 0 C-N-CA 126.576 1.95 . . . . 0.0 114.494 177.321 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -89.6 3.16 53.44 Favored 'General case' 0 C--N 1.312 -1.054 0 CA-C-O 121.544 0.688 . . . . 0.0 111.28 -177.642 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . 0.445 ' HD3' ' HA ' ' A' ' 54' ' ' ARG . 34.2 mmt180 -87.21 136.94 32.74 Favored 'General case' 0 N--CA 1.436 -1.147 0 CA-C-N 115.715 -0.675 . . . . 0.0 110.117 174.374 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' TYR . . . . . 0.546 ' O ' ' HG3' ' A' ' 59' ' ' GLU . 31.0 m-85 -39.07 -43.38 1.01 Allowed 'General case' 0 C--N 1.321 -0.662 0 C-N-CA 127.147 2.179 . . . . 0.0 113.595 -172.169 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 13.7 m -50.67 -35.45 30.92 Favored 'General case' 0 CA--C 1.548 0.895 0 C-N-CA 124.154 0.982 . . . . 0.0 113.196 -176.782 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.436 HD22 ' CB ' ' A' ' 52' ' ' LYS . 5.1 mp -84.53 -22.29 30.21 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.057 0.456 . . . . 0.0 111.228 -177.372 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -86.99 -17.27 33.43 Favored 'General case' 0 C--N 1.32 -0.705 0 N-CA-C 109.835 -0.431 . . . . 0.0 109.835 -179.502 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . 0.546 ' HG3' ' O ' ' A' ' 55' ' ' TYR . 44.6 mt-10 -70.75 -10.53 59.68 Favored 'General case' 0 C--O 1.24 0.564 0 CA-C-N 115.62 -0.718 . . . . 0.0 112.055 -179.88 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 36.5 m80 -93.06 94.44 8.87 Favored 'General case' 0 C--N 1.314 -0.977 0 N-CA-C 107.498 -1.297 . . . . 0.0 107.498 173.708 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 29.0 m-70 -80.41 170.05 16.9 Favored 'General case' 0 C--N 1.304 -1.379 0 CA-C-N 115.458 -0.792 . . . . 0.0 112.049 -175.317 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 97.1 m-70 74.32 166.27 0.29 Allowed 'General case' 0 C--O 1.245 0.823 0 C-N-CA 124.857 1.263 . . . . 0.0 112.194 -179.543 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 55.4 m80 -102.64 17.17 24.4 Favored 'General case' 0 C--N 1.301 -1.536 0 CA-C-N 114.926 -1.034 . . . . 0.0 108.447 -178.854 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 62.5 t60 . . . . . 0 C--N 1.283 -2.312 0 N-CA-C 106.939 -1.504 . . . . 0.0 106.939 179.76 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 25.8 ttt . . . . . 0 N--CA 1.456 -0.158 0 CA-C-O 119.505 -0.283 . . . . 0.0 111.636 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . 0.428 ' O ' ' HG2' ' A' ' 5' ' ' LYS . 93.2 m-20 -54.82 107.6 0.31 Allowed 'General case' 0 N--CA 1.48 1.073 0 N-CA-C 113.23 0.826 . . . . 0.0 113.23 -176.142 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 27.3 m -73.6 -15.84 17.04 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.69 0 C-N-CA 123.307 0.643 . . . . 0.0 112.59 -179.792 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 13.8 t -60.58 -26.75 67.19 Favored 'General case' 0 CA--C 1.559 1.325 0 CA-C-N 115.855 -0.611 . . . . 0.0 112.205 -176.64 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.428 ' HG2' ' O ' ' A' ' 2' ' ' ASN . 22.7 pttp -64.57 -37.3 87.09 Favored 'General case' 0 N--CA 1.466 0.363 0 CA-C-O 120.619 0.247 . . . . 0.0 111.274 177.629 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.506 ' O ' HG13 ' A' ' 10' ' ' ILE . 51.5 tp -69.84 -43.07 72.72 Favored 'General case' 0 N--CA 1.446 -0.654 0 N-CA-C 109.046 -0.724 . . . . 0.0 109.046 -178.861 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 25.7 t-20 -56.83 -40.61 76.37 Favored 'General case' 0 C--O 1.238 0.463 0 CA-C-N 115.144 -0.935 . . . . 0.0 110.562 179.448 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 23.4 t70 -70.56 -42.54 70.98 Favored 'General case' 0 N--CA 1.47 0.542 0 CA-C-N 115.308 -0.86 . . . . 0.0 111.829 -179.557 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -65.28 -29.75 70.54 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.517 -179.567 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.506 HG13 ' O ' ' A' ' 6' ' ' LEU . 99.6 mt -63.35 -52.84 53.25 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 N-CA-C 109.099 -0.704 . . . . 0.0 109.099 173.906 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . 0.419 ' O ' ' HG3' ' A' ' 15' ' ' LYS . 45.8 mm-40 -59.56 -41.97 91.37 Favored 'General case' 0 CA--C 1.508 -0.67 0 CA-C-N 115.936 -0.575 . . . . 0.0 111.903 -178.593 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -62.15 -37.62 85.89 Favored 'General case' 0 C--N 1.311 -1.104 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.887 177.467 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.409 ' HE3' ' HA ' ' A' ' 13' ' ' LYS . 2.2 tpmt? -68.82 -44.1 74.22 Favored 'General case' 0 N--CA 1.463 0.201 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.22 -177.885 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.499 ' O ' HG13 ' A' ' 18' ' ' ILE . 8.4 ptmm? -70.03 -33.43 71.98 Favored 'General case' 0 C--N 1.318 -0.789 0 N-CA-C 112.436 0.532 . . . . 0.0 112.436 179.318 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.419 ' HG3' ' O ' ' A' ' 11' ' ' GLU . 55.2 mtpt -65.47 -40.69 93.45 Favored 'General case' 0 C--O 1.242 0.673 0 C-N-CA 120.648 -0.421 . . . . 0.0 110.325 175.602 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.423 ' O ' ' HG ' ' A' ' 20' ' ' LEU . 17.5 tp10 -60.95 -47.12 87.91 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 108.398 -0.964 . . . . 0.0 108.398 175.468 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.508 ' O ' HG23 ' A' ' 21' ' ' VAL . 47.6 tp -60.09 -42.08 93.85 Favored 'General case' 0 C--O 1.221 -0.403 0 CA-C-N 115.381 -0.827 . . . . 0.0 111.772 -179.31 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.499 HG13 ' O ' ' A' ' 14' ' ' LYS . 77.9 mt -53.77 -46.73 63.02 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.903 0 CA-C-O 121.249 0.547 . . . . 0.0 110.164 177.154 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 74.0 t80 -67.98 -39.06 83.38 Favored 'General case' 0 C--N 1.313 -1.017 0 CA-C-N 114.85 -1.068 . . . . 0.0 110.327 -179.311 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.423 ' HG ' ' O ' ' A' ' 16' ' ' GLU . 96.0 mt -65.71 -34.65 78.68 Favored 'General case' 0 C--N 1.314 -0.95 0 CA-C-N 115.937 -0.574 . . . . 0.0 112.0 179.141 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.508 HG23 ' O ' ' A' ' 17' ' ' LEU . 54.7 t -66.86 -33.14 61.47 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.802 0 CA-C-O 121.561 0.696 . . . . 0.0 109.27 175.575 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -68.84 -37.76 79.37 Favored 'General case' 0 C--N 1.3 -1.558 0 O-C-N 121.689 -0.632 . . . . 0.0 111.545 175.723 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 32.0 mmmt -82.05 -48.38 11.46 Favored 'General case' 0 C--N 1.321 -0.672 0 N-CA-C 112.773 0.657 . . . . 0.0 112.773 -177.187 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 59.8 m-85 -90.7 -47.29 7.74 Favored 'General case' 0 C--N 1.313 -1.004 0 CA-C-O 121.247 0.546 . . . . 0.0 110.405 -179.532 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . 0.489 ' HA2' ' O ' ' A' ' 21' ' ' VAL . . . 98.56 -123.63 7.94 Favored Glycine 0 C--N 1.293 -1.853 0 CA-C-N 115.736 -0.665 . . . . 0.0 111.735 -178.601 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 72.5 m-85 -119.31 -178.18 3.53 Favored 'General case' 0 C--N 1.292 -1.916 0 N-CA-C 108.241 -1.022 . . . . 0.0 108.241 -178.637 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 77.7 p 57.13 13.07 1.47 Allowed 'General case' 0 N--CA 1.476 0.851 0 C-N-CA 125.764 1.626 . . . . 0.0 114.12 -178.608 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 47.4 m80 -102.66 117.52 34.84 Favored 'General case' 0 CA--C 1.486 -1.484 0 O-C-N 122.223 -0.298 . . . . 0.0 110.736 -177.847 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 63.7 m80 -60.85 -26.33 67.3 Favored 'General case' 0 C--N 1.316 -0.884 0 CA-C-N 115.567 -0.742 . . . . 0.0 111.492 179.789 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 46.2 mtpt -60.97 -49.14 78.66 Favored 'General case' 0 C--O 1.216 -0.679 0 N-CA-C 109.561 -0.533 . . . . 0.0 109.561 174.655 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 59.6 t -66.37 -38.69 82.34 Favored 'Isoleucine or valine' 0 C--O 1.24 0.568 0 CA-C-N 115.97 -0.559 . . . . 0.0 109.821 -178.713 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 70.2 mt -60.3 -44.69 96.31 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.636 0 CA-C-N 115.745 -0.661 . . . . 0.0 110.582 177.591 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 11.3 p -70.27 -36.38 74.39 Favored 'General case' 0 N--CA 1.446 -0.63 0 N-CA-C 112.132 0.419 . . . . 0.0 112.132 178.737 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 25.6 m-85 -64.2 -37.01 85.94 Favored 'General case' 0 N--CA 1.471 0.599 0 CA-C-O 120.914 0.388 . . . . 0.0 110.113 176.295 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 58.8 m -63.45 -43.08 98.39 Favored 'General case' 0 N--CA 1.447 -0.592 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.347 176.911 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 49.4 mt-30 -64.24 -32.05 73.48 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.079 -0.51 . . . . 0.0 111.089 179.017 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . 0.47 ' O ' ' HG ' ' A' ' 41' ' ' LEU . 20.3 mm-40 -69.32 -50.03 50.33 Favored 'General case' 0 C--N 1.32 -0.701 0 N-CA-C 110.065 -0.346 . . . . 0.0 110.065 174.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -59.58 -48.19 82.61 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.914 -179.074 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 34.5 t70 -60.39 -40.97 92.8 Favored 'General case' 0 C--N 1.318 -0.802 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.841 -178.81 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . 0.474 ' O ' ' HG ' ' A' ' 44' ' ' LEU . 30.8 tpt180 -69.32 -38.36 78.19 Favored 'General case' 0 CA--C 1.537 0.444 0 CA-C-N 116.41 -0.359 . . . . 0.0 111.09 178.021 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.47 ' HG ' ' O ' ' A' ' 37' ' ' GLU . 94.8 mt -62.12 -43.44 98.82 Favored 'General case' 0 N--CA 1.468 0.474 0 CA-C-O 120.742 0.306 . . . . 0.0 110.26 177.426 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.4 ' HA ' HD13 ' A' ' 10' ' ' ILE . 56.6 tp -63.64 -41.17 98.27 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 121.866 0.841 . . . . 0.0 109.509 176.582 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 20.3 t-20 -65.73 -27.03 68.02 Favored 'General case' 0 C--N 1.308 -1.215 0 CA-C-N 114.512 -1.222 . . . . 0.0 111.317 -178.613 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.474 ' HG ' ' O ' ' A' ' 40' ' ' ARG . 84.4 mt -59.44 -37.01 77.01 Favored 'General case' 0 N--CA 1.466 0.346 0 C-N-CA 122.594 0.358 . . . . 0.0 111.283 177.672 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 90.6 mt -63.65 -50.91 67.42 Favored 'General case' 0 CA--C 1.513 -0.475 0 N-CA-C 108.999 -0.741 . . . . 0.0 108.999 177.947 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 67.5 mt -58.69 -49.63 81.96 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.673 0 CA-C-N 114.729 -1.123 . . . . 0.0 110.11 -178.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 43.2 tt0 -56.97 -48.73 77.69 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.704 -0.68 . . . . 0.0 110.709 179.192 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 2.2 tm? -65.54 -43.7 89.16 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.362 -176.685 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 30.1 mtpp -69.95 -27.9 65.13 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 120.68 0.276 . . . . 0.0 111.706 -179.387 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 36.9 m -73.46 -46.57 47.54 Favored 'General case' 0 C--O 1.248 1.019 0 N-CA-C 109.223 -0.658 . . . . 0.0 109.223 176.109 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 64.5 mttm -64.34 -60.33 3.3 Favored 'General case' 0 N--CA 1.439 -1.019 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.662 179.451 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 18.2 pttm 39.1 32.57 0.07 Allowed 'General case' 0 N--CA 1.505 2.301 0 C-N-CA 126.087 1.755 . . . . 0.0 113.044 179.555 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -95.31 5.39 51.82 Favored 'General case' 0 N--CA 1.417 -2.091 0 CA-C-N 114.628 -1.169 . . . . 0.0 110.977 -174.506 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 93.4 mtt180 -86.07 131.88 34.17 Favored 'General case' 0 N--CA 1.419 -2.021 0 N-CA-C 102.757 -3.053 . . . . 0.0 102.757 169.654 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 91.2 m-85 -80.76 11.71 3.69 Favored 'General case' 0 C--N 1.292 -1.925 0 N-CA-C 114.241 1.2 . . . . 0.0 114.241 -168.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 11.4 p -61.85 -37.54 84.87 Favored 'General case' 0 N--CA 1.424 -1.774 0 CA-C-N 114.777 -1.101 . . . . 0.0 109.708 173.941 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -69.58 -16.25 63.37 Favored 'General case' 0 C--O 1.221 -0.41 0 CA-C-N 115.677 -0.692 . . . . 0.0 111.547 179.479 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 6.9 mp -95.92 -47.14 6.25 Favored 'General case' 0 C--N 1.314 -0.954 0 C-N-CA 120.715 -0.394 . . . . 0.0 110.438 179.438 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -64.82 -34.89 79.43 Favored 'General case' 0 N--CA 1.47 0.525 0 CA-C-O 122.276 1.036 . . . . 0.0 110.359 -179.52 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 70.2 m80 -120.01 44.8 2.33 Favored 'General case' 0 C--N 1.284 -2.252 0 CA-C-N 114.365 -1.289 . . . . 0.0 108.754 -178.256 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 21.5 p-80 -53.29 129.51 31.91 Favored 'General case' 0 C--O 1.242 0.691 0 CA-C-N 115.115 -0.948 . . . . 0.0 111.442 179.522 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 9.0 t60 -89.72 73.36 7.62 Favored 'General case' 0 N--CA 1.427 -1.617 0 CA-C-O 121.805 0.812 . . . . 0.0 109.505 -173.661 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 16.5 t60 -128.8 73.02 1.48 Allowed 'General case' 0 C--N 1.3 -1.587 0 N-CA-C 106.892 -1.521 . . . . 0.0 106.892 179.813 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 11.9 t60 . . . . . 0 N--CA 1.429 -1.519 0 CA-C-N 114.719 -1.128 . . . . 0.0 108.424 -175.431 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 85.6 mtp . . . . . 0 CA--C 1.502 -0.897 0 N-CA-C 109.32 -0.622 . . . . 0.0 109.32 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . 0.556 ' HB3' HG22 ' A' ' 4' ' ' THR . 3.8 m-20 57.41 112.28 0.01 OUTLIER 'General case' 0 N--CA 1.484 1.246 0 N-CA-C 115.348 1.61 . . . . 0.0 115.348 170.72 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 29.5 m -64.56 -14.83 16.62 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.694 0 N-CA-C 112.973 0.731 . . . . 0.0 112.973 -178.964 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . 0.556 HG22 ' HB3' ' A' ' 2' ' ' ASN . 11.9 t -59.39 -28.91 67.31 Favored 'General case' 0 C--N 1.313 -1.012 0 O-C-N 122.218 -0.301 . . . . 0.0 111.613 178.685 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.406 ' HG2' ' O ' ' A' ' 2' ' ' ASN . 15.3 ptmm? -67.81 -28.65 67.76 Favored 'General case' 0 N--CA 1.47 0.558 0 CA-C-O 121.478 0.656 . . . . 0.0 110.508 179.65 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.436 ' O ' HG13 ' A' ' 10' ' ' ILE . 30.2 tp -75.55 -31.37 60.03 Favored 'General case' 0 N--CA 1.441 -0.915 0 N-CA-C 108.336 -0.987 . . . . 0.0 108.336 178.389 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 32.6 m-80 -68.54 -33.08 73.48 Favored 'General case' 0 CA--C 1.508 -0.668 0 CA-C-N 115.486 -0.779 . . . . 0.0 110.329 177.062 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 16.5 t70 -58.15 -43.25 87.27 Favored 'General case' 0 C--O 1.239 0.537 0 N-CA-C 108.707 -0.849 . . . . 0.0 108.707 174.673 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . 0.438 ' O ' ' HG2' ' A' ' 13' ' ' LYS . 96.9 mtt180 -65.46 -42.96 91.76 Favored 'General case' 0 C--O 1.205 -1.262 0 CA-C-N 115.29 -0.868 . . . . 0.0 111.27 175.115 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.436 HG13 ' O ' ' A' ' 6' ' ' LEU . 68.3 mt -55.31 -53.39 35.89 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.594 0 O-C-N 123.18 0.3 . . . . 0.0 110.469 179.85 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 65.1 mm-40 -56.32 -43.85 79.38 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 123.603 0.565 . . . . 0.0 110.954 177.166 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -64.26 -38.47 91.16 Favored 'General case' 0 C--N 1.315 -0.906 0 CA-C-N 115.778 -0.646 . . . . 0.0 111.544 -179.56 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.448 ' HG3' HD11 ' A' ' 41' ' ' LEU . 3.6 mmmp? -74.98 -30.7 61.26 Favored 'General case' 0 C--O 1.215 -0.723 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.537 -177.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.443 ' O ' HG13 ' A' ' 18' ' ' ILE . 26.9 mtpp -66.55 -45.85 78.03 Favored 'General case' 0 C--N 1.318 -0.799 0 CA-C-N 116.171 -0.468 . . . . 0.0 109.976 174.474 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 60.7 mtpt -64.19 -37.2 86.6 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 121.343 0.592 . . . . 0.0 110.016 177.338 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 36.0 tt0 -62.86 -46.91 85.67 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 115.404 -0.817 . . . . 0.0 109.354 175.471 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.455 ' O ' HG23 ' A' ' 21' ' ' VAL . 1.2 tt -59.15 -45.91 89.73 Favored 'General case' 0 C--N 1.324 -0.52 0 C-N-CA 123.896 0.878 . . . . 0.0 109.526 -178.853 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.443 HG13 ' O ' ' A' ' 14' ' ' LYS . 82.3 mt -57.13 -47.55 83.68 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.63 0 CA-C-O 120.897 0.38 . . . . 0.0 110.052 177.625 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 73.1 t80 -59.78 -43.66 94.26 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.75 -0.659 . . . . 0.0 110.373 177.18 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 95.6 mt -61.86 -40.44 95.35 Favored 'General case' 0 C--N 1.316 -0.886 0 CA-C-N 115.862 -0.608 . . . . 0.0 111.675 178.632 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.455 HG23 ' O ' ' A' ' 17' ' ' LEU . 77.6 t -63.14 -40.55 89.48 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.564 0 N-CA-C 109.734 -0.469 . . . . 0.0 109.734 176.595 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 57.0 mm-40 -61.2 -35.27 76.71 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.035 -0.529 . . . . 0.0 111.537 176.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 13.6 mmmm -81.79 -48.72 11.25 Favored 'General case' 0 C--N 1.314 -0.945 0 CA-C-O 120.868 0.366 . . . . 0.0 111.132 -178.484 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . 0.463 ' HB3' ' NE2' ' A' ' 28' ' ' HIS . 68.5 m-85 -77.39 -43.39 32.85 Favored 'General case' 0 C--N 1.306 -1.308 0 N-CA-C 113.33 0.863 . . . . 0.0 113.33 -174.505 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 128.94 -97.04 0.41 Allowed Glycine 0 N--CA 1.433 -1.52 0 C-N-CA 120.294 -0.955 . . . . 0.0 113.168 177.716 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 78.3 m-85 -117.99 -173.87 2.53 Favored 'General case' 0 C--N 1.3 -1.585 0 O-C-N 122.526 -0.396 . . . . 0.0 111.581 -177.055 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 1.8 m -79.7 68.78 5.86 Favored 'General case' 0 N--CA 1.432 -1.338 0 CA-C-O 121.695 0.76 . . . . 0.0 112.64 -170.582 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . 0.559 ' O ' HG12 ' A' ' 32' ' ' ILE . 2.0 p-80 -92.03 -176.86 4.53 Favored 'General case' 0 C--N 1.293 -1.869 0 CA-C-N 115.14 -0.936 . . . . 0.0 109.542 173.754 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 70.9 t60 -52.72 -40.36 62.94 Favored 'General case' 0 C--O 1.248 0.979 0 N-CA-C 113.583 0.957 . . . . 0.0 113.583 -174.066 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 49.6 mmtm -55.53 -52.76 62.64 Favored 'General case' 0 N--CA 1.47 0.527 0 N-CA-C 110.099 -0.334 . . . . 0.0 110.099 177.305 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 72.0 t -64.14 -36.69 77.77 Favored 'Isoleucine or valine' 0 C--O 1.241 0.616 0 CA-C-N 115.775 -0.648 . . . . 0.0 111.249 -178.173 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.559 HG12 ' O ' ' A' ' 28' ' ' HIS . 42.4 mm -58.79 -50.86 77.86 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.856 0 N-CA-C 108.744 -0.836 . . . . 0.0 108.744 177.009 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 35.6 m -58.22 -41.01 83.15 Favored 'General case' 0 C--N 1.308 -1.223 0 CA-C-N 114.472 -1.24 . . . . 0.0 112.029 179.361 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 19.6 m-85 -68.94 -32.28 71.78 Favored 'General case' 0 C--O 1.239 0.546 0 CA-C-O 121.198 0.523 . . . . 0.0 110.238 179.79 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . 0.445 ' HA ' HD11 ' A' ' 17' ' ' LEU . 27.8 m -71.92 -41.7 67.58 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-N 115.659 -0.7 . . . . 0.0 110.34 179.395 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 80.4 mt-30 -66.42 -31.46 72.23 Favored 'General case' 0 N--CA 1.463 0.187 0 CA-C-N 116.472 -0.331 . . . . 0.0 111.174 177.927 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . 0.478 ' O ' ' HG ' ' A' ' 41' ' ' LEU . 8.0 tp10 -60.42 -38.97 85.73 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 109.056 -0.72 . . . . 0.0 109.056 175.788 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.419 HD21 ' HG3' ' A' ' 14' ' ' LYS . 3.0 tm? -69.99 -43.57 71.17 Favored 'General case' 0 N--CA 1.438 -1.041 0 CA-C-N 115.455 -0.793 . . . . 0.0 109.875 -177.844 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 36.2 m-20 -62.75 -34.96 78.28 Favored 'General case' 0 N--CA 1.472 0.653 0 CA-C-O 120.89 0.376 . . . . 0.0 110.5 177.491 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 40.2 ttm180 -61.45 -40.3 93.98 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.516 -0.765 . . . . 0.0 110.334 176.834 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.478 ' HG ' ' O ' ' A' ' 37' ' ' GLU . 89.4 mt -65.63 -35.16 79.98 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-O 121.037 0.446 . . . . 0.0 110.377 178.702 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 67.0 tp -65.72 -41.52 92.16 Favored 'General case' 0 C--N 1.32 -0.707 0 N-CA-C 108.835 -0.802 . . . . 0.0 108.835 175.571 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 14.9 m120 -61.19 -30.5 70.46 Favored 'General case' 0 N--CA 1.471 0.615 0 CA-C-N 115.536 -0.757 . . . . 0.0 110.543 177.112 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.437 ' O ' ' HB3' ' A' ' 47' ' ' GLU . 82.3 mt -68.25 -31.36 70.79 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.536 178.042 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 95.3 mt -71.18 -35.88 71.75 Favored 'General case' 0 N--CA 1.472 0.649 0 CA-C-O 121.959 0.885 . . . . 0.0 109.201 174.773 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 76.5 mt -69.68 -26.16 30.13 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.867 0 CA-C-N 114.772 -1.104 . . . . 0.0 110.413 179.077 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . 0.437 ' HB3' ' O ' ' A' ' 44' ' ' LEU . 9.5 tp10 -54.88 -36.06 64.74 Favored 'General case' 0 CA--C 1.545 0.787 0 C-N-CA 123.868 0.867 . . . . 0.0 110.866 178.085 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -77.23 -47.56 19.87 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-O 121.394 0.616 . . . . 0.0 109.609 177.145 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 64.5 mttp -65.68 -26.99 68.03 Favored 'General case' 0 C--N 1.317 -0.834 0 N-CA-C 113.816 1.043 . . . . 0.0 113.816 -175.138 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 15.1 t -70.2 -27.28 64.37 Favored 'General case' 0 CA--C 1.548 0.872 0 CA-C-O 120.958 0.409 . . . . 0.0 109.925 177.335 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 91.8 mttt -88.79 -26.91 21.45 Favored 'General case' 0 N--CA 1.438 -1.053 0 N-CA-C 108.458 -0.941 . . . . 0.0 108.458 -179.932 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . 0.424 ' HB2' ' CD1' ' A' ' 57' ' ' LEU 0.264 64.3 pttt 64.51 -39.64 0.24 Allowed 'General case' 0 N--CA 1.491 1.616 0 C-N-CA 127.945 2.498 . . . . 0.0 114.785 176.741 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . 0.578 ' HG3' ' HG3' ' A' ' 54' ' ' ARG . 61.0 pttt -69.03 -29.27 67.39 Favored 'General case' 0 C--N 1.284 -2.24 0 C-N-CA 123.83 0.852 . . . . 0.0 111.751 179.548 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . 0.578 ' HG3' ' HG3' ' A' ' 53' ' ' LYS . 51.0 mtp85 -94.82 98.57 10.84 Favored 'General case' 0 CA--C 1.493 -1.213 0 CA-C-N 116.469 -0.332 . . . . 0.0 110.828 -174.445 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 47.3 t80 43.48 56.18 4.51 Favored 'General case' 0 N--CA 1.453 -0.275 0 O-C-N 125.188 1.555 . . . . 0.0 112.312 178.319 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 28.4 m -143.92 -40.06 0.29 Allowed 'General case' 0 C--N 1.306 -1.319 0 CA-C-N 114.742 -1.117 . . . . 0.0 109.849 176.023 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.424 ' CD1' ' HB2' ' A' ' 52' ' ' LYS . 89.9 mt -109.25 20.38 18.36 Favored 'General case' 0 N--CA 1.442 -0.827 0 CA-C-N 115.973 -0.558 . . . . 0.0 111.296 175.81 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 82.2 mt -90.83 -33.66 15.59 Favored 'General case' 0 C--N 1.31 -1.137 0 N-CA-C 105.546 -2.02 . . . . 0.0 105.546 174.713 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -115.12 -162.58 0.83 Allowed 'General case' 0 N--CA 1.413 -2.288 0 N-CA-C 105.715 -1.957 . . . . 0.0 105.715 171.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 63.8 m80 59.66 -171.33 0.13 Allowed 'General case' 0 C--N 1.317 -0.829 0 C-N-CA 123.814 0.846 . . . . 0.0 111.668 -178.367 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 9.1 t60 60.19 72.36 0.53 Allowed 'General case' 0 C--O 1.239 0.535 0 C-N-CA 123.511 0.724 . . . . 0.0 109.993 -178.942 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 82.0 m-70 66.75 9.82 7.02 Favored 'General case' 0 N--CA 1.474 0.769 0 C-N-CA 124.632 1.173 . . . . 0.0 112.782 178.64 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 31.8 t-80 -154.62 96.92 1.94 Allowed 'General case' 0 C--N 1.309 -1.164 0 CA-C-O 121.456 0.646 . . . . 0.0 111.113 -177.582 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 51.7 t-80 . . . . . 0 C--N 1.286 -2.157 0 N-CA-C 106.811 -1.551 . . . . 0.0 106.811 177.272 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 88.3 mtp . . . . . 0 CA--C 1.514 -0.433 0 N-CA-C 111.026 0.01 . . . . 0.0 111.026 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 16.7 m120 -72.23 93.64 1.49 Allowed 'General case' 0 CA--C 1.502 -0.868 0 CA-C-O 120.966 0.413 . . . . 0.0 110.884 -177.353 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 31.1 m -59.28 -33.78 51.93 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.016 0 CA-C-N 115.498 -0.773 . . . . 0.0 112.935 -177.491 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 13.3 t -67.78 -40.0 84.03 Favored 'General case' 0 N--CA 1.438 -1.056 0 C-N-CA 120.328 -0.549 . . . . 0.0 110.462 -179.648 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.405 ' HD2' ' HA ' ' A' ' 5' ' ' LYS . 28.9 mmmt -78.16 -27.64 48.12 Favored 'General case' 0 CA--C 1.506 -0.726 0 O-C-N 122.237 -0.289 . . . . 0.0 111.515 178.03 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.467 ' O ' HG13 ' A' ' 10' ' ' ILE . 29.4 tp -64.74 -49.34 71.17 Favored 'General case' 0 C--N 1.315 -0.909 0 N-CA-C 109.358 -0.608 . . . . 0.0 109.358 176.475 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 2.7 t-20 -61.55 -39.94 92.93 Favored 'General case' 0 C--O 1.238 0.488 0 CA-C-O 121.36 0.6 . . . . 0.0 109.825 177.552 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 25.8 t70 -61.08 -45.95 92.63 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-N 114.983 -1.008 . . . . 0.0 111.7 177.609 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . 0.454 ' O ' ' HG2' ' A' ' 13' ' ' LYS . 7.7 ptm180 -70.04 -26.77 64.19 Favored 'General case' 0 C--O 1.224 -0.284 0 C-N-CA 120.729 -0.388 . . . . 0.0 110.751 -179.212 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.467 HG13 ' O ' ' A' ' 6' ' ' LEU . 72.2 mt -64.05 -42.04 94.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 CA-C-O 120.889 0.376 . . . . 0.0 110.098 175.432 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 35.8 tt0 -62.8 -38.35 90.32 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-O 121.629 0.728 . . . . 0.0 109.224 178.139 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -66.87 -27.55 67.61 Favored 'General case' 0 C--N 1.317 -0.827 0 CA-C-N 115.038 -0.983 . . . . 0.0 111.136 178.651 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.454 ' HG2' ' O ' ' A' ' 9' ' ' ARG . 32.1 mmmt -72.5 -38.49 68.11 Favored 'General case' 0 CA--C 1.501 -0.916 0 N-CA-C 109.088 -0.708 . . . . 0.0 109.088 179.137 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.589 ' O ' HG13 ' A' ' 18' ' ' ILE . 63.4 mttm -59.7 -42.99 94.25 Favored 'General case' 0 C--N 1.312 -1.062 0 CA-C-N 115.397 -0.82 . . . . 0.0 110.655 177.754 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 14.3 mmmm -67.31 -27.67 67.35 Favored 'General case' 0 C--O 1.246 0.917 0 CA-C-O 121.435 0.636 . . . . 0.0 111.019 -179.107 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.53 ' O ' ' HG ' ' A' ' 20' ' ' LEU . 41.1 tt0 -71.9 -48.96 41.89 Favored 'General case' 0 C--N 1.31 -1.14 0 N-CA-C 107.455 -1.313 . . . . 0.0 107.455 179.671 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.414 ' O ' HG23 ' A' ' 21' ' ' VAL . 3.8 mm? -59.99 -46.64 88.8 Favored 'General case' 0 N--CA 1.443 -0.778 0 CA-C-N 114.494 -1.23 . . . . 0.0 112.421 177.352 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.589 HG13 ' O ' ' A' ' 14' ' ' LYS . 78.8 mt -53.13 -44.78 52.68 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.719 0 CA-C-O 120.778 0.323 . . . . 0.0 110.76 179.578 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 63.0 t80 -63.22 -46.03 88.88 Favored 'General case' 0 C--O 1.239 0.528 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.932 177.302 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.53 ' HG ' ' O ' ' A' ' 16' ' ' GLU . 87.0 mt -66.97 -39.04 87.13 Favored 'General case' 0 C--N 1.311 -1.084 0 CA-C-N 115.892 -0.594 . . . . 0.0 112.109 -176.206 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.414 HG23 ' O ' ' A' ' 17' ' ' LEU . 88.2 t -64.03 -36.1 75.74 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.671 0 CA-C-O 121.084 0.469 . . . . 0.0 110.643 178.78 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 53.7 mm-40 -68.85 -41.15 78.85 Favored 'General case' 0 C--N 1.314 -0.96 0 CA-C-O 121.107 0.48 . . . . 0.0 111.399 176.939 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 32.5 mmmt -82.53 -47.88 11.66 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 113.699 1.0 . . . . 0.0 113.699 -175.409 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 75.4 m-85 -104.02 -40.37 6.22 Favored 'General case' 0 C--N 1.308 -1.233 0 CA-C-O 121.418 0.628 . . . . 0.0 110.563 -175.36 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 116.02 -160.55 13.29 Favored Glycine 0 N--CA 1.428 -1.877 0 N-CA-C 110.396 -1.081 . . . . 0.0 110.396 -176.236 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 47.2 p90 -104.34 -5.47 21.74 Favored 'General case' 0 C--N 1.305 -1.329 0 CA-C-O 121.432 0.634 . . . . 0.0 110.077 179.791 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 27.6 m -113.18 80.96 1.42 Allowed 'General case' 0 N--CA 1.417 -2.076 0 CA-C-O 121.483 0.658 . . . . 0.0 109.302 179.721 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . 0.419 ' O ' HG22 ' A' ' 31' ' ' VAL . 7.0 t60 -157.65 141.51 15.84 Favored 'General case' 0 C--N 1.307 -1.257 0 N-CA-C 105.519 -2.03 . . . . 0.0 105.519 175.218 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 11.4 t-80 -63.16 -33.6 75.81 Favored 'General case' 0 C--N 1.326 -0.431 0 C-N-CA 119.328 -0.949 . . . . 0.0 112.115 -174.727 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 44.0 mmtm -50.72 -58.69 5.28 Favored 'General case' 0 N--CA 1.468 0.427 0 O-C-N 123.244 0.34 . . . . 0.0 110.979 174.027 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.439 HG12 ' HB3' ' A' ' 20' ' ' LEU . 22.4 m -62.16 -36.39 74.09 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.261 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.927 -175.684 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 72.6 mt -67.76 -38.29 80.0 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.728 0 CA-C-O 121.19 0.519 . . . . 0.0 109.998 178.875 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 49.2 m -65.92 -45.46 81.84 Favored 'General case' 0 C--N 1.315 -0.917 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.308 178.716 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 61.0 m-85 -68.55 -33.96 75.01 Favored 'General case' 0 CA--C 1.534 0.359 0 CA-C-O 120.728 0.299 . . . . 0.0 110.843 179.059 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 60.1 m -64.27 -36.4 83.97 Favored 'General case' 0 CA--C 1.534 0.331 0 CA-C-O 120.662 0.268 . . . . 0.0 110.561 177.231 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 48.5 mt-30 -63.52 -34.56 78.05 Favored 'General case' 0 C--O 1.235 0.323 0 CA-C-N 116.473 -0.331 . . . . 0.0 111.04 176.217 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -69.5 -44.54 70.86 Favored 'General case' 0 C--O 1.213 -0.857 0 N-CA-C 109.507 -0.553 . . . . 0.0 109.507 176.926 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -56.45 -47.95 78.06 Favored 'General case' 0 N--CA 1.467 0.412 0 N-CA-C 108.78 -0.822 . . . . 0.0 108.78 178.611 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 16.1 t70 -57.51 -49.3 76.77 Favored 'General case' 0 C--N 1.318 -0.775 0 C-N-CA 124.402 1.081 . . . . 0.0 110.924 177.927 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . 0.441 ' O ' ' HG ' ' A' ' 44' ' ' LEU . 38.4 ttm180 -64.58 -46.51 82.4 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 115.15 -0.932 . . . . 0.0 110.804 -177.097 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 10.5 mp -66.99 -36.06 81.34 Favored 'General case' 0 C--N 1.316 -0.851 0 CA-C-N 116.161 -0.472 . . . . 0.0 112.123 -178.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 40.5 tp -61.52 -43.87 98.08 Favored 'General case' 0 C--O 1.244 0.793 0 CA-C-O 121.555 0.693 . . . . 0.0 109.277 175.789 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 3.9 t-20 -62.77 -36.1 81.97 Favored 'General case' 0 C--N 1.317 -0.805 0 CA-C-N 114.828 -1.078 . . . . 0.0 110.448 179.706 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.441 ' HG ' ' O ' ' A' ' 40' ' ' ARG . 86.0 mt -58.78 -42.65 89.5 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.02 -0.536 . . . . 0.0 111.155 177.214 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 67.8 mt -59.85 -42.9 94.65 Favored 'General case' 0 CA--C 1.51 -0.566 0 CA-C-O 120.788 0.328 . . . . 0.0 110.63 177.494 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 71.0 mt -59.4 -50.73 78.8 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.5 0 CA-C-N 115.555 -0.748 . . . . 0.0 109.983 179.911 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 50.0 mt-10 -62.9 -50.51 70.6 Favored 'General case' 0 C--N 1.321 -0.646 0 N-CA-C 112.663 0.616 . . . . 0.0 112.663 -179.696 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -62.94 -40.8 98.75 Favored 'General case' 0 C--N 1.321 -0.653 0 N-CA-C 112.801 0.667 . . . . 0.0 112.801 -177.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 60.0 tttp -68.04 -27.91 66.93 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 120.861 0.362 . . . . 0.0 110.491 -178.756 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 91.3 m -65.76 -22.49 66.59 Favored 'General case' 0 CA--C 1.549 0.928 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.805 179.42 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 67.2 mttm -65.09 -35.7 81.98 Favored 'General case' 0 N--CA 1.45 -0.451 0 N-CA-C 109.672 -0.492 . . . . 0.0 109.672 177.237 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . 0.532 ' O ' ' HG ' ' A' ' 57' ' ' LEU . 22.3 pttp 38.74 42.47 0.61 Allowed 'General case' 0 N--CA 1.491 1.623 0 C-N-CA 125.932 1.693 . . . . 0.0 113.426 178.566 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . 0.549 ' HG3' ' H ' ' A' ' 54' ' ' ARG . 19.3 ptmt -123.26 -79.89 0.62 Allowed 'General case' 0 C--N 1.286 -2.185 0 CA-C-N 115.115 -0.948 . . . . 0.0 111.234 177.816 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . 0.549 ' H ' ' HG3' ' A' ' 53' ' ' LYS . 69.3 mtp180 47.43 -146.26 0.24 Allowed 'General case' 0 C--N 1.353 0.741 0 N-CA-C 109.1 -0.704 . . . . 0.0 109.1 -179.301 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 83.3 m-85 -112.7 -5.45 13.94 Favored 'General case' 0 C--N 1.304 -1.383 0 C-N-CA 119.704 -0.798 . . . . 0.0 109.144 171.841 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 4.6 p -76.03 -30.79 58.57 Favored 'General case' 0 N--CA 1.437 -1.123 0 CA-C-N 115.386 -0.825 . . . . 0.0 111.824 -177.606 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.532 ' HG ' ' O ' ' A' ' 52' ' ' LYS . 4.0 mm? -83.87 -24.19 30.96 Favored 'General case' 0 C--N 1.324 -0.534 0 C-N-CA 120.728 -0.389 . . . . 0.0 110.01 176.604 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 85.1 mt -80.33 -52.92 7.13 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-O 121.611 0.72 . . . . 0.0 109.126 179.257 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 37.8 mt-10 -97.68 90.81 5.13 Favored 'General case' 0 N--CA 1.427 -1.625 0 N-CA-C 107.695 -1.224 . . . . 0.0 107.695 177.884 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 7.5 p80 -72.91 131.45 42.24 Favored 'General case' 0 C--N 1.301 -1.522 0 CA-C-N 115.791 -0.64 . . . . 0.0 111.426 -179.06 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 61.7 m-70 -60.52 -57.08 14.25 Favored 'General case' 0 C--N 1.318 -0.801 0 CA-C-N 114.681 -1.145 . . . . 0.0 110.115 -175.735 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 26.6 p-80 -86.85 111.99 21.3 Favored 'General case' 0 N--CA 1.432 -1.327 0 CA-C-O 121.682 0.753 . . . . 0.0 109.375 176.141 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 30.0 p-80 -130.74 116.63 18.28 Favored 'General case' 0 C--N 1.295 -1.767 0 CA-C-N 115.336 -0.847 . . . . 0.0 111.106 -178.654 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 37.7 t-80 . . . . . 0 C--N 1.289 -2.05 0 N-CA-C 107.854 -1.165 . . . . 0.0 107.854 177.569 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 11.0 tmm? . . . . . 0 CA--C 1.516 -0.333 0 N-CA-C 108.739 -0.837 . . . . 0.0 108.739 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 17.6 p-10 -147.96 68.16 1.11 Allowed 'General case' 0 C--N 1.312 -1.03 0 CA-C-O 122.003 0.906 . . . . 0.0 110.797 175.828 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 30.6 m -66.68 -21.79 28.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 CA-C-N 115.087 -0.96 . . . . 0.0 110.637 179.686 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 13.5 t -69.25 -39.36 78.51 Favored 'General case' 0 N--CA 1.432 -1.337 0 N-CA-C 109.39 -0.596 . . . . 0.0 109.39 179.077 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 34.4 mmtp -79.38 -29.71 42.21 Favored 'General case' 0 N--CA 1.441 -0.924 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.578 -179.124 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.451 HD23 HD23 ' A' ' 45' ' ' LEU . 24.0 tp -69.54 -40.8 76.64 Favored 'General case' 0 N--CA 1.44 -0.952 0 N-CA-C 108.619 -0.882 . . . . 0.0 108.619 176.613 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 2.7 t-20 -63.13 -39.48 94.8 Favored 'General case' 0 N--CA 1.464 0.272 0 CA-C-N 115.791 -0.64 . . . . 0.0 109.313 175.747 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 25.5 t70 -59.67 -37.48 78.86 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.406 -0.816 . . . . 0.0 111.434 176.04 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 80.2 mtp180 -67.16 -43.21 82.83 Favored 'General case' 0 N--CA 1.467 0.386 0 CA-C-O 121.009 0.433 . . . . 0.0 110.142 176.743 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 80.8 mt -60.12 -44.29 94.8 Favored 'Isoleucine or valine' 0 C--O 1.239 0.547 0 CA-C-N 115.635 -0.711 . . . . 0.0 109.287 177.449 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . 0.493 ' HA ' ' HG2' ' A' ' 14' ' ' LYS . 41.0 tt0 -59.2 -45.57 90.72 Favored 'General case' 0 N--CA 1.435 -1.193 0 CA-C-N 115.2 -0.909 . . . . 0.0 110.623 179.944 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -56.74 -36.41 69.73 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.643 -179.859 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 5.3 mptp? -74.36 -43.21 57.5 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 120.934 0.397 . . . . 0.0 110.778 178.265 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.509 ' O ' HG13 ' A' ' 18' ' ' ILE . 16.8 ptmt -73.3 -28.88 62.34 Favored 'General case' 0 C--N 1.31 -1.116 0 N-CA-C 112.056 0.391 . . . . 0.0 112.056 -176.086 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.454 ' HG2' ' O ' ' A' ' 11' ' ' GLU . 14.1 mmmm -69.25 -34.93 75.55 Favored 'General case' 0 C--O 1.256 1.419 0 CA-C-O 121.374 0.607 . . . . 0.0 109.45 175.194 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.414 ' O ' ' HG ' ' A' ' 20' ' ' LEU . 9.4 tp10 -71.76 -39.28 70.09 Favored 'General case' 0 CA--C 1.505 -0.764 0 N-CA-C 106.665 -1.606 . . . . 0.0 106.665 -178.912 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.458 ' O ' HG23 ' A' ' 21' ' ' VAL . 16.1 mt -54.72 -43.02 72.23 Favored 'General case' 0 C--O 1.205 -1.244 0 CA-C-N 114.694 -1.139 . . . . 0.0 112.191 174.437 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.509 HG13 ' O ' ' A' ' 14' ' ' LYS . 75.0 mt -56.76 -40.23 69.13 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.649 0 N-CA-C 109.762 -0.458 . . . . 0.0 109.762 177.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 54.9 t80 -69.16 -47.05 66.03 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.837 -0.62 . . . . 0.0 110.433 176.267 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.414 ' HG ' ' O ' ' A' ' 16' ' ' GLU . 74.6 mt -61.86 -38.29 87.7 Favored 'General case' 0 C--N 1.314 -0.937 0 C-N-CA 123.292 0.637 . . . . 0.0 112.005 -177.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.458 HG23 ' O ' ' A' ' 17' ' ' LEU . 94.8 t -64.39 -36.85 78.42 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.76 0 CA-C-O 121.389 0.614 . . . . 0.0 110.313 175.766 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.46 ' HG2' ' O ' ' A' ' 18' ' ' ILE . 71.5 mm-40 -68.57 -39.59 80.93 Favored 'General case' 0 C--N 1.315 -0.911 0 CA-C-O 121.53 0.681 . . . . 0.0 110.503 176.319 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 45.7 tttp -77.32 -45.86 24.81 Favored 'General case' 0 N--CA 1.423 -1.794 0 CA-C-N 115.317 -0.856 . . . . 0.0 112.825 -174.593 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 73.9 m-85 -106.48 -17.53 14.24 Favored 'General case' 0 C--N 1.315 -0.926 0 N-CA-C 113.154 0.798 . . . . 0.0 113.154 -174.492 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 106.65 178.12 23.08 Favored Glycine 0 C--N 1.3 -1.446 0 C-N-CA 120.296 -0.954 . . . . 0.0 112.283 179.327 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 65.6 m-85 -89.58 133.41 34.62 Favored 'General case' 0 C--N 1.301 -1.509 0 N-CA-C 108.121 -1.066 . . . . 0.0 108.121 179.185 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 25.2 m 65.65 77.82 0.29 Allowed 'General case' 0 C--N 1.32 -0.715 0 CA-C-O 122.522 1.154 . . . . 0.0 110.345 -178.82 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 3.8 t60 -139.25 136.17 34.67 Favored 'General case' 0 C--N 1.297 -1.704 0 N-CA-C 105.108 -2.182 . . . . 0.0 105.108 -178.94 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 86.1 m-70 -61.26 -27.87 68.77 Favored 'General case' 0 N--CA 1.48 1.062 0 N-CA-C 113.802 1.038 . . . . 0.0 113.802 -173.78 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 75.6 mmtt -57.87 -53.87 53.34 Favored 'General case' 0 N--CA 1.465 0.31 0 N-CA-C 108.448 -0.945 . . . . 0.0 108.448 173.291 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.417 HG13 HD22 ' A' ' 17' ' ' LEU . 61.3 t -63.33 -43.31 98.55 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.605 0 CA-C-N 114.483 -1.235 . . . . 0.0 110.423 -178.466 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.41 ' O ' ' HG2' ' A' ' 36' ' ' GLN . 74.9 mt -59.3 -42.2 86.47 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.378 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.922 179.085 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 50.6 m -61.37 -39.64 91.39 Favored 'General case' 0 C--O 1.246 0.896 0 CA-C-O 120.692 0.282 . . . . 0.0 111.458 179.348 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . 0.448 ' HB2' HD21 ' A' ' 17' ' ' LEU . 83.0 m-85 -71.03 -31.32 67.76 Favored 'General case' 0 C--O 1.225 -0.186 0 N-CA-C 110.084 -0.339 . . . . 0.0 110.084 175.896 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 20.7 m -66.38 -35.84 81.35 Favored 'General case' 0 C--O 1.217 -0.644 0 N-CA-C 109.375 -0.602 . . . . 0.0 109.375 177.81 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . 0.41 ' HG2' ' O ' ' A' ' 32' ' ' ILE . 14.1 mm-40 -68.88 -28.84 67.06 Favored 'General case' 0 C--O 1.235 0.319 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.433 176.715 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 41.1 tt0 -75.44 -44.0 46.75 Favored 'General case' 0 C--N 1.318 -0.794 0 N-CA-C 108.979 -0.748 . . . . 0.0 108.979 177.394 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.425 HD11 ' HB3' ' A' ' 14' ' ' LYS . 4.9 tt -58.17 -46.24 86.06 Favored 'General case' 0 C--O 1.219 -0.508 0 N-CA-C 108.247 -1.02 . . . . 0.0 108.247 176.26 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 34.1 t70 -56.18 -40.0 73.25 Favored 'General case' 0 C--O 1.219 -0.516 0 C-N-CA 123.887 0.875 . . . . 0.0 110.376 179.745 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . 0.401 ' O ' ' HG ' ' A' ' 44' ' ' LEU . 0.5 OUTLIER -61.27 -49.87 75.32 Favored 'General case' 0 CA--C 1.538 0.509 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.754 176.576 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 10.3 mp -66.57 -32.89 74.53 Favored 'General case' 0 N--CA 1.467 0.414 0 CA-C-O 121.037 0.446 . . . . 0.0 111.416 -179.686 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 7.5 tt -66.24 -41.46 89.98 Favored 'General case' 0 C--N 1.311 -1.101 0 N-CA-C 108.849 -0.797 . . . . 0.0 108.849 176.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 12.9 m120 -64.6 -27.27 68.83 Favored 'General case' 0 C--O 1.209 -1.047 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.938 178.431 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.401 ' HG ' ' O ' ' A' ' 40' ' ' ARG . 94.2 mt -61.94 -32.24 72.65 Favored 'General case' 0 C--N 1.321 -0.636 0 O-C-N 123.137 0.273 . . . . 0.0 111.25 179.427 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.451 HD23 HD23 ' A' ' 6' ' ' LEU . 94.4 mt -65.27 -39.64 92.87 Favored 'General case' 0 C--O 1.237 0.403 0 N-CA-C 109.211 -0.663 . . . . 0.0 109.211 175.193 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 2.0 mp -72.8 -40.89 61.4 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.846 0 CA-C-N 115.133 -0.94 . . . . 0.0 110.147 179.401 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . 0.538 ' O ' ' HG2' ' A' ' 51' ' ' LYS . 35.5 mt-10 -64.52 -35.63 81.58 Favored 'General case' 0 C--O 1.215 -0.727 0 O-C-N 122.254 -0.279 . . . . 0.0 111.511 177.651 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 21.4 tp -68.63 -37.3 79.62 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 121.378 0.609 . . . . 0.0 110.31 176.536 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 14.3 tmtt? -64.21 -35.87 82.21 Favored 'General case' 0 C--N 1.318 -0.783 0 CA-C-N 115.251 -0.886 . . . . 0.0 109.206 175.611 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 42.0 m -74.66 -24.64 58.84 Favored 'General case' 0 CA--C 1.554 1.123 0 CA-C-N 115.512 -0.767 . . . . 0.0 110.943 -179.895 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . 0.538 ' HG2' ' O ' ' A' ' 47' ' ' GLU . 45.7 mmtm -67.16 -29.55 69.28 Favored 'General case' 0 CA--C 1.513 -0.455 0 N-CA-C 109.707 -0.479 . . . . 0.0 109.707 176.553 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 58.7 pttt 53.03 14.34 0.46 Allowed 'General case' 0 N--CA 1.495 1.806 0 C-N-CA 126.872 2.069 . . . . 0.0 113.836 178.741 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 12.4 ptmm? -89.49 20.03 4.16 Favored 'General case' 0 C--N 1.31 -1.142 0 CA-C-O 121.911 0.862 . . . . 0.0 110.97 -178.603 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 63.8 mtp180 -86.09 130.02 34.66 Favored 'General case' 0 N--CA 1.416 -2.171 0 N-CA-C 107.319 -1.364 . . . . 0.0 107.319 175.198 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 69.3 m-85 -79.39 4.55 15.04 Favored 'General case' 0 C--N 1.294 -1.807 0 CA-C-O 121.419 0.628 . . . . 0.0 110.836 -175.186 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 12.7 p -76.34 -25.64 54.94 Favored 'General case' 0 N--CA 1.425 -1.694 0 CA-C-O 121.697 0.761 . . . . 0.0 109.002 173.535 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 82.9 mt -85.52 -36.76 20.31 Favored 'General case' 0 C--O 1.235 0.321 0 CA-C-N 115.405 -0.816 . . . . 0.0 109.516 178.528 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 89.8 mt -79.5 -39.31 32.36 Favored 'General case' 0 C--N 1.317 -0.809 0 CA-C-N 115.103 -0.953 . . . . 0.0 111.155 -178.244 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 34.8 mt-10 -104.06 -99.73 0.31 Allowed 'General case' 0 N--CA 1.436 -1.15 0 N-CA-C 109.693 -0.484 . . . . 0.0 109.693 179.317 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 42.2 m80 -144.69 150.02 36.62 Favored 'General case' 0 C--N 1.305 -1.346 0 C-N-CA 123.789 0.836 . . . . 0.0 109.28 178.487 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 25.5 t-80 -104.99 -35.28 7.72 Favored 'General case' 0 C--N 1.305 -1.354 0 N-CA-C 108.74 -0.837 . . . . 0.0 108.74 176.841 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 35.9 m80 -108.24 135.97 48.67 Favored 'General case' 0 C--N 1.298 -1.651 0 N-CA-C 108.512 -0.921 . . . . 0.0 108.512 -177.94 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 66.2 m80 -133.61 128.14 34.53 Favored 'General case' 0 C--N 1.3 -1.555 0 CA-C-O 120.728 0.299 . . . . 0.0 110.361 -176.382 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 52.3 m80 . . . . . 0 N--CA 1.421 -1.903 0 N-CA-C 107.978 -1.119 . . . . 0.0 107.978 176.546 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 42.5 ttm . . . . . 0 N--CA 1.47 0.535 0 CA-C-O 120.855 0.36 . . . . 0.0 110.396 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . 0.481 ' OD1' ' HB ' ' A' ' 4' ' ' THR . 22.4 t-20 -77.75 118.71 20.37 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-N 116.0 -0.545 . . . . 0.0 111.726 -176.375 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 33.3 m -74.77 -28.42 21.62 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.541 0 C-N-CA 122.96 0.504 . . . . 0.0 112.106 177.764 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . 0.481 ' HB ' ' OD1' ' A' ' 2' ' ' ASN . 28.6 m -53.35 -41.44 65.78 Favored 'General case' 0 C--N 1.319 -0.734 0 C-N-CA 125.018 1.327 . . . . 0.0 112.112 -173.516 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.533 ' O ' ' HG3' ' A' ' 9' ' ' ARG . 22.8 pttm -55.31 -26.8 42.77 Favored 'General case' 0 C--N 1.306 -1.317 0 CA-C-N 114.916 -1.038 . . . . 0.0 112.651 -178.565 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 44.4 tp -64.12 -50.22 69.09 Favored 'General case' 0 C--O 1.234 0.254 0 N-CA-C 109.726 -0.472 . . . . 0.0 109.726 178.354 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . 0.456 ' HA ' HD12 ' A' ' 10' ' ' ILE . 9.5 t30 -68.06 -32.23 72.43 Favored 'General case' 0 CA--C 1.508 -0.655 0 N-CA-C 108.992 -0.744 . . . . 0.0 108.992 178.559 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . 0.47 ' HB3' ' HA ' ' A' ' 5' ' ' LYS . 25.1 t70 -60.71 -32.54 71.78 Favored 'General case' 0 C--N 1.31 -1.125 0 CA-C-N 114.843 -1.071 . . . . 0.0 110.888 176.9 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . 0.533 ' HG3' ' O ' ' A' ' 5' ' ' LYS . 71.9 mtp180 -68.17 -39.77 82.48 Favored 'General case' 0 C--O 1.24 0.597 0 N-CA-C 108.718 -0.845 . . . . 0.0 108.718 176.151 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.456 HD12 ' HA ' ' A' ' 7' ' ' ASN . 49.1 mt -63.11 -48.7 86.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 CA-C-N 115.02 -0.991 . . . . 0.0 109.256 179.131 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . 0.445 ' O ' ' HG2' ' A' ' 14' ' ' LYS . 18.8 mm-40 -51.16 -48.38 61.9 Favored 'General case' 0 N--CA 1.467 0.423 0 O-C-N 123.909 0.756 . . . . 0.0 111.321 179.391 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -64.38 -41.58 96.6 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.574 -179.929 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 61.8 mttp -77.37 -32.51 55.03 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 113.525 0.935 . . . . 0.0 113.525 -176.771 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.454 ' O ' HG13 ' A' ' 18' ' ' ILE . 18.6 ptmt -67.27 -34.46 77.46 Favored 'General case' 0 C--N 1.32 -0.68 0 C-N-CA 120.684 -0.406 . . . . 0.0 109.922 -179.846 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 75.9 mmtt -70.75 -30.61 67.17 Favored 'General case' 0 C--O 1.239 0.551 0 CA-C-O 121.303 0.573 . . . . 0.0 110.209 177.562 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.49 ' O ' ' HG ' ' A' ' 20' ' ' LEU . 38.6 tt0 -74.89 -42.83 57.08 Favored 'General case' 0 C--N 1.315 -0.933 0 N-CA-C 108.649 -0.871 . . . . 0.0 108.649 -178.63 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.428 ' O ' HG23 ' A' ' 21' ' ' VAL . 13.7 mt -59.39 -42.31 91.43 Favored 'General case' 0 N--CA 1.427 -1.579 0 CA-C-N 114.716 -1.129 . . . . 0.0 112.458 176.518 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.454 HG13 ' O ' ' A' ' 14' ' ' LYS . 85.8 mt -57.38 -44.79 84.98 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.63 0 CA-C-O 120.74 0.305 . . . . 0.0 110.26 176.51 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 65.1 t80 -61.8 -45.29 94.47 Favored 'General case' 0 C--O 1.248 0.999 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.487 176.703 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.49 ' HG ' ' O ' ' A' ' 16' ' ' GLU . 84.5 mt -63.96 -42.26 97.32 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.91 -0.586 . . . . 0.0 111.087 -179.716 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.516 ' O ' ' HA2' ' A' ' 25' ' ' GLY . 78.3 t -62.2 -33.24 57.73 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.836 0 C-N-CA 123.124 0.57 . . . . 0.0 111.838 178.199 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.42 ' HG3' ' O ' ' A' ' 18' ' ' ILE . 47.0 mt-10 -68.34 -50.48 53.03 Favored 'General case' 0 C--N 1.314 -0.972 0 O-C-N 121.416 -0.802 . . . . 0.0 110.914 175.142 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 11.6 mptt -81.9 -48.37 11.6 Favored 'General case' 0 C--N 1.319 -0.723 0 N-CA-C 113.674 0.99 . . . . 0.0 113.674 -171.198 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 92.5 m-85 -98.53 -42.13 7.44 Favored 'General case' 0 C--N 1.304 -1.37 0 N-CA-C 109.003 -0.74 . . . . 0.0 109.003 -179.922 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . 0.516 ' HA2' ' O ' ' A' ' 21' ' ' VAL . . . 89.08 -129.19 9.53 Favored Glycine 0 N--CA 1.419 -2.45 0 N-CA-C 109.406 -1.478 . . . . 0.0 109.406 -177.679 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 50.4 m-85 -112.1 -158.07 0.64 Allowed 'General case' 0 C--N 1.276 -2.59 0 N-CA-C 107.577 -1.268 . . . . 0.0 107.577 173.676 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 59.2 p 68.47 -40.58 0.43 Allowed 'General case' 0 N--CA 1.481 1.076 0 C-N-CA 125.729 1.612 . . . . 0.0 112.257 -174.135 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 23.4 t60 -62.36 115.8 4.51 Favored 'General case' 0 N--CA 1.439 -0.982 0 N-CA-C 108.031 -1.1 . . . . 0.0 108.031 176.313 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 91.5 m-70 -59.39 -35.45 73.97 Favored 'General case' 0 C--N 1.306 -1.287 0 C-N-CA 124.475 1.11 . . . . 0.0 113.285 -171.459 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 75.4 mmtt -62.68 -44.16 96.96 Favored 'General case' 0 C--O 1.224 -0.257 0 C-N-CA 120.686 -0.406 . . . . 0.0 110.581 178.719 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 91.6 t -59.46 -45.33 93.78 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.581 0 N-CA-C 109.409 -0.589 . . . . 0.0 109.409 -179.772 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.493 HG22 HE21 ' A' ' 36' ' ' GLN . 67.3 mt -62.29 -45.85 97.8 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.909 0 CA-C-N 115.2 -0.909 . . . . 0.0 109.936 179.469 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 21.7 m -64.71 -36.1 83.19 Favored 'General case' 0 C--O 1.245 0.83 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.827 -178.676 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 18.8 m-85 -71.75 -38.95 70.34 Favored 'General case' 0 N--CA 1.463 0.197 0 N-CA-C 110.03 -0.359 . . . . 0.0 110.03 178.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 22.1 t -63.97 -32.48 74.03 Favored 'General case' 0 C--O 1.242 0.709 0 CA-C-O 121.382 0.611 . . . . 0.0 110.084 178.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . 0.493 HE21 HG22 ' A' ' 32' ' ' ILE . 78.1 mt-30 -67.17 -40.09 86.53 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.652 176.037 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . 0.54 ' O ' ' HG ' ' A' ' 41' ' ' LEU . 35.9 tt0 -68.38 -42.08 79.66 Favored 'General case' 0 N--CA 1.447 -0.586 0 N-CA-C 109.406 -0.59 . . . . 0.0 109.406 -179.325 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 7.2 tt -53.17 -53.38 51.42 Favored 'General case' 0 CA--C 1.531 0.228 0 O-C-N 124.011 0.819 . . . . 0.0 109.601 177.899 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 15.4 t70 -56.82 -42.41 79.53 Favored 'General case' 0 N--CA 1.477 0.908 0 CA-C-O 121.113 0.482 . . . . 0.0 111.323 179.091 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . 0.488 ' O ' ' HG ' ' A' ' 44' ' ' LEU . 20.0 mmt180 -71.42 -29.37 64.81 Favored 'General case' 0 N--CA 1.439 -0.975 0 N-CA-C 112.715 0.635 . . . . 0.0 112.715 -178.924 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.54 ' HG ' ' O ' ' A' ' 37' ' ' GLU . 98.2 mt -65.83 -37.25 85.7 Favored 'General case' 0 C--N 1.317 -0.818 0 N-CA-C 109.014 -0.736 . . . . 0.0 109.014 174.355 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.512 ' O ' HG13 ' A' ' 46' ' ' ILE . 3.9 mm? -61.94 -39.59 92.61 Favored 'General case' 0 C--O 1.219 -0.508 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.095 173.492 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -63.31 -27.85 69.61 Favored 'General case' 0 N--CA 1.485 1.286 0 CA-C-O 121.372 0.606 . . . . 0.0 111.417 178.522 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.488 ' HG ' ' O ' ' A' ' 40' ' ' ARG . 86.6 mt -72.65 -40.45 66.36 Favored 'General case' 0 C--N 1.312 -1.034 0 CA-C-N 115.751 -0.659 . . . . 0.0 109.261 177.004 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 90.0 mt -64.96 -38.38 90.76 Favored 'General case' 0 CA--C 1.512 -0.512 0 CA-C-N 116.646 -0.252 . . . . 0.0 110.527 177.23 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.512 HG13 ' O ' ' A' ' 42' ' ' LEU . 78.1 mt -59.03 -31.74 46.31 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.475 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.053 177.615 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 34.0 tt0 -67.82 -39.33 83.94 Favored 'General case' 0 C--N 1.313 -0.991 0 N-CA-C 109.484 -0.561 . . . . 0.0 109.484 178.555 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -70.5 -34.91 72.88 Favored 'General case' 0 C--O 1.236 0.376 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.231 176.241 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 11.6 mmmm -59.04 -42.09 89.43 Favored 'General case' 0 C--O 1.22 -0.494 0 CA-C-N 115.941 -0.572 . . . . 0.0 109.588 174.451 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 40.5 m -65.14 -21.74 66.83 Favored 'General case' 0 CA--C 1.552 1.049 0 CA-C-N 115.354 -0.839 . . . . 0.0 111.548 -178.714 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 73.8 mmtt -75.78 -20.37 58.29 Favored 'General case' 0 N--CA 1.455 -0.217 0 N-CA-C 108.774 -0.824 . . . . 0.0 108.774 178.737 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . 0.405 ' HA ' HD12 ' A' ' 57' ' ' LEU 0.279 22.2 pttp 53.65 3.48 0.04 OUTLIER 'General case' 0 N--CA 1.488 1.427 0 C-N-CA 127.991 2.516 . . . . 0.0 116.617 175.915 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 61.4 pttt -101.94 17.92 21.94 Favored 'General case' 0 C--N 1.297 -1.688 0 CA-C-O 121.912 0.863 . . . . 0.0 109.237 179.779 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 31.3 mmt180 -100.93 156.27 17.48 Favored 'General case' 0 C--N 1.303 -1.423 0 CA-C-N 115.026 -0.988 . . . . 0.0 110.941 -178.127 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' TYR . . . . . 0.405 ' HA ' ' HB2' ' A' ' 58' ' ' LEU . 90.2 m-85 -68.93 -9.78 53.73 Favored 'General case' 0 C--O 1.216 -0.693 0 N-CA-C 113.089 0.774 . . . . 0.0 113.089 -173.15 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 2.0 p -72.46 -24.88 61.26 Favored 'General case' 0 C--N 1.3 -1.561 0 CA-C-O 121.328 0.585 . . . . 0.0 110.717 176.382 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.405 HD12 ' HA ' ' A' ' 52' ' ' LYS . 88.0 mt -110.05 -29.47 8.21 Favored 'General case' 0 N--CA 1.442 -0.844 0 CA-C-N 116.022 -0.536 . . . . 0.0 111.43 175.436 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.405 ' HB2' ' HA ' ' A' ' 55' ' ' TYR . 85.4 mt -71.78 -33.7 68.82 Favored 'General case' 0 CA--C 1.518 -0.257 0 CA-C-N 116.371 -0.377 . . . . 0.0 111.104 -179.32 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 32.4 mm-40 -104.88 117.97 35.37 Favored 'General case' 0 N--CA 1.421 -1.889 0 N-CA-C 108.263 -1.014 . . . . 0.0 108.263 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 8.9 p-80 -65.42 112.9 3.76 Favored 'General case' 0 C--N 1.298 -1.648 0 CA-C-N 115.663 -0.699 . . . . 0.0 111.26 179.399 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 20.7 p80 -136.51 124.89 23.35 Favored 'General case' 0 N--CA 1.433 -1.291 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.692 178.028 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 35.0 t-80 62.39 97.62 0.03 OUTLIER 'General case' 0 C--O 1.245 0.855 0 C-N-CA 125.494 1.518 . . . . 0.0 112.85 177.633 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 33.9 t60 -94.06 118.69 31.88 Favored 'General case' 0 C--N 1.303 -1.422 0 N-CA-C 107.9 -1.148 . . . . 0.0 107.9 176.616 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 49.7 t-80 . . . . . 0 C--N 1.295 -1.789 0 N-CA-C 108.704 -0.85 . . . . 0.0 108.704 -178.561 . . . . . . . . 0 0 . 1 . 021 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 64.8 mtt . . . . . 0 CA--C 1.501 -0.921 0 N-CA-C 108.879 -0.785 . . . . 0.0 108.879 . . . . . . . . . 0 0 . 1 . 021 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 3.4 m-20 -81.68 139.77 34.74 Favored 'General case' 0 C--N 1.302 -1.464 0 N-CA-C 108.066 -1.087 . . . . 0.0 108.066 177.188 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 27.3 m -68.5 -22.44 27.08 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.638 0 N-CA-C 112.265 0.468 . . . . 0.0 112.265 -175.432 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 9.0 t -65.96 -38.02 87.5 Favored 'General case' 0 CA--C 1.551 1.007 0 CA-C-O 121.083 0.468 . . . . 0.0 109.82 176.092 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.416 ' HD3' ' HA ' ' A' ' 5' ' ' LYS . 26.9 mmtt -77.62 -30.14 52.16 Favored 'General case' 0 N--CA 1.437 -1.075 0 O-C-N 121.886 -0.509 . . . . 0.0 111.796 176.386 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.402 ' O ' HG13 ' A' ' 10' ' ' ILE . 58.8 tp -61.88 -43.22 99.28 Favored 'General case' 0 C--N 1.319 -0.727 0 N-CA-C 107.88 -1.155 . . . . 0.0 107.88 173.891 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 25.8 t-20 -63.52 -40.32 96.73 Favored 'General case' 0 C--O 1.212 -0.92 0 CA-C-N 115.096 -0.956 . . . . 0.0 110.588 178.186 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 32.6 t70 -58.62 -37.96 77.02 Favored 'General case' 0 N--CA 1.488 1.432 0 CA-C-O 121.248 0.547 . . . . 0.0 111.36 178.26 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 81.1 mtp180 -65.17 -50.19 66.93 Favored 'General case' 0 C--O 1.243 0.757 0 CA-C-O 121.41 0.624 . . . . 0.0 109.74 177.035 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.53 ' O ' ' HG2' ' A' ' 14' ' ' LYS . 74.3 mt -62.88 -44.12 99.37 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.739 0 CA-C-N 114.555 -1.202 . . . . 0.0 110.89 -178.137 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 7.8 tp10 -56.57 -40.09 74.61 Favored 'General case' 0 C--N 1.33 -0.247 0 C-N-CA 123.79 0.836 . . . . 0.0 110.65 -178.02 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -65.45 -36.73 84.79 Favored 'General case' 0 C--N 1.316 -0.852 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.645 178.41 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 34.9 mmtp -76.56 -39.85 51.54 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.623 -177.828 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.53 ' HG2' ' O ' ' A' ' 10' ' ' ILE . 10.1 ptmm? -73.89 -31.87 63.32 Favored 'General case' 0 C--N 1.313 -0.987 0 N-CA-C 112.76 0.652 . . . . 0.0 112.76 -179.746 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.416 ' HD3' ' N ' ' A' ' 16' ' ' GLU . 0.0 OUTLIER -65.42 -32.71 74.48 Favored 'General case' 0 C--O 1.237 0.415 0 C-N-CA 119.728 -0.789 . . . . 0.0 109.431 175.936 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.567 ' O ' ' HG ' ' A' ' 20' ' ' LEU . 34.5 tt0 -73.01 -46.48 51.88 Favored 'General case' 0 N--CA 1.431 -1.397 0 CA-C-N 114.71 -1.132 . . . . 0.0 109.109 177.01 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.529 ' O ' HG23 ' A' ' 21' ' ' VAL . 58.0 tp -56.68 -45.83 81.5 Favored 'General case' 0 C--O 1.216 -0.676 0 CA-C-N 115.802 -0.635 . . . . 0.0 111.561 179.447 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.518 HG13 ' O ' ' A' ' 14' ' ' LYS . 75.9 mt -59.95 -42.7 90.35 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.448 0 N-CA-C 109.561 -0.533 . . . . 0.0 109.561 178.882 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 79.1 t80 -61.68 -39.62 92.05 Favored 'General case' 0 C--O 1.239 0.541 0 CA-C-O 121.325 0.583 . . . . 0.0 109.838 177.653 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.567 ' HG ' ' O ' ' A' ' 16' ' ' GLU . 76.9 mt -66.86 -35.61 80.42 Favored 'General case' 0 C--O 1.212 -0.899 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.466 178.404 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.529 HG23 ' O ' ' A' ' 17' ' ' LEU . 82.6 t -67.29 -36.79 77.65 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.795 0 CA-C-O 120.97 0.414 . . . . 0.0 110.23 177.158 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.512 ' HG3' ' O ' ' A' ' 18' ' ' ILE . 48.1 mt-10 -67.89 -51.68 45.21 Favored 'General case' 0 C--N 1.309 -1.161 0 CA-C-O 120.946 0.403 . . . . 0.0 110.503 177.896 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 74.4 mmtt -81.96 -47.99 12.02 Favored 'General case' 0 C--N 1.32 -0.675 0 N-CA-C 113.816 1.043 . . . . 0.0 113.816 -174.229 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 90.4 m-85 -96.84 -37.52 10.21 Favored 'General case' 0 C--N 1.311 -1.106 0 CA-C-O 120.718 0.294 . . . . 0.0 110.996 -176.001 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 78.66 159.47 14.29 Favored Glycine 0 C--O 1.258 1.631 0 CA-C-N 115.902 -0.59 . . . . 0.0 114.086 175.709 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 43.6 m-85 -72.16 87.09 1.08 Allowed 'General case' 0 N--CA 1.441 -0.879 0 CA-C-O 121.933 0.873 . . . . 0.0 111.15 176.205 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 14.8 t -169.49 -28.75 0.02 OUTLIER 'General case' 0 C--N 1.288 -2.084 0 N-CA-C 105.911 -1.885 . . . . 0.0 105.911 178.199 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 35.2 m80 -74.39 131.31 40.98 Favored 'General case' 0 N--CA 1.434 -1.259 0 CA-C-N 114.431 -1.258 . . . . 0.0 108.521 170.902 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 56.1 t60 -61.86 -32.85 73.24 Favored 'General case' 0 C--N 1.32 -0.699 0 O-C-N 123.786 0.679 . . . . 0.0 109.26 -179.883 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 44.1 mmtm -50.92 -58.94 4.74 Favored 'General case' 0 C--O 1.225 -0.226 0 O-C-N 123.802 0.689 . . . . 0.0 110.857 175.109 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 59.5 t -59.48 -42.98 89.6 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.71 0 C-N-CA 123.34 0.656 . . . . 0.0 110.81 -177.69 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 71.1 mt -66.06 -41.86 90.4 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.868 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.522 -179.423 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 20.7 t -66.98 -43.34 83.28 Favored 'General case' 0 C--N 1.317 -0.811 0 C-N-CA 122.697 0.399 . . . . 0.0 110.092 179.933 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 24.6 m-85 -66.08 -33.26 75.38 Favored 'General case' 0 C--O 1.214 -0.769 0 C-N-CA 120.97 -0.292 . . . . 0.0 110.692 178.595 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 11.5 t -67.49 -44.12 79.29 Favored 'General case' 0 C--N 1.319 -0.741 0 N-CA-C 109.723 -0.473 . . . . 0.0 109.723 179.055 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 49.7 mt-30 -65.43 -33.12 75.21 Favored 'General case' 0 N--CA 1.471 0.582 0 CA-C-O 121.635 0.731 . . . . 0.0 110.372 177.962 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 40.9 tp10 -69.39 -45.36 69.49 Favored 'General case' 0 N--CA 1.438 -1.053 0 CA-C-N 115.539 -0.755 . . . . 0.0 109.091 177.602 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 1.3 tm? -61.29 -37.43 83.17 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.309 -0.859 . . . . 0.0 108.816 178.866 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 29.5 m-20 -56.64 -44.08 80.92 Favored 'General case' 0 CA--C 1.509 -0.631 0 CA-C-O 120.65 0.262 . . . . 0.0 111.186 175.643 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 26.9 tpt180 -70.75 -36.87 73.32 Favored 'General case' 0 C--N 1.319 -0.757 0 C-N-CA 120.363 -0.535 . . . . 0.0 110.849 179.508 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 10.8 mp -62.64 -40.92 98.54 Favored 'General case' 0 N--CA 1.474 0.743 0 CA-C-O 120.937 0.398 . . . . 0.0 111.151 175.379 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 50.7 tp -63.94 -30.5 71.58 Favored 'General case' 0 C--N 1.318 -0.799 0 CA-C-O 121.738 0.78 . . . . 0.0 109.805 177.876 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . 0.518 ' O ' ' HG2' ' A' ' 47' ' ' GLU . 8.4 m-80 -75.36 -17.87 60.12 Favored 'General case' 0 C--N 1.316 -0.875 0 CA-C-N 115.046 -0.979 . . . . 0.0 112.476 177.583 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 95.6 mt -63.95 -31.86 73.19 Favored 'General case' 0 C--O 1.22 -0.494 0 CA-C-O 120.844 0.354 . . . . 0.0 110.722 179.649 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.479 ' O ' ' HG3' ' A' ' 49' ' ' LYS . 6.5 mp -63.37 -38.23 90.34 Favored 'General case' 0 C--N 1.322 -0.587 0 N-CA-C 109.202 -0.666 . . . . 0.0 109.202 176.135 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 86.6 mt -69.25 -40.71 80.65 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.664 0 CA-C-N 114.998 -1.001 . . . . 0.0 109.72 178.054 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . 0.518 ' HG2' ' O ' ' A' ' 43' ' ' ASN . 32.9 mm-40 -58.84 -47.23 85.58 Favored 'General case' 0 C--N 1.318 -0.794 0 N-CA-C 108.986 -0.746 . . . . 0.0 108.986 176.813 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -61.07 -35.58 77.34 Favored 'General case' 0 N--CA 1.469 0.519 0 N-CA-C 112.369 0.507 . . . . 0.0 112.369 177.039 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . 0.479 ' HG3' ' O ' ' A' ' 45' ' ' LEU . 55.8 mtpt -67.24 -33.17 74.79 Favored 'General case' 0 N--CA 1.471 0.611 0 CA-C-O 121.109 0.48 . . . . 0.0 110.15 176.416 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 31.9 m -75.05 -43.42 53.47 Favored 'General case' 0 N--CA 1.437 -1.09 0 CA-C-N 115.279 -0.873 . . . . 0.0 110.135 -179.432 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 1.9 mptm? -63.99 -51.59 63.54 Favored 'General case' 0 N--CA 1.445 -0.694 0 N-CA-C 110.05 -0.352 . . . . 0.0 110.05 175.561 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 21.8 pttm 40.69 37.58 0.51 Allowed 'General case' 0 N--CA 1.495 1.804 0 C-N-CA 125.837 1.655 . . . . 0.0 113.528 176.607 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . 0.615 ' HD3' ' H ' ' A' ' 54' ' ' ARG 0.386 0.0 OUTLIER -102.11 -73.19 0.66 Allowed 'General case' 0 N--CA 1.408 -2.56 0 N-CA-C 114.274 1.213 . . . . 0.0 114.274 -177.047 . . . . . . . . 4 4 . 1 . 021 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . 0.615 ' H ' ' HD3' ' A' ' 53' ' ' LYS . 55.0 mtm180 -143.13 94.14 2.59 Favored 'General case' 0 C--N 1.314 -0.948 0 CA-C-N 119.028 0.831 . . . . 0.0 110.176 177.747 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 18.4 p90 -136.35 -51.45 0.7 Allowed 'General case' 0 C--N 1.298 -1.636 0 CA-C-N 115.722 -0.672 . . . . 0.0 109.594 175.679 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 24.8 t -155.89 26.43 0.38 Allowed 'General case' 0 N--CA 1.436 -1.135 0 CA-C-O 121.362 0.601 . . . . 0.0 109.385 -179.772 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 76.0 mt -106.31 16.86 24.25 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-O 122.112 0.958 . . . . 0.0 108.787 179.537 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -87.42 -20.5 26.56 Favored 'General case' 0 C--N 1.317 -0.82 0 CA-C-N 114.795 -1.093 . . . . 0.0 109.073 -177.874 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 39.3 mt-10 -117.18 102.61 9.44 Favored 'General case' 0 C--N 1.315 -0.923 0 CA-C-N 115.323 -0.853 . . . . 0.0 109.767 179.867 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 34.2 m170 -132.87 155.71 48.52 Favored 'General case' 0 C--N 1.295 -1.782 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.227 179.671 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 17.7 p80 -93.0 -15.13 26.55 Favored 'General case' 0 C--N 1.316 -0.889 0 N-CA-C 107.244 -1.391 . . . . 0.0 107.244 170.271 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 40.0 t-80 -77.39 100.01 5.8 Favored 'General case' 0 N--CA 1.438 -1.056 0 N-CA-C 107.027 -1.471 . . . . 0.0 107.027 171.851 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 97.4 m-70 -78.54 108.77 12.16 Favored 'General case' 0 C--N 1.305 -1.362 0 CA-C-O 121.167 0.508 . . . . 0.0 110.701 -176.654 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 80.2 t60 . . . . . 0 C--N 1.3 -1.566 0 N-CA-C 106.642 -1.614 . . . . 0.0 106.642 -178.789 . . . . . . . . 0 0 . 1 . 022 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 72.3 mtm . . . . . 0 N--CA 1.467 0.379 0 CA-C-O 120.646 0.26 . . . . 0.0 110.725 . . . . . . . . . 0 0 . 1 . 022 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 14.3 m120 -100.4 97.4 8.15 Favored 'General case' 0 C--O 1.251 1.158 0 C-N-CA 120.15 -0.62 . . . . 0.0 112.107 -176.273 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 27.7 m -68.32 -23.05 27.95 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.72 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.319 178.519 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 12.2 t -65.87 -32.77 74.48 Favored 'General case' 0 N--CA 1.441 -0.918 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.014 176.824 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 42.0 mmtm -78.59 -30.47 46.68 Favored 'General case' 0 CA--C 1.505 -0.784 0 CA-C-O 120.704 0.288 . . . . 0.0 110.639 178.042 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 45.5 tp -68.0 -43.81 78.03 Favored 'General case' 0 C--N 1.316 -0.864 0 N-CA-C 107.984 -1.117 . . . . 0.0 107.984 175.99 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . 0.524 ' HB2' HD21 ' A' ' 45' ' ' LEU . 7.9 t30 -60.94 -40.99 95.38 Favored 'General case' 0 C--O 1.219 -0.539 0 CA-C-N 115.092 -0.958 . . . . 0.0 109.522 176.351 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 19.2 t70 -58.99 -34.42 71.81 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-N 114.742 -1.117 . . . . 0.0 110.663 179.688 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 61.8 mtp180 -67.85 -39.46 83.8 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.67 -0.696 . . . . 0.0 110.12 176.849 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.487 ' O ' ' HG3' ' A' ' 14' ' ' LYS . 53.9 mt -63.17 -42.63 97.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 N-CA-C 108.704 -0.85 . . . . 0.0 108.704 178.421 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . 0.514 ' HG2' ' O ' ' A' ' 7' ' ' ASN . 16.8 mm-40 -55.5 -47.22 76.55 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.411 -0.813 . . . . 0.0 111.056 179.103 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -70.46 -27.85 64.56 Favored 'General case' 0 C--O 1.246 0.889 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.853 -179.261 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 18.1 tptm -77.24 -33.11 56.12 Favored 'General case' 0 C--N 1.317 -0.811 0 N-CA-C 109.118 -0.697 . . . . 0.0 109.118 -178.361 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.562 ' O ' HG12 ' A' ' 18' ' ' ILE . 97.9 mttt -58.77 -49.29 78.2 Favored 'General case' 0 C--O 1.21 -0.975 0 CA-C-N 115.649 -0.705 . . . . 0.0 109.323 173.501 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 29.1 mtpp -58.76 -40.08 82.87 Favored 'General case' 0 N--CA 1.47 0.53 0 O-C-N 123.853 0.721 . . . . 0.0 110.45 -179.375 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 33.4 tt0 -65.72 -42.26 91.29 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-N 115.637 -0.711 . . . . 0.0 109.23 179.221 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.504 ' O ' HG23 ' A' ' 21' ' ' VAL . 55.1 tp -64.15 -41.59 97.12 Favored 'General case' 0 N--CA 1.445 -0.72 0 CA-C-N 115.37 -0.832 . . . . 0.0 110.862 179.375 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.562 HG12 ' O ' ' A' ' 14' ' ' LYS . 27.3 mm -53.81 -51.98 39.34 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.678 0 N-CA-C 108.468 -0.938 . . . . 0.0 108.468 179.511 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 54.1 t80 -55.96 -43.52 77.6 Favored 'General case' 0 C--N 1.314 -0.976 0 CA-C-N 113.528 -1.669 . . . . 0.0 110.449 -178.281 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.506 HD13 ' CE2' ' A' ' 34' ' ' PHE . 80.5 mt -74.49 -36.34 63.26 Favored 'General case' 0 C--N 1.309 -1.169 0 CA-C-N 115.438 -0.801 . . . . 0.0 112.775 -178.556 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.504 HG23 ' O ' ' A' ' 17' ' ' LEU . 87.9 t -64.72 -40.87 90.55 Favored 'Isoleucine or valine' 0 C--O 1.241 0.606 0 CA-C-O 120.827 0.346 . . . . 0.0 110.252 178.554 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.449 ' HG2' ' O ' ' A' ' 18' ' ' ILE . 44.2 mm-40 -64.51 -33.14 75.21 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-O 121.19 0.519 . . . . 0.0 110.802 179.193 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 59.3 mttm -82.03 -44.81 16.14 Favored 'General case' 0 C--N 1.316 -0.853 0 N-CA-C 113.976 1.102 . . . . 0.0 113.976 -179.056 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 89.8 m-85 -109.12 -20.34 13.03 Favored 'General case' 0 C--N 1.305 -1.328 0 N-CA-C 114.491 1.293 . . . . 0.0 114.491 -170.464 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 89.72 174.06 45.64 Favored Glycine 0 C--N 1.306 -1.092 0 C-N-CA 119.797 -1.192 . . . . 0.0 111.929 -178.955 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 26.0 p90 -84.34 -20.24 32.34 Favored 'General case' 0 C--N 1.309 -1.163 0 CA-C-O 121.148 0.499 . . . . 0.0 111.515 -176.155 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 6.4 m -84.82 -6.17 59.34 Favored 'General case' 0 CA--C 1.553 1.088 0 CA-C-O 121.495 0.665 . . . . 0.0 111.256 -176.01 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 57.7 t60 -77.8 124.99 28.66 Favored 'General case' 0 C--N 1.316 -0.883 0 N-CA-C 108.861 -0.792 . . . . 0.0 108.861 -179.327 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 45.0 m80 -56.53 -42.6 78.75 Favored 'General case' 0 N--CA 1.483 1.216 0 N-CA-C 112.918 0.71 . . . . 0.0 112.918 -173.952 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 29.7 mtpp -60.36 -40.0 89.21 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.581 -0.282 . . . . 0.0 111.073 179.389 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 94.9 t -64.4 -39.0 84.01 Favored 'Isoleucine or valine' 0 C--O 1.247 0.95 0 CA-C-O 121.007 0.432 . . . . 0.0 110.101 179.909 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.512 ' O ' ' HG2' ' A' ' 36' ' ' GLN . 70.3 mt -60.95 -44.87 98.95 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.654 0 N-CA-C 109.142 -0.688 . . . . 0.0 109.142 176.157 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . 0.404 ' O ' ' HG3' ' A' ' 37' ' ' GLU . 22.7 t -63.35 -37.81 88.71 Favored 'General case' 0 CA--C 1.546 0.82 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.05 179.522 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . 0.506 ' CE2' HD13 ' A' ' 20' ' ' LEU . 16.3 m-85 -67.29 -35.9 80.43 Favored 'General case' 0 N--CA 1.471 0.616 0 CA-C-O 121.374 0.607 . . . . 0.0 109.876 178.695 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 31.4 m -66.84 -33.56 75.88 Favored 'General case' 0 C--N 1.317 -0.82 0 CA-C-N 115.426 -0.806 . . . . 0.0 110.07 178.272 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . 0.512 ' HG2' ' O ' ' A' ' 32' ' ' ILE . 27.7 mm-40 -67.1 -39.05 86.65 Favored 'General case' 0 C--O 1.225 -0.229 0 N-CA-C 109.097 -0.705 . . . . 0.0 109.097 176.703 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . 0.404 ' HG3' ' O ' ' A' ' 33' ' ' SER . 49.4 mt-10 -59.84 -47.93 83.72 Favored 'General case' 0 CA--C 1.512 -0.511 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.112 178.101 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 1.5 tm? -58.43 -46.59 86.19 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.406 -0.815 . . . . 0.0 109.574 -177.421 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 17.1 t70 -61.79 -44.28 97.19 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.841 -0.618 . . . . 0.0 111.683 178.944 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -67.98 -37.83 81.97 Favored 'General case' 0 C--N 1.313 -0.984 0 N-CA-C 112.351 0.5 . . . . 0.0 112.351 -177.975 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.433 ' HB3' HG12 ' A' ' 10' ' ' ILE . 11.0 mp -66.81 -36.77 83.14 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 120.783 0.325 . . . . 0.0 110.679 175.253 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 50.7 tp -66.31 -35.83 81.37 Favored 'General case' 0 C--O 1.239 0.5 0 CA-C-O 121.387 0.613 . . . . 0.0 109.846 177.995 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 19.3 m-80 -67.2 -17.78 64.97 Favored 'General case' 0 CA--C 1.503 -0.862 0 CA-C-N 115.581 -0.736 . . . . 0.0 112.338 178.163 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 96.0 mt -66.2 -35.07 79.47 Favored 'General case' 0 C--N 1.32 -0.693 0 N-CA-C 110.263 -0.273 . . . . 0.0 110.263 177.782 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.524 HD21 ' HB2' ' A' ' 7' ' ' ASN . 7.7 mp -73.25 -41.66 63.43 Favored 'General case' 0 CA--C 1.507 -0.692 0 CA-C-O 121.414 0.626 . . . . 0.0 109.579 175.222 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 65.4 mt -60.76 -29.8 45.85 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.762 0 CA-C-N 114.931 -1.031 . . . . 0.0 109.981 179.582 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . 0.535 ' O ' ' HG3' ' A' ' 51' ' ' LYS . 9.0 tp10 -59.75 -35.24 74.18 Favored 'General case' 0 CA--C 1.54 0.592 0 C-N-CA 123.919 0.888 . . . . 0.0 110.85 178.934 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -71.37 -34.92 70.88 Favored 'General case' 0 CA--C 1.516 -0.338 0 CA-C-O 121.376 0.608 . . . . 0.0 109.786 177.655 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 14.6 mmmm -72.02 -43.88 64.32 Favored 'General case' 0 C--N 1.309 -1.168 0 CA-C-N 115.323 -0.853 . . . . 0.0 110.546 -178.726 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 23.5 p -65.39 -16.35 63.53 Favored 'General case' 0 C--O 1.245 0.851 0 N-CA-C 113.519 0.933 . . . . 0.0 113.519 -178.92 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . 0.535 ' HG3' ' O ' ' A' ' 47' ' ' GLU . 61.3 mtpt -61.42 -41.03 96.52 Favored 'General case' 0 N--CA 1.438 -1.033 0 N-CA-C 108.184 -1.043 . . . . 0.0 108.184 173.579 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . 0.276 22.7 pttp 52.21 -6.59 0.01 OUTLIER 'General case' 0 N--CA 1.506 2.359 0 C-N-CA 127.697 2.399 . . . . 0.0 115.851 -178.098 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . 0.483 ' H ' ' C ' ' A' ' 51' ' ' LYS . 0.1 OUTLIER -87.7 25.68 1.45 Allowed 'General case' 0 C--N 1.294 -1.833 0 CA-C-O 121.985 0.898 . . . . 0.0 109.345 176.009 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 46.5 mtp180 -74.31 142.87 45.15 Favored 'General case' 0 N--CA 1.427 -1.614 0 N-CA-C 107.175 -1.417 . . . . 0.0 107.175 -178.907 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 97.5 m-85 -68.71 -19.37 64.36 Favored 'General case' 0 C--N 1.302 -1.473 0 N-CA-C 112.251 0.463 . . . . 0.0 112.251 -173.65 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 4.6 p -67.84 -23.16 65.13 Favored 'General case' 0 C--N 1.309 -1.191 0 CA-C-N 116.079 -0.51 . . . . 0.0 111.028 174.587 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 82.3 mt -96.51 -44.67 7.07 Favored 'General case' 0 N--CA 1.451 -0.409 0 CA-C-N 116.183 -0.462 . . . . 0.0 109.823 178.358 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 71.6 mt -75.82 -44.25 42.01 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-N 115.586 -0.734 . . . . 0.0 112.698 -175.211 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 48.2 mm-40 -108.09 -162.0 0.8 Allowed 'General case' 0 C--N 1.299 -1.624 0 N-CA-C 108.922 -0.77 . . . . 0.0 108.922 -174.3 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 40.0 m-70 -106.95 150.41 26.49 Favored 'General case' 0 C--N 1.291 -1.971 0 N-CA-C 107.686 -1.227 . . . . 0.0 107.686 172.863 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 16.3 m-70 73.34 167.45 0.31 Allowed 'General case' 0 C--N 1.32 -0.692 0 O-C-N 124.645 1.216 . . . . 0.0 111.19 -174.455 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 79.8 m80 -97.24 -2.56 42.49 Favored 'General case' 0 C--N 1.301 -1.532 0 CA-C-N 116.035 -0.529 . . . . 0.0 111.408 -176.488 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 59.9 t-80 -127.91 139.97 52.28 Favored 'General case' 0 C--N 1.299 -1.621 0 N-CA-C 108.502 -0.925 . . . . 0.0 108.502 -179.263 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 40.3 t60 . . . . . 0 C--N 1.302 -1.495 0 N-CA-C 108.389 -0.967 . . . . 0.0 108.389 179.371 . . . . . . . . 0 0 . 1 . 023 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 22.1 ptp . . . . . 0 CA--C 1.513 -0.469 0 N-CA-C 109.664 -0.495 . . . . 0.0 109.664 . . . . . . . . . 0 0 . 1 . 023 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 54.7 m-80 72.35 111.07 0.06 Allowed 'General case' 0 N--CA 1.481 1.088 0 C-N-CA 125.084 1.354 . . . . 0.0 111.749 -178.277 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 31.1 m -65.58 -28.02 43.14 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.668 0 CA-C-N 115.349 -0.841 . . . . 0.0 112.783 -173.822 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 9.9 t -65.19 -41.72 94.29 Favored 'General case' 0 N--CA 1.44 -0.972 0 C-N-CA 120.683 -0.407 . . . . 0.0 111.639 -179.84 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.475 ' O ' ' HG3' ' A' ' 9' ' ' ARG . 0.3 OUTLIER -78.13 -28.28 48.46 Favored 'General case' 0 N--CA 1.443 -0.801 0 C-N-CA 119.547 -0.861 . . . . 0.0 110.408 178.517 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.559 ' O ' HG13 ' A' ' 10' ' ' ILE . 56.0 tp -60.22 -52.19 66.34 Favored 'General case' 0 C--O 1.224 -0.254 0 N-CA-C 109.065 -0.717 . . . . 0.0 109.065 176.361 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . 0.423 ' C ' HD22 ' A' ' 7' ' ' ASN . 0.2 OUTLIER -62.26 -40.57 96.66 Favored 'General case' 0 C--O 1.24 0.564 0 CA-C-N 115.657 -0.701 . . . . 0.0 109.312 179.732 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 32.6 t70 -59.88 -47.19 86.76 Favored 'General case' 0 C--N 1.312 -1.028 0 CA-C-N 115.56 -0.745 . . . . 0.0 112.207 179.698 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . 0.475 ' HG3' ' O ' ' A' ' 5' ' ' LYS . 83.5 mtp180 -63.36 -35.05 79.11 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 120.963 0.411 . . . . 0.0 110.848 179.369 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.561 HG12 ' HB3' ' A' ' 41' ' ' LEU . 70.7 mt -64.0 -48.88 84.05 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.684 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.29 178.622 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 50.1 mt-10 -64.4 -31.55 72.8 Favored 'General case' 0 C--O 1.239 0.502 0 CA-C-O 120.835 0.35 . . . . 0.0 111.851 179.021 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -67.29 -37.09 82.84 Favored 'General case' 0 C--N 1.316 -0.859 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.503 176.804 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 83.5 mttt -77.3 -31.69 54.9 Favored 'General case' 0 CA--C 1.503 -0.83 0 C-N-CA 120.071 -0.652 . . . . 0.0 110.414 179.264 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.488 ' O ' HG13 ' A' ' 18' ' ' ILE . 55.0 mttm -60.2 -45.95 91.4 Favored 'General case' 0 C--N 1.317 -0.823 0 CA-C-N 115.764 -0.653 . . . . 0.0 110.93 175.435 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.95 -29.55 66.7 Favored 'General case' 0 N--CA 1.444 -0.728 0 C-N-CA 120.537 -0.465 . . . . 0.0 110.895 179.917 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.615 ' O ' ' HG ' ' A' ' 20' ' ' LEU . 16.6 tp10 -66.29 -45.04 81.78 Favored 'General case' 0 C--O 1.223 -0.301 0 N-CA-C 107.554 -1.276 . . . . 0.0 107.554 177.009 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.47 ' O ' HG23 ' A' ' 21' ' ' VAL . 34.1 tp -64.15 -40.39 96.06 Favored 'General case' 0 N--CA 1.438 -1.072 0 CA-C-N 114.871 -1.059 . . . . 0.0 110.433 179.39 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.51 ' O ' ' HG3' ' A' ' 22' ' ' GLU . 78.6 mt -58.98 -47.67 89.06 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.722 0 N-CA-C 109.771 -0.455 . . . . 0.0 109.771 176.395 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 55.2 t80 -53.58 -44.03 69.01 Favored 'General case' 0 C--O 1.244 0.8 0 C-N-CA 123.985 0.914 . . . . 0.0 109.857 177.323 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.615 ' HG ' ' O ' ' A' ' 16' ' ' GLU . 79.3 mt -65.94 -44.11 86.03 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 115.226 -0.897 . . . . 0.0 110.75 179.684 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.47 HG23 ' O ' ' A' ' 17' ' ' LEU . 84.9 t -64.02 -38.61 82.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 CA-C-N 116.508 -0.314 . . . . 0.0 110.457 179.406 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.51 ' HG3' ' O ' ' A' ' 18' ' ' ILE . 48.6 mt-10 -63.8 -50.85 67.34 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-O 121.032 0.444 . . . . 0.0 110.576 177.86 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 31.0 mmmt -80.1 -48.2 13.61 Favored 'General case' 0 C--N 1.315 -0.915 0 N-CA-C 114.292 1.219 . . . . 0.0 114.292 -173.455 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 57.8 m-85 -97.83 -43.21 7.22 Favored 'General case' 0 C--N 1.297 -1.688 0 CA-C-O 121.388 0.613 . . . . 0.0 110.379 -174.459 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 120.39 -166.44 13.72 Favored Glycine 0 N--CA 1.431 -1.665 0 N-CA-C 109.643 -1.383 . . . . 0.0 109.643 -176.166 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 41.7 p90 -115.2 1.86 13.94 Favored 'General case' 0 C--N 1.304 -1.375 0 CA-C-O 121.317 0.58 . . . . 0.0 111.715 -178.74 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 21.1 m -97.72 -2.88 40.28 Favored 'General case' 0 C--N 1.309 -1.158 0 CA-C-O 122.472 1.129 . . . . 0.0 108.825 178.471 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 49.8 t60 -78.68 128.45 33.47 Favored 'General case' 0 N--CA 1.439 -1.021 0 CA-C-N 114.535 -1.211 . . . . 0.0 108.612 -179.187 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 13.7 t-80 -53.47 -48.44 68.89 Favored 'General case' 0 N--CA 1.472 0.663 0 N-CA-C 114.18 1.178 . . . . 0.0 114.18 -171.073 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 22.1 pttm -66.84 -27.04 67.23 Favored 'General case' 0 C--O 1.216 -0.668 0 C-N-CA 119.246 -0.982 . . . . 0.0 112.904 -179.435 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.508 HG22 ' HB3' ' A' ' 20' ' ' LEU . 59.4 t -67.98 -41.71 84.84 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.897 0 N-CA-C 109.025 -0.731 . . . . 0.0 109.025 178.697 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 66.3 mt -66.4 -36.31 77.04 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.646 0 N-CA-C 108.918 -0.771 . . . . 0.0 108.918 176.92 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 22.6 t -60.84 -46.28 91.18 Favored 'General case' 0 N--CA 1.44 -0.966 0 CA-C-N 115.462 -0.79 . . . . 0.0 110.253 178.402 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 70.6 m-85 -66.53 -30.57 70.91 Favored 'General case' 0 CA--C 1.516 -0.354 0 N-CA-C 111.799 0.296 . . . . 0.0 111.799 177.792 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 23.0 t -61.6 -35.66 78.5 Favored 'General case' 0 C--O 1.244 0.772 0 N-CA-C 109.657 -0.497 . . . . 0.0 109.657 179.153 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 79.8 mm-40 -64.34 -41.13 96.94 Favored 'General case' 0 N--CA 1.465 0.316 0 CA-C-O 121.408 0.623 . . . . 0.0 109.559 175.922 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 28.0 mm-40 -64.36 -43.85 93.28 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.363 -0.835 . . . . 0.0 111.007 -179.926 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.55 ' O ' ' HG ' ' A' ' 42' ' ' LEU . 4.3 mm? -62.81 -40.36 97.14 Favored 'General case' 0 CA--C 1.51 -0.591 0 CA-C-N 115.991 -0.55 . . . . 0.0 111.134 176.663 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 16.8 t70 -57.86 -44.92 86.91 Favored 'General case' 0 N--CA 1.473 0.71 0 CA-C-O 121.511 0.672 . . . . 0.0 109.935 177.235 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 98.2 mtt180 -60.04 -43.24 95.47 Favored 'General case' 0 C--N 1.316 -0.853 0 CA-C-N 115.125 -0.943 . . . . 0.0 111.529 177.075 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.561 ' HB3' HG12 ' A' ' 10' ' ' ILE . 98.1 mt -69.17 -38.81 78.9 Favored 'General case' 0 C--N 1.318 -0.804 0 CA-C-N 116.042 -0.526 . . . . 0.0 111.361 179.328 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.55 ' HG ' ' O ' ' A' ' 38' ' ' LEU . 95.9 mt -60.55 -35.28 75.65 Favored 'General case' 0 C--N 1.317 -0.825 0 CA-C-O 121.191 0.52 . . . . 0.0 110.298 175.743 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . 0.414 ' HA ' HD12 ' A' ' 46' ' ' ILE . 24.2 m-80 -68.64 -18.34 64.28 Favored 'General case' 0 C--N 1.314 -0.951 0 CA-C-N 115.772 -0.649 . . . . 0.0 112.087 176.437 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.497 ' O ' ' HB2' ' A' ' 47' ' ' GLU . 97.5 mt -75.33 -40.64 58.12 Favored 'General case' 0 C--O 1.214 -0.806 0 N-CA-C 108.585 -0.894 . . . . 0.0 108.585 175.296 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 91.8 mt -62.59 -38.46 90.23 Favored 'General case' 0 C--O 1.239 0.55 0 CA-C-O 120.971 0.415 . . . . 0.0 110.024 174.828 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.414 HD12 ' HA ' ' A' ' 43' ' ' ASN . 70.4 mt -57.45 -38.81 65.12 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.277 0 CA-C-N 115.651 -0.704 . . . . 0.0 110.514 176.484 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . 0.497 ' HB2' ' O ' ' A' ' 44' ' ' LEU . 37.0 mm-40 -57.13 -32.84 66.76 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 115.994 -0.548 . . . . 0.0 112.264 177.575 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.489 ' HB3' ' HD3' ' A' ' 54' ' ' ARG . 3.0 mm? -77.42 -29.69 53.11 Favored 'General case' 0 C--O 1.241 0.631 0 CA-C-O 121.155 0.502 . . . . 0.0 110.816 177.977 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 94.3 mttt -69.96 -49.51 51.06 Favored 'General case' 0 C--N 1.316 -0.878 0 CA-C-O 121.445 0.64 . . . . 0.0 109.453 179.52 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 31.8 p -68.66 -21.85 64.43 Favored 'General case' 0 C--N 1.309 -1.158 0 CA-C-N 114.663 -1.153 . . . . 0.0 113.035 -174.543 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 48.8 mttp -73.67 -16.08 61.22 Favored 'General case' 0 C--N 1.319 -0.742 0 N-CA-C 112.571 0.582 . . . . 0.0 112.571 177.085 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 20.4 ptmt 54.78 11.85 0.51 Allowed 'General case' 0 N--CA 1.494 1.752 0 C-N-CA 125.943 1.697 . . . . 0.0 114.546 174.703 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 20.7 ptmt -95.67 7.32 46.63 Favored 'General case' 0 C--N 1.305 -1.327 0 CA-C-O 121.534 0.683 . . . . 0.0 111.844 -176.909 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . 0.489 ' HD3' ' HB3' ' A' ' 48' ' ' LEU . 62.3 mtm180 -93.63 170.91 9.23 Favored 'General case' 0 C--N 1.308 -1.216 0 N-CA-C 108.192 -1.04 . . . . 0.0 108.192 175.286 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 82.0 m-85 -77.34 3.89 12.05 Favored 'General case' 0 C--O 1.204 -1.314 0 N-CA-C 111.601 0.223 . . . . 0.0 111.601 178.293 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 31.4 t -62.74 -22.4 66.51 Favored 'General case' 0 CA--C 1.554 1.129 0 N-CA-C 113.418 0.895 . . . . 0.0 113.418 -176.43 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 79.6 mt -97.76 -8.85 27.68 Favored 'General case' 0 C--N 1.321 -0.671 0 C-N-CA 119.973 -0.691 . . . . 0.0 110.403 178.415 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 78.1 mt -96.35 -48.47 5.58 Favored 'General case' 0 C--N 1.307 -1.279 0 N-CA-C 107.174 -1.417 . . . . 0.0 107.174 -179.613 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 27.2 mm-40 -99.88 100.13 11.01 Favored 'General case' 0 N--CA 1.419 -2.019 0 N-CA-C 106.572 -1.64 . . . . 0.0 106.572 173.007 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 9.3 t-160 -66.58 119.86 12.44 Favored 'General case' 0 C--N 1.296 -1.737 0 CA-C-N 115.286 -0.87 . . . . 0.0 108.94 -175.172 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 49.2 t-80 -33.98 126.39 0.43 Allowed 'General case' 0 C--N 1.326 -0.425 0 C-N-CA 126.919 2.088 . . . . 0.0 113.719 -174.997 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 56.5 p-80 -52.82 117.41 2.92 Favored 'General case' 0 C--O 1.248 1.015 0 O-C-N 124.675 1.234 . . . . 0.0 110.757 179.602 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 45.4 m80 -73.89 122.65 22.86 Favored 'General case' 0 C--N 1.297 -1.677 0 CA-C-N 114.61 -1.177 . . . . 0.0 110.316 -176.597 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 80.0 t60 . . . . . 0 C--N 1.292 -1.916 0 N-CA-C 106.474 -1.676 . . . . 0.0 106.474 -178.735 . . . . . . . . 0 0 . 1 . 024 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.1 mmt . . . . . 0 CA--C 1.497 -1.084 0 N-CA-C 109.171 -0.677 . . . . 0.0 109.171 . . . . . . . . . 0 0 . 1 . 024 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 9.8 m120 -77.06 141.46 40.26 Favored 'General case' 0 C--N 1.311 -1.108 0 O-C-N 123.581 0.55 . . . . 0.0 109.835 176.856 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 30.7 m -65.01 -28.56 45.05 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.836 0 N-CA-C 112.812 0.671 . . . . 0.0 112.812 -176.118 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 14.3 t -66.19 -31.59 72.52 Favored 'General case' 0 CA--C 1.549 0.913 0 CA-C-O 121.164 0.507 . . . . 0.0 110.056 178.433 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 34.7 mmtp -78.43 -34.56 47.8 Favored 'General case' 0 CA--C 1.51 -0.565 0 CA-C-O 121.223 0.535 . . . . 0.0 109.79 179.973 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 31.9 tp -69.25 -39.94 78.15 Favored 'General case' 0 C--N 1.316 -0.864 0 N-CA-C 108.854 -0.795 . . . . 0.0 108.854 177.38 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 3.5 t-20 -66.02 -37.09 85.02 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.68 -0.691 . . . . 0.0 110.124 177.352 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 13.6 t70 -59.45 -39.89 85.07 Favored 'General case' 0 N--CA 1.474 0.755 0 CA-C-O 121.209 0.528 . . . . 0.0 109.744 175.948 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . 0.585 ' O ' ' HG2' ' A' ' 13' ' ' LYS . 81.3 mtp180 -64.32 -38.51 91.3 Favored 'General case' 0 C--O 1.215 -0.732 0 CA-C-N 115.582 -0.736 . . . . 0.0 110.551 176.966 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 77.5 mt -61.29 -45.18 99.12 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.643 0 CA-C-O 121.435 0.636 . . . . 0.0 109.378 176.081 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 35.9 tt0 -62.36 -39.1 92.05 Favored 'General case' 0 C--N 1.313 -1.015 0 CA-C-N 115.234 -0.894 . . . . 0.0 109.726 178.81 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -66.21 -26.75 67.53 Favored 'General case' 0 C--N 1.31 -1.148 0 CA-C-N 115.397 -0.82 . . . . 0.0 110.976 177.252 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.585 ' HG2' ' O ' ' A' ' 9' ' ' ARG . 74.4 mmtt -77.06 -33.86 57.13 Favored 'General case' 0 CA--C 1.504 -0.817 0 N-CA-C 108.901 -0.777 . . . . 0.0 108.901 178.207 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 72.0 mmtt -57.84 -53.77 54.41 Favored 'General case' 0 CA--C 1.513 -0.443 0 N-CA-C 108.377 -0.971 . . . . 0.0 108.377 176.303 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 32.0 mmmt -64.33 -35.56 81.25 Favored 'General case' 0 C--N 1.313 -1.02 0 CA-C-N 114.164 -1.38 . . . . 0.0 111.931 -176.884 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.43 ' O ' ' HG ' ' A' ' 20' ' ' LEU . 4.1 tp10 -76.54 -47.38 22.86 Favored 'General case' 0 C--N 1.309 -1.168 0 CA-C-N 116.274 -0.421 . . . . 0.0 109.953 -176.734 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.49 ' O ' HG23 ' A' ' 21' ' ' VAL . 50.4 tp -62.51 -50.26 72.09 Favored 'General case' 0 N--CA 1.443 -0.788 0 CA-C-N 115.732 -0.667 . . . . 0.0 111.462 -176.844 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.516 ' O ' ' HG3' ' A' ' 22' ' ' GLU . 74.2 mt -59.47 -42.96 89.5 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.187 0 O-C-N 123.3 0.375 . . . . 0.0 110.082 -178.798 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 77.3 t80 -57.92 -42.47 84.88 Favored 'General case' 0 C--O 1.246 0.871 0 C-N-CA 123.669 0.788 . . . . 0.0 110.482 179.526 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.43 ' HG ' ' O ' ' A' ' 16' ' ' GLU . 81.1 mt -74.42 -32.81 62.8 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.378 179.439 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.49 HG23 ' O ' ' A' ' 17' ' ' LEU . 92.7 t -66.28 -34.19 68.5 Favored 'Isoleucine or valine' 0 C--O 1.24 0.57 0 CA-C-O 121.005 0.431 . . . . 0.0 110.088 176.743 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.516 ' HG3' ' O ' ' A' ' 18' ' ' ILE . 34.6 mt-10 -68.6 -48.0 65.27 Favored 'General case' 0 C--N 1.318 -0.776 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.846 177.323 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 67.6 mttm -82.19 -47.9 11.94 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 114.029 1.122 . . . . 0.0 114.029 -175.912 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 95.9 m-85 -100.18 -45.03 5.76 Favored 'General case' 0 C--N 1.304 -1.385 0 CA-C-O 121.109 0.48 . . . . 0.0 110.497 -176.456 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 100.68 155.42 27.36 Favored Glycine 0 C--N 1.298 -1.537 0 CA-C-N 115.386 -0.825 . . . . 0.0 111.565 -177.138 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 49.8 t80 -83.22 81.02 8.88 Favored 'General case' 0 C--N 1.308 -1.207 0 N-CA-C 108.693 -0.854 . . . . 0.0 108.693 -179.036 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 27.7 m -133.79 -60.55 0.82 Allowed 'General case' 0 C--N 1.303 -1.417 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.351 -179.197 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . 0.432 ' CD2' ' HB3' ' A' ' 30' ' ' LYS . 3.1 p-80 -74.23 154.7 38.89 Favored 'General case' 0 C--O 1.254 1.294 0 C-N-CA 120.594 -0.442 . . . . 0.0 111.514 179.648 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 72.3 m80 -62.18 -22.48 65.93 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 114.543 1.312 . . . . 0.0 114.543 -173.156 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.432 ' HB3' ' CD2' ' A' ' 28' ' ' HIS . 24.6 ttpp -61.1 -47.56 85.74 Favored 'General case' 0 C--N 1.323 -0.546 0 C-N-CA 120.592 -0.443 . . . . 0.0 111.133 175.17 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 58.9 t -67.4 -35.57 73.94 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.626 0 N-CA-C 109.025 -0.731 . . . . 0.0 109.025 179.101 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 57.9 mt -64.18 -37.12 79.07 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.039 0 CA-C-N 115.566 -0.743 . . . . 0.0 110.766 178.352 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 88.0 p -64.13 -36.03 82.69 Favored 'General case' 0 C--N 1.341 0.236 0 O-C-N 122.24 -0.288 . . . . 0.0 111.37 179.906 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . 0.463 ' HB2' HD13 ' A' ' 17' ' ' LEU . 71.1 m-85 -63.76 -38.01 89.5 Favored 'General case' 0 CA--C 1.508 -0.654 0 C-N-CA 120.854 -0.338 . . . . 0.0 110.842 177.041 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 32.9 t -65.47 -40.69 93.46 Favored 'General case' 0 N--CA 1.44 -0.932 0 CA-C-N 116.124 -0.489 . . . . 0.0 109.834 179.032 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 45.4 mt-30 -69.81 -32.66 71.23 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.658 179.25 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 42.6 tt0 -72.26 -43.75 63.84 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.907 -0.588 . . . . 0.0 109.955 179.096 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.58 HD23 ' HB2' ' A' ' 13' ' ' LYS . 2.8 tm? -53.37 -51.6 61.96 Favored 'General case' 0 N--CA 1.473 0.718 0 C-N-CA 123.809 0.843 . . . . 0.0 108.739 175.199 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 17.7 t70 -60.09 -42.37 94.49 Favored 'General case' 0 C--N 1.311 -1.1 0 CA-C-N 114.259 -1.337 . . . . 0.0 111.686 179.265 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 32.8 ttt180 -72.15 -39.84 68.44 Favored 'General case' 0 C--N 1.314 -0.968 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.729 -175.902 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 10.8 mp -66.06 -32.85 74.55 Favored 'General case' 0 CA--C 1.515 -0.384 0 CA-C-O 120.771 0.319 . . . . 0.0 111.155 177.675 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 6.4 tt -67.18 -39.84 86.48 Favored 'General case' 0 C--N 1.319 -0.735 0 N-CA-C 108.25 -1.018 . . . . 0.0 108.25 176.845 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 18.9 m-80 -66.94 -23.43 65.96 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.658 -0.701 . . . . 0.0 112.55 177.808 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 87.7 mt -63.35 -39.05 93.47 Favored 'General case' 0 C--O 1.242 0.662 0 CA-C-O 120.562 0.22 . . . . 0.0 111.079 178.379 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 8.0 mp -68.98 -42.01 77.13 Favored 'General case' 0 CA--C 1.514 -0.42 0 N-CA-C 109.747 -0.464 . . . . 0.0 109.747 177.452 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 69.2 mt -59.16 -43.23 88.98 Favored 'Isoleucine or valine' 0 C--O 1.245 0.85 0 CA-C-N 115.595 -0.73 . . . . 0.0 109.621 178.668 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . 0.501 ' HG2' ' HD3' ' A' ' 51' ' ' LYS . 29.5 tt0 -61.77 -51.56 67.82 Favored 'General case' 0 N--CA 1.442 -0.841 0 CA-C-N 115.539 -0.755 . . . . 0.0 110.241 178.341 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 18.8 tp -61.13 -35.89 78.28 Favored 'General case' 0 C--O 1.24 0.567 0 N-CA-C 112.749 0.648 . . . . 0.0 112.749 -176.038 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 14.4 mmmm -72.46 -51.0 22.11 Favored 'General case' 0 C--N 1.315 -0.912 0 C-N-CA 120.671 -0.412 . . . . 0.0 111.06 178.573 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 12.2 m -70.28 -18.68 63.13 Favored 'General case' 0 CA--C 1.547 0.828 0 CA-C-N 115.984 -0.553 . . . . 0.0 111.55 -176.25 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . 0.501 ' HD3' ' HG2' ' A' ' 47' ' ' GLU . 5.7 tptm -56.78 -33.68 66.89 Favored 'General case' 0 C--N 1.341 0.222 0 C-N-CA 124.042 0.937 . . . . 0.0 109.866 -178.925 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . 0.467 ' C ' ' H ' ' A' ' 54' ' ' ARG . 61.7 pttt 53.53 -5.11 0.01 OUTLIER 'General case' 0 N--CA 1.504 2.263 0 C-N-CA 127.537 2.335 . . . . 0.0 116.609 176.754 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.63 34.42 0.22 Allowed 'General case' 0 C--N 1.303 -1.414 0 C-N-CA 124.678 1.191 . . . . 0.0 109.739 177.438 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . 0.467 ' H ' ' C ' ' A' ' 52' ' ' LYS . 38.5 mtp85 -94.87 116.12 28.32 Favored 'General case' 0 N--CA 1.407 -2.589 0 N-CA-C 107.782 -1.192 . . . . 0.0 107.782 -176.929 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 3.0 p90 -57.33 -20.45 28.84 Favored 'General case' 0 C--O 1.215 -0.722 0 N-CA-C 112.385 0.513 . . . . 0.0 112.385 178.334 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . 0.491 ' O ' ' HB3' ' A' ' 60' ' ' HIS . 4.8 p -70.42 -25.23 63.12 Favored 'General case' 0 N--CA 1.428 -1.554 0 C-N-CA 123.588 0.755 . . . . 0.0 111.048 176.408 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 93.2 mt -84.86 -36.13 21.77 Favored 'General case' 0 CA--C 1.511 -0.55 0 N-CA-C 108.468 -0.938 . . . . 0.0 108.468 175.888 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 68.6 mt -75.12 -48.53 23.27 Favored 'General case' 0 C--N 1.31 -1.116 0 CA-C-N 114.447 -1.251 . . . . 0.0 111.747 -174.46 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -137.86 78.65 1.7 Allowed 'General case' 0 N--CA 1.423 -1.814 0 CA-C-O 122.123 0.963 . . . . 0.0 112.918 -179.064 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 60' ' ' HIS . . . . . 0.491 ' HB3' ' O ' ' A' ' 56' ' ' SER . 19.8 p80 -104.34 10.18 35.56 Favored 'General case' 0 C--N 1.312 -1.034 0 N-CA-C 107.665 -1.235 . . . . 0.0 107.665 173.35 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 60.7 t-80 -78.17 131.16 37.08 Favored 'General case' 0 N--CA 1.427 -1.599 0 CA-C-N 113.367 -1.742 . . . . 0.0 109.112 -175.993 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 56.7 m80 -83.66 86.59 7.1 Favored 'General case' 0 C--N 1.303 -1.416 0 CA-C-O 121.791 0.805 . . . . 0.0 110.812 178.187 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 1.3 p-80 -106.71 135.6 47.96 Favored 'General case' 0 C--N 1.293 -1.884 0 CA-C-N 114.346 -1.297 . . . . 0.0 109.562 177.463 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 48.8 m-70 . . . . . 0 N--CA 1.418 -2.046 0 N-CA-C 109.055 -0.72 . . . . 0.0 109.055 -177.138 . . . . . . . . 0 0 . 1 . 025 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 65.2 mtt . . . . . 0 N--CA 1.471 0.59 0 CA-C-O 120.496 0.189 . . . . 0.0 111.218 . . . . . . . . . 0 0 . 1 . 025 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . 0.614 ' O ' ' HG2' ' A' ' 5' ' ' LYS . 14.6 m120 -136.66 117.86 14.5 Favored 'General case' 0 CA--C 1.513 -0.48 0 N-CA-C 108.515 -0.92 . . . . 0.0 108.515 -175.292 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 27.8 m -57.95 -24.1 22.65 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.14 0 N-CA-C 113.144 0.794 . . . . 0.0 113.144 -176.492 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 14.1 t -63.09 -31.0 72.04 Favored 'General case' 0 N--CA 1.44 -0.974 0 CA-C-N 116.693 -0.231 . . . . 0.0 111.251 -179.964 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.614 ' HG2' ' O ' ' A' ' 2' ' ' ASN . 0.0 OUTLIER -70.46 -27.46 64.25 Favored 'General case' 0 C--N 1.348 0.517 0 CA-C-O 121.203 0.525 . . . . 0.0 109.845 -179.06 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.587 ' O ' ' HG2' ' A' ' 9' ' ' ARG . 47.9 tp -68.32 -46.35 70.49 Favored 'General case' 0 N--CA 1.437 -1.117 0 N-CA-C 109.346 -0.613 . . . . 0.0 109.346 178.443 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 52.0 t30 -67.59 -36.2 80.43 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-O 121.405 0.622 . . . . 0.0 109.475 178.482 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 9.5 t70 -55.3 -43.55 74.91 Favored 'General case' 0 C--O 1.244 0.786 0 CA-C-N 115.245 -0.889 . . . . 0.0 111.679 176.55 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . 0.587 ' HG2' ' O ' ' A' ' 6' ' ' LEU . 9.7 ptp180 -70.89 -29.47 65.56 Favored 'General case' 0 C--N 1.339 0.142 0 C-N-CA 120.237 -0.585 . . . . 0.0 110.059 -178.635 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.489 HG12 ' HB3' ' A' ' 41' ' ' LEU . 71.5 mt -70.1 -46.73 71.59 Favored 'Isoleucine or valine' 0 CA--C 1.505 -0.769 0 N-CA-C 109.163 -0.68 . . . . 0.0 109.163 179.273 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 27.3 tt0 -59.81 -38.92 83.31 Favored 'General case' 0 C--O 1.245 0.821 0 CA-C-O 121.451 0.643 . . . . 0.0 110.279 -179.163 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -72.37 -33.65 67.38 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 115.426 -0.806 . . . . 0.0 111.043 178.863 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 47.8 tptt -76.88 -39.38 51.23 Favored 'General case' 0 C--N 1.31 -1.136 0 C-N-CA 120.562 -0.455 . . . . 0.0 110.163 -177.788 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.483 ' HA ' HD11 ' A' ' 38' ' ' LEU . 18.1 ptmt -69.94 -32.03 70.09 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-N 116.409 -0.36 . . . . 0.0 111.747 -179.838 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 22.7 ptmt -70.78 -33.59 70.91 Favored 'General case' 0 N--CA 1.454 -0.255 0 C-N-CA 119.537 -0.865 . . . . 0.0 110.604 176.343 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 39.4 tt0 -65.64 -41.0 93.1 Favored 'General case' 0 C--O 1.239 0.519 0 CA-C-N 115.809 -0.632 . . . . 0.0 109.447 176.557 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.46 ' O ' HG23 ' A' ' 21' ' ' VAL . 61.5 tp -59.93 -52.36 65.74 Favored 'General case' 0 C--O 1.211 -0.93 0 CA-C-N 115.586 -0.734 . . . . 0.0 110.455 178.24 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.416 HG13 ' O ' ' A' ' 14' ' ' LYS . 91.2 mt -54.85 -43.79 69.33 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.968 0 C-N-CA 123.141 0.576 . . . . 0.0 110.883 -179.259 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 80.9 t80 -56.93 -49.0 76.97 Favored 'General case' 0 C--O 1.251 1.155 0 C-N-CA 124.05 0.94 . . . . 0.0 110.111 177.933 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 92.6 mt -72.86 -30.96 64.39 Favored 'General case' 0 C--N 1.314 -0.973 0 CA-C-N 115.352 -0.84 . . . . 0.0 111.372 -178.893 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.46 HG23 ' O ' ' A' ' 17' ' ' LEU . 52.4 t -59.09 -43.71 89.85 Favored 'Isoleucine or valine' 0 C--O 1.242 0.687 0 C-N-CA 122.754 0.421 . . . . 0.0 110.719 175.686 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 38.9 mt-10 -62.88 -42.63 99.84 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.441 -0.345 . . . . 0.0 110.548 179.27 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 66.2 mttm -82.73 -47.77 11.6 Favored 'General case' 0 C--N 1.316 -0.859 0 N-CA-C 114.193 1.183 . . . . 0.0 114.193 -175.382 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 99.1 m-85 -99.48 -26.47 14.1 Favored 'General case' 0 C--N 1.313 -0.983 0 N-CA-C 114.249 1.203 . . . . 0.0 114.249 -171.177 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . 0.432 ' O ' ' HA ' ' A' ' 21' ' ' VAL . . . 140.4 171.93 12.66 Favored Glycine 0 N--CA 1.434 -1.451 0 C-N-CA 119.041 -1.552 . . . . 0.0 112.849 178.119 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 79.5 m-85 -86.58 -23.46 25.77 Favored 'General case' 0 C--N 1.306 -1.317 0 CA-C-O 121.186 0.517 . . . . 0.0 109.91 -177.643 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 5.9 t -150.43 103.44 3.14 Favored 'General case' 0 N--CA 1.411 -2.406 0 CA-C-O 122.333 1.064 . . . . 0.0 108.601 179.921 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 83.8 t60 -148.05 158.5 44.1 Favored 'General case' 0 C--N 1.289 -2.065 0 N-CA-C 106.704 -1.591 . . . . 0.0 106.704 -179.026 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 98.1 m-70 -48.21 -50.21 30.11 Favored 'General case' 0 N--CA 1.49 1.571 0 C-N-CA 123.688 0.795 . . . . 0.0 112.187 -177.09 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 48.5 mmtm -57.68 -55.52 33.77 Favored 'General case' 0 N--CA 1.466 0.37 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.101 177.772 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 96.5 t -54.97 -47.77 76.17 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.65 0 CA-C-N 114.777 -1.101 . . . . 0.0 111.535 -176.923 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 81.0 mt -61.8 -41.58 91.19 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 C-N-CA 122.314 0.246 . . . . 0.0 110.74 -179.64 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 45.0 m -61.72 -37.59 84.77 Favored 'General case' 0 CA--C 1.551 0.995 0 CA-C-O 121.199 0.523 . . . . 0.0 111.236 -179.716 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . 0.455 ' HB2' HD13 ' A' ' 17' ' ' LEU . 45.3 m-85 -76.91 -31.88 57.02 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.891 0.377 . . . . 0.0 110.621 178.348 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 43.3 m -67.92 -42.26 81.35 Favored 'General case' 0 C--N 1.318 -0.785 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.512 179.766 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 13.5 mm-40 -66.78 -28.65 68.56 Favored 'General case' 0 C--O 1.239 0.532 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.465 178.954 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . 0.566 ' O ' ' HG ' ' A' ' 41' ' ' LEU . 7.4 tp10 -67.45 -43.89 80.0 Favored 'General case' 0 N--CA 1.433 -1.312 0 N-CA-C 108.329 -0.989 . . . . 0.0 108.329 177.028 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.483 HD11 ' HA ' ' A' ' 14' ' ' LYS . 63.7 mt -62.64 -41.83 99.26 Favored 'General case' 0 CA--C 1.495 -1.136 0 CA-C-N 115.966 -0.561 . . . . 0.0 111.591 177.531 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 17.2 t70 -57.82 -43.16 85.55 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-O 121.503 0.668 . . . . 0.0 109.363 178.108 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . 0.429 ' HD3' ' OE2' ' A' ' 37' ' ' GLU . 42.8 ttt180 -65.9 -47.01 76.23 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 114.531 -1.213 . . . . 0.0 110.831 178.391 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.566 ' HG ' ' O ' ' A' ' 37' ' ' GLU . 80.5 mt -66.7 -41.03 88.66 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 120.774 0.321 . . . . 0.0 110.857 -179.013 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 49.4 tp -60.46 -34.28 73.79 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 121.286 0.565 . . . . 0.0 109.93 175.167 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 8.8 t-20 -68.5 -27.59 66.26 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-N 115.652 -0.703 . . . . 0.0 109.933 -178.702 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 84.4 mt -67.55 -31.55 71.71 Favored 'General case' 0 C--N 1.315 -0.92 0 CA-C-N 115.786 -0.643 . . . . 0.0 109.737 177.329 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 87.1 mt -71.8 -32.65 67.83 Favored 'General case' 0 C--O 1.237 0.396 0 N-CA-C 109.047 -0.723 . . . . 0.0 109.047 174.359 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 75.4 mt -67.36 -26.21 35.42 Favored 'Isoleucine or valine' 0 C--O 1.243 0.748 0 CA-C-N 115.65 -0.705 . . . . 0.0 109.734 176.897 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 7.5 tp10 -63.56 -42.04 98.37 Favored 'General case' 0 C--N 1.316 -0.869 0 N-CA-C 108.765 -0.828 . . . . 0.0 108.765 175.632 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -64.39 -36.95 85.81 Favored 'General case' 0 N--CA 1.47 0.539 0 CA-C-O 120.955 0.407 . . . . 0.0 110.211 175.633 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 65.7 mttm -63.09 -34.41 77.54 Favored 'General case' 0 N--CA 1.468 0.45 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.399 176.204 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 56.8 m -73.11 -41.77 63.64 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.315 178.947 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 97.1 mttt -64.14 -31.6 72.86 Favored 'General case' 0 C--O 1.221 -0.412 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.149 178.192 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . 0.557 ' HB2' ' HG ' ' A' ' 57' ' ' LEU . 62.8 pttt 52.21 16.9 0.63 Allowed 'General case' 0 N--CA 1.495 1.822 0 C-N-CA 126.678 1.991 . . . . 0.0 114.213 172.809 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 12.4 ptmm? -92.84 -4.87 52.19 Favored 'General case' 0 C--N 1.293 -1.869 0 N-CA-C 112.606 0.595 . . . . 0.0 112.606 -175.497 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 48.4 mtm180 -77.12 160.72 28.8 Favored 'General case' 0 C--N 1.318 -0.794 0 C-N-CA 119.949 -0.7 . . . . 0.0 109.257 178.458 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 35.4 m-85 -64.12 -7.79 10.05 Favored 'General case' 0 N--CA 1.473 0.699 0 N-CA-C 113.748 1.018 . . . . 0.0 113.748 -173.309 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 15.4 m -69.01 -19.82 64.13 Favored 'General case' 0 C--N 1.308 -1.207 0 CA-C-O 120.853 0.359 . . . . 0.0 111.107 177.86 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.557 ' HG ' ' HB2' ' A' ' 52' ' ' LYS . 3.8 mm? -92.4 8.79 36.99 Favored 'General case' 0 C--N 1.319 -0.73 0 N-CA-C 112.896 0.702 . . . . 0.0 112.896 -177.494 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 95.7 mt -67.99 -25.53 65.47 Favored 'General case' 0 CA--C 1.514 -0.434 0 N-CA-C 107.623 -1.251 . . . . 0.0 107.623 171.93 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 -116.45 104.24 11.25 Favored 'General case' 0 N--CA 1.41 -2.43 0 CA-C-N 113.774 -1.557 . . . . 0.0 107.479 173.691 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 69.7 m-70 -73.53 168.38 19.4 Favored 'General case' 0 C--N 1.3 -1.566 0 CA-C-N 115.355 -0.838 . . . . 0.0 111.892 -174.376 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 90.0 m-70 -77.11 168.87 19.35 Favored 'General case' 0 C--N 1.301 -1.527 0 CA-C-N 115.595 -0.729 . . . . 0.0 109.156 178.248 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 29.7 t-80 -71.7 -28.02 63.42 Favored 'General case' 0 C--N 1.317 -0.838 0 N-CA-C 108.552 -0.907 . . . . 0.0 108.552 179.984 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 42.5 m80 -79.9 80.99 6.24 Favored 'General case' 0 C--O 1.248 1.006 0 N-CA-C 109.047 -0.723 . . . . 0.0 109.047 173.058 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 58.2 t-80 . . . . . 0 C--N 1.303 -1.442 0 N-CA-C 108.005 -1.109 . . . . 0.0 108.005 -179.024 . . . . . . . . 0 0 . 1 stop_ save_